AC1LM4OD

3-[13-(3-carboxyphenyl)-5,7,12,14-tetraoxo-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaen-6-yl]benzoic acid

Also Known As: ChemDiv1_002435|Oprea1_868200|HMS593O15|BAS 00332573|J2.462.672E|3,3'-(1,3,6,8-tetraoxobenzo[lmn][3,8]phenanthroline-2,7(1H,3H,6H,8H)-diyl)dibenzoic acid|3,3 -(1,3,6,8-Tetraoxo-1,2,3,6,7,8-hexahydrobenzo[lmn][3,8]phenanthroline-2,7-diyl)bisbenzoic acid|3,3 -(1,3,6,8-Tetraoxo-1,3,6,8-tetrahydrobenzo[lmn][3,8]phenanthroline-2,7-diyl)bisbenzoic acid|3,3'-(1,3,6,8-tetraoxo-1,3,6,8-tetrahydrobenzo[lmn]-3,8-phenanthroline-2,7-diyl)dibenzoic acid|3,3'-(1,3,6,8-tetraoxo-1,3,6,8-tetrahydrobenzo[lmn][3,8]phenanthroline-2,7-diyl)dibenzoic acid|3-[13-(3-carboxyphenyl)-5,7,12,14-tetraoxo-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaen-6-yl]benzoic acid|3-[7-(3-CARBOXYPHENYL)-1,3,6,8-TETRAOXO-3,6,7,8-TETRAHYDROBENZO[LMN][3,8]PHENANTHROLIN-2(1H)-YL]BENZOIC ACID

Molecular Formula	C28H14N2O8
Molecular Weight	506.075 g/mol
LogP	3.8374
Topological Polar Surface Area	149.36 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	6
Rotatable Bonds	4
Exact Mass	506.075
Monoisotopic Mass	506.075
Heavy Atoms	38
Complexity	1620.6201

Chemical Identifiers

CAS Number	49546-08-9
SMILES	C1=CC(=CC(=C1)N2C(=O)C3=C4C(=CC=C5C4=C(C=C3)C(=O)N(C5=O)C6=CC=CC(=C6)C(=O)O)C2=O)C(=O)O