English 日本語简体中文繁體中文 한국어

✖

Menu

RCSB PDB PDBe BMRB Adv. Search Search help

Summary Geometry Related PDB entries

824

Summary

Name:	9-HYDROXY-4-PHENYLPYRROLO[3,4-C]CARBAZOLE-1,3(2H,6H)-DIONE
Synonyms:	9-HYDROXY-4-PHENYL-6H-PYRROLO[3,4-C]CARBAZOLE-1,3-DIONE
Formula:	C20 H12 N2 O3
Formal charge:	0
Formula weight:	328.321 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	10.04	9-hydroxy-4-phenylpyrrolo[3,4-c]carbazole-1,3(2H,6H)-dione
OpenEye OEToolkits	1.5.0	9-hydroxy-4-phenyl-6H-pyrrolo[3,4-c]carbazole-1,3-dione

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C5c4c2c1cc(O)ccc1nc2cc(c3ccccc3)c4C(=O)N5
SMILES_CANONICAL	CACTVS	3.341	Oc1ccc2[nH]c3cc(c4ccccc4)c5C(=O)NC(=O)c5c3c2c1
SMILES	CACTVS	3.341	Oc1ccc2[nH]c3cc(c4ccccc4)c5C(=O)NC(=O)c5c3c2c1
SMILES_CANONICAL	OpenEye OEToolkits	1.5.0	c1ccc(cc1)c2cc3c(c4cc(ccc4[nH]3)O)c5c2C(=O)NC5=O
SMILES	OpenEye OEToolkits	1.5.0	c1ccc(cc1)c2cc3c(c4cc(ccc4[nH]3)O)c5c2C(=O)NC5=O
InChI	InChI	1.03	InChI=1S/C20H12N2O3/c23-11-6-7-14-13(8-11)16-15(21-14)9-12(10-4-2-1-3-5-10)17-18(16)20(25)22-19(17)24/h1-9,21,23H,(H,22,24,25)
InChIKey	InChI	1.03	IAUZTOZLTFSMIE-UHFFFAOYSA-N

223790

PDB entries from 2024-08-14

PDB statistics

PDBj update info

Contact PDBj

numon