Xanthylium, 3,6-bis(diethylamino)-9-(2-(methoxycarbonyl)phenyl)-

[6-(diethylamino)-9-(2-methoxycarbonylphenyl)xanthen-3-ylidene]-diethylazanium

CAS: 47742-71-2

Molecular Formula	`C29H33N2O3+`
Molecular Weight	457.6 g/mol
LogP	4.7
Topological Polar Surface Area	41.8 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	4
Rotatable Bonds	8
Exact Mass	457.2491
Heavy Atoms	34
Complexity	826.0

Chemical Identifiers

CAS Number	47742-71-2
SMILES	`CCN(CC)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](CC)CC)C=C3O2)C4=CC=CC=C4C(=O)OC`
InChIKey	`CKMFJWCEQQYCLE-UHFFFAOYSA-N`

📖 Product Overview

Xanthylium, 3,6-bis(diethylamino)-9-(2-(methoxycarbonyl)phenyl)- (CAS: 47742-71-2) is a chemical compound with molecular formula C29H33N2O3+ and molecular weight 457.6 g/mol. Its IUPAC systematic name is [6-(diethylamino)-9-(2-methoxycarbonylphenyl)xanthen-3-ylidene]-diethylazanium. LogP 4.7 Topological Polar Surface Area 41.8 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 4 Rotatable Bonds 8 Exact Mass 457.2491 Heavy Atoms 34 Complexity 826.0 InChI Key: CKMFJWCEQQYCLE-UHFFFAOYSA-N. SMILES: CCN(CC)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](CC)CC)C=C3O2)C4=CC=CC=C4C(=O)OC.

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