5-(3-triphenylen-2-ylphenyl)benzimidazolo[1,2-a]quinoxalin-6-one

C38H23N3O — CID 163895295

IUPAC5-(3-triphenylen-2-ylphenyl)benzimidazolo[1,2-a]quinoxalin-6-one
SMILESO=c1c2nc3ccccc3n2c2ccccc2n1-c1cccc(-c2ccc3c4ccccc4c4ccccc4c3c2)c1
InChIInChI=1S/C38H23N3O/c42-38-37-39-33-16-5-6-17-34(33)41(37)36-19-8-7-18-35(36)40(38)26-11-9-10-24(22-26)25-20-21-31-29-14-2-1-12-27(29)28-13-3-4-15-30(28)32(31)23-25/h1-23H
InChIKeyQFBZJBPDYCUDBP-UHFFFAOYSA-N
MW537.62 g/mol
LogP8.92
Rot. Bonds2

About 5-(3-triphenylen-2-ylphenyl)benzimidazolo[1,2-a]quinoxalin-6-one

5-(3-triphenylen-2-ylphenyl)benzimidazolo[1,2-a]quinoxalin-6-one (PubChem CID 163895295) has the molecular formula C38H23N3O and a molecular weight of 537.62 g/mol. Its IUPAC name is 5-(3-triphenylen-2-ylphenyl)benzimidazolo[1,2-a]quinoxalin-6-one.

Molecular Properties

Compound Name5-(3-triphenylen-2-ylphenyl)benzimidazolo[1,2-a]quinoxalin-6-one
PubChem CID163895295
Molecular FormulaC38H23N3O
Molecular Weight537.62 g/mol
Exact Mass537.18
IUPAC Name5-(3-triphenylen-2-ylphenyl)benzimidazolo[1,2-a]quinoxalin-6-one
SMILESO=c1c2nc3ccccc3n2c2ccccc2n1-c1cccc(-c2ccc3c4ccccc4c4ccccc4c3c2)c1
InChIInChI=1S/C38H23N3O/c42-38-37-39-33-16-5-6-17-34(33)41(37)36-19-8-7-18-35(36)40(38)26-11-9-10-24(22-26)25-20-21-31-29-14-2-1-12-27(29)28-13-3-4-15-30(28)32(31)23-25/h1-23H
InChIKeyQFBZJBPDYCUDBP-UHFFFAOYSA-N
XLogP8.92
TPSA39.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.62
LogP ≤ 58.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 5-(3-triphenylen-2-ylphenyl)benzimidazolo[1,2-a]quinoxalin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(2-phenylquinazolin-4-yl)benzimidazolo[1,2-a]quinoxalin-6-one
CID 146639211
4-(9-phenylcarbazol-3-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene
CID 149202227
2-phenyl-5-(3-triphenylen-2-ylphenyl)phenanthridin-6-one
CID 142451944
9-(3-triphenylen-2-ylphenyl)carbazole
CID 88924379
20-(3-naphthalen-2-ylphenyl)-2,9,20-triazaheptacyclo[15.11.0.02,10.03,8.011,16.019,27.021,26]octacosa-1(28),3,5,7,9,11,13,15,17,19(27),21,23,25-tridecaene
CID 90432832
10-(3,6-diphenylcarbazol-9-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaene
CID 58038256
9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-5-phenylbenzimidazolo[1,2-a]quinoxalin-6-one;10-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylbenzimidazolo[1,2-a]quinoxalin-6-one;5-phenyl-9-(9-phenylcarbazol-3-yl)benzimidazolo[1,2-a]quinoxalin-6-one;5-phenyl-2-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]benzimidazolo[1,2-a]quinoxalin-6-one
CID 163988390
23-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-iodophenyl]-18-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,10,18-triazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4,6,8,11,13,15,20(25),21,23-undecaen-19-one
CID 165126186
6-(3-triphenylen-2-ylphenyl)benzo[c][2,6]naphthyridin-5-one
CID 146302394
5-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]benzimidazolo[1,2-c]quinazolin-6-one
CID 164776394
20-(3-triphenylen-2-ylphenyl)-2,9,17,25-tetrazahexacyclo[15.8.0.02,10.03,8.011,16.019,24]pentacosa-1(25),3,5,7,9,11,13,15,19,21,23-undecaen-18-one
CID 165126182
11-(3-triphenylen-2-ylphenyl)-9-oxa-1,11,13-triazapentacyclo[10.7.0.02,10.03,8.014,19]nonadeca-2(10),3,5,7,12,14,16,18-octaene
CID 154646751

Frequently Asked Questions

What is the IUPAC name of 5-(3-triphenylen-2-ylphenyl)benzimidazolo[1,2-a]quinoxalin-6-one?
The IUPAC name of 5-(3-triphenylen-2-ylphenyl)benzimidazolo[1,2-a]quinoxalin-6-one (CID 163895295) is 5-(3-triphenylen-2-ylphenyl)benzimidazolo[1,2-a]quinoxalin-6-one.
What is the SMILES notation for 5-(3-triphenylen-2-ylphenyl)benzimidazolo[1,2-a]quinoxalin-6-one?
The canonical SMILES for 5-(3-triphenylen-2-ylphenyl)benzimidazolo[1,2-a]quinoxalin-6-one is O=c1c2nc3ccccc3n2c2ccccc2n1-c1cccc(-c2ccc3c4ccccc4c4ccccc4c3c2)c1.
What is the InChIKey of 5-(3-triphenylen-2-ylphenyl)benzimidazolo[1,2-a]quinoxalin-6-one?
The InChIKey is QFBZJBPDYCUDBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H23N3O/c42-38-37-39-33-16-5-6-17-34(33)41(37)36-19-8-7-18-35(36)40(38)26-11-9-10-24(22-26)25-20-21-31-29-14-2-1-12-27(29)28-13-3-4-15-30(28)32(31)23-25/h1-23H.
What are the key properties of 5-(3-triphenylen-2-ylphenyl)benzimidazolo[1,2-a]quinoxalin-6-one?
5-(3-triphenylen-2-ylphenyl)benzimidazolo[1,2-a]quinoxalin-6-one has a molecular weight of 537.62 g/mol, XLogP of 8.92, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-triphenylen-2-ylphenyl)benzimidazolo[1,2-a]quinoxalin-6-one is sourced from PubChem (CID 163895295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).