EINECS 225-590-9

7,18-bis(3,5-dimethylphenyl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone

CAS: 4948-15-6

Molecular Formula	`C40H26N2O4`
Molecular Weight	598.6 g/mol
LogP	8.3
Topological Polar Surface Area	74.8 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	4
Rotatable Bonds	2
Exact Mass	598.1893
Heavy Atoms	46
Complexity	1130.0

Chemical Identifiers

CAS Number	4948-15-6
SMILES	`CC1=CC(=CC(=C1)N2C(=O)C3=C4C(=CC=C5C4=C(C=C3)C6=C7C5=CC=C8C7=C(C=C6)C(=O)N(C8=O)C9=CC(=CC(=C9)C)C)C2=O)C`
InChIKey	`FDXVHZCFTCIKDD-UHFFFAOYSA-N`

📖 Product Overview

EINECS 225-590-9 (CAS: 4948-15-6) is a chemical compound with molecular formula C40H26N2O4 and molecular weight 598.6 g/mol. Its IUPAC systematic name is 7,18-bis(3,5-dimethylphenyl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone. LogP 8.3 Topological Polar Surface Area 74.8 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 4 Rotatable Bonds 2 Exact Mass 598.1893 Heavy Atoms 46 Complexity 1130.0 InChI Key: FDXVHZCFTCIKDD-UHFFFAOYSA-N. SMILES: CC1=CC(=CC(=C1)N2C(=O)C3=C4C(=CC=C5C4=C(C=C3)C6=C7C5=CC=C8C7=C(C=C6)C(=O)N(C8=O)C9=CC(=CC(=C9)C)C)C2=O)C.

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