Compound C42H22N2O6

1,5-bis[(9,10-dioxoanthracen-1-yl)amino]anthracene-9,10-dione

CAS: 117-03-3

Molecular Formula	`C42H22N2O6`
Molecular Weight	650.6 g/mol
LogP	8.9
Topological Polar Surface Area	126.0 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	8
Rotatable Bonds	4
Exact Mass	650.14777
Heavy Atoms	50
Complexity	1330.0

Chemical Identifiers

CAS Number	117-03-3
SMILES	`C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=CC=C3)NC4=CC=CC5=C4C(=O)C6=C(C5=O)C(=CC=C6)NC7=CC=CC8=C7C(=O)C9=CC=CC=C9C8=O`
InChIKey	`DGJRQADQCOOLLL-UHFFFAOYSA-N`

📖 Product Overview

Compound C42H22N2O6 (CAS: 117-03-3) is a chemical compound with molecular formula C42H22N2O6 and molecular weight 650.6 g/mol. Its IUPAC systematic name is 1,5-bis[(9,10-dioxoanthracen-1-yl)amino]anthracene-9,10-dione. LogP 8.9 Topological Polar Surface Area 126.0 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 8 Rotatable Bonds 4 Exact Mass 650.14777 Heavy Atoms 50 Complexity 1330.0 InChI Key: DGJRQADQCOOLLL-UHFFFAOYSA-N. SMILES: C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=CC=C3)NC4=CC=CC5=C4C(=O)C6=C(C5=O)C(=CC=C6)NC7=CC=CC8=C7C(=O)C9=CC=CC=C9C8=O.

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