3-(10-phenylphenazin-5-yl)isoindolo[2,3-a]benzimidazol-11-one

C32H20N4O — CID 121248025

IUPAC3-(10-phenylphenazin-5-yl)isoindolo[2,3-a]benzimidazol-11-one
SMILESO=C1c2ccc(N3c4ccccc4N(c4ccccc4)c4ccccc43)cc2-c2nc3ccccc3n21
InChIInChI=1S/C32H20N4O/c37-32-23-19-18-22(20-24(23)31-33-25-12-4-5-13-26(25)36(31)32)35-29-16-8-6-14-27(29)34(21-10-2-1-3-11-21)28-15-7-9-17-30(28)35/h1-20H
InChIKeyNAOPTYUVROIDTD-UHFFFAOYSA-N
MW476.54 g/mol
LogP7.96
Rot. Bonds2

About 3-(10-phenylphenazin-5-yl)isoindolo[2,3-a]benzimidazol-11-one

3-(10-phenylphenazin-5-yl)isoindolo[2,3-a]benzimidazol-11-one (PubChem CID 121248025) has the molecular formula C32H20N4O and a molecular weight of 476.54 g/mol. Its IUPAC name is 3-(10-phenylphenazin-5-yl)isoindolo[2,3-a]benzimidazol-11-one.

Molecular Properties

Compound Name3-(10-phenylphenazin-5-yl)isoindolo[2,3-a]benzimidazol-11-one
PubChem CID121248025
Molecular FormulaC32H20N4O
Molecular Weight476.54 g/mol
Exact Mass476.16
IUPAC Name3-(10-phenylphenazin-5-yl)isoindolo[2,3-a]benzimidazol-11-one
SMILESO=C1c2ccc(N3c4ccccc4N(c4ccccc4)c4ccccc43)cc2-c2nc3ccccc3n21
InChIInChI=1S/C32H20N4O/c37-32-23-19-18-22(20-24(23)31-33-25-12-4-5-13-26(25)36(31)32)35-29-16-8-6-14-27(29)34(21-10-2-1-3-11-21)28-15-7-9-17-30(28)35/h1-20H
InChIKeyNAOPTYUVROIDTD-UHFFFAOYSA-N
XLogP7.96
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.54
LogP ≤ 57.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(9,9-diphenylacridin-10-yl)isoindolo[2,3-a]benzimidazol-11-one
CID 121248032
1,4-bis(10-phenylphenazin-5-yl)isoindolo[2,3-a]benzimidazol-11-one
CID 121248120
10-[4-[4-phenothiazin-10-yl-2-(1-phenylbenzimidazol-2-yl)phenyl]-3-(1-phenylbenzimidazol-2-yl)phenyl]phenoxazine
CID 129148191
2-carbazol-9-ylisoindolo[2,3-a]benzimidazol-11-one;2-phenothiazin-10-ylisoindolo[2,3-a]benzimidazol-11-one;2-phenoxazin-10-ylisoindolo[2,3-a]benzimidazol-11-one
CID 158739311
2-[2,5-bis(1-phenylbenzimidazol-2-yl)phenyl]-1-phenylbenzimidazole
CID 141061579
2,3-bis(9-oxoacridin-10-yl)isoindolo[2,3-a]benzimidazol-11-one
CID 121248023
15-phenyl-8-[4-(1-phenylbenzimidazol-2-yl)phenyl]-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene
CID 122493132
1-phenyl-2-[4-[4-(1-phenylbenzimidazol-2-yl)naphthalen-1-yl]naphthalen-1-yl]benzimidazole
CID 129257071
4-(4-aminophenyl)-3-(1-phenylbenzimidazol-2-yl)aniline
CID 175047355
7-phenylisoindolo[2,3-a]benzimidazol-11-one
CID 23881857
1-phenyl-2-(1-phenylbenzimidazol-2-yl)benzimidazole
CID 44622931
lithium 2-(1-phenylbenzimidazol-2-yl)phenolate
CID 118618865

Frequently Asked Questions

What is the IUPAC name of 3-(10-phenylphenazin-5-yl)isoindolo[2,3-a]benzimidazol-11-one?
The IUPAC name of 3-(10-phenylphenazin-5-yl)isoindolo[2,3-a]benzimidazol-11-one (CID 121248025) is 3-(10-phenylphenazin-5-yl)isoindolo[2,3-a]benzimidazol-11-one.
What is the SMILES notation for 3-(10-phenylphenazin-5-yl)isoindolo[2,3-a]benzimidazol-11-one?
The canonical SMILES for 3-(10-phenylphenazin-5-yl)isoindolo[2,3-a]benzimidazol-11-one is O=C1c2ccc(N3c4ccccc4N(c4ccccc4)c4ccccc43)cc2-c2nc3ccccc3n21.
What is the InChIKey of 3-(10-phenylphenazin-5-yl)isoindolo[2,3-a]benzimidazol-11-one?
The InChIKey is NAOPTYUVROIDTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H20N4O/c37-32-23-19-18-22(20-24(23)31-33-25-12-4-5-13-26(25)36(31)32)35-29-16-8-6-14-27(29)34(21-10-2-1-3-11-21)28-15-7-9-17-30(28)35/h1-20H.
What are the key properties of 3-(10-phenylphenazin-5-yl)isoindolo[2,3-a]benzimidazol-11-one?
3-(10-phenylphenazin-5-yl)isoindolo[2,3-a]benzimidazol-11-one has a molecular weight of 476.54 g/mol, XLogP of 7.96, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(10-phenylphenazin-5-yl)isoindolo[2,3-a]benzimidazol-11-one is sourced from PubChem (CID 121248025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).