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1,1,3-trimethyl-2-[3-(1,3,3-trimethylindol-2-ylidene)prop-1-enyl]benzo[e]indol-3-ium structure
Fine Chemical

1,1,3-trimethyl-2-[3-(1,3,3-trimethylindol-2-ylidene)prop-1-enyl]benzo[e]indol-3-ium

TL;DR: 1,1,3-trimethyl-2-[3-(1,3,3-trimethylindol-2-ylidene)prop-1-enyl]benzo[e]indol-3-ium (CAS 123071-49-8) is a chemical compound with molecular formula C29H31N2+ and molecular weight 407.24872 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

1,1,3-trimethyl-2-[3-(1,3,3-trimethylindol-2-ylidene)prop-1-enyl]benzo[e]indol-3-ium

Also Known As: 1,1,3-trimethyl-2-[3-(1,3,3-trimethylindol-2-ylidene)prop-1-enyl]benzo[e]indol-3-ium, 1,1,3-Trimethyl-2-[3-(1,3,3-trimethyl-1,3-dihydro-2H-indol-2-ylidene)prop-1-en-1-yl]-1H-benzo[e]indol-3-ium, 2-[3-(1,3-Dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)-1-propen-1-yl]-1,1,3-trimethyl-1H-benz[e]indolium

CAS Number
123071-49-8
Molecular Formula
C29H31N2+
Molecular Weight
407.24872 g/mol
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Technical Specifications

Molecular FormulaC29H31N2+
Molecular Weight407.24872 g/mol
XLogP6.9
Topological Polar Surface Area (TPSA)6.3 Ų
Hydrogen Bond Donors0
Hydrogen Bond Acceptors1
Rotatable Bonds2
Exact Mass407.24872 Da
Heavy Atoms31
Complexity798.0
SMILESCC1(C2=CC=CC=C2N(C1=CC=CC3=[N+](C4=C(C3(C)C)C5=CC=CC=C5C=C4)C)C)C
InChIKeyCAQVGTGTLHVPML-UHFFFAOYSA-N

Chemical Property Profile of 1,1,3-trimethyl-2-[3-(1,3,3-trimethylindol-2-ylidene)prop-1-enyl]benzo[e]indol-3-ium

XLogP
6.9
TPSA (Topological Polar Surface Area)
6.3
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
1
Rotatable Bonds
2
Heavy Atoms
31
Complexity
798.0
Exact Mass
407.24872
Monoisotopic Mass
407.24872
Data Source: Chemical property values are referenced from PubChem, the world's largest open chemistry database maintained by the National Center for Biotechnology Information (NCBI), U.S. National Library of Medicine.

Property Insights of 1,1,3-trimethyl-2-[3-(1,3,3-trimethylindol-2-ylidene)prop-1-enyl]benzo[e]indol-3-ium

The XLogP value of 6.9 indicates that 1,1,3-trimethyl-2-[3-(1,3,3-trimethylindol-2-ylidene)prop-1-enyl]benzo[e]indol-3-ium is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 6.3 Ų, 1,1,3-trimethyl-2-[3-(1,3,3-trimethylindol-2-ylidene)prop-1-enyl]benzo[e]indol-3-ium exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1,3-trimethyl-2-[3-(1,3,3-trimethylindol-2-ylidene)prop-1-enyl]benzo[e]indol-3-ium has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.

Frequently Asked Questions

What is the CAS number of 1,1,3-trimethyl-2-[3-(1,3,3-trimethylindol-2-ylidene)prop-1-enyl]benzo[e]indol-3-ium?

The CAS number of 1,1,3-trimethyl-2-[3-(1,3,3-trimethylindol-2-ylidene)prop-1-enyl]benzo[e]indol-3-ium is 123071-49-8.

What is the molecular formula of 1,1,3-trimethyl-2-[3-(1,3,3-trimethylindol-2-ylidene)prop-1-enyl]benzo[e]indol-3-ium?

The molecular formula of 1,1,3-trimethyl-2-[3-(1,3,3-trimethylindol-2-ylidene)prop-1-enyl]benzo[e]indol-3-ium is C29H31N2+.

What is the molecular weight of 1,1,3-trimethyl-2-[3-(1,3,3-trimethylindol-2-ylidene)prop-1-enyl]benzo[e]indol-3-ium?

The molecular weight of 1,1,3-trimethyl-2-[3-(1,3,3-trimethylindol-2-ylidene)prop-1-enyl]benzo[e]indol-3-ium is 407.24872 g/mol.

Where can I buy 1,1,3-trimethyl-2-[3-(1,3,3-trimethylindol-2-ylidene)prop-1-enyl]benzo[e]indol-3-ium?

You can request a quote for 1,1,3-trimethyl-2-[3-(1,3,3-trimethylindol-2-ylidene)prop-1-enyl]benzo[e]indol-3-ium directly from CoreyChem. Contact us or email [email protected] for pricing and availability.

Does CoreyChem offer custom synthesis for 1,1,3-trimethyl-2-[3-(1,3,3-trimethylindol-2-ylidene)prop-1-enyl]benzo[e]indol-3-ium?

Yes, CoreyChem provides custom synthesis services for 1,1,3-trimethyl-2-[3-(1,3,3-trimethylindol-2-ylidene)prop-1-enyl]benzo[e]indol-3-ium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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