6-[4-[3-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]benzo[h]quinoline

C38H25N3 — CID 155792535

IUPAC6-[4-[3-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]benzo[h]quinoline
SMILESc1ccc(-n2c(-c3cccc(-c4ccc(-c5cc6cccnc6c6ccccc56)cc4)c3)nc3ccccc32)cc1
InChIInChI=1S/C38H25N3/c1-2-13-31(14-3-1)41-36-18-7-6-17-35(36)40-38(41)30-11-8-10-28(24-30)26-19-21-27(22-20-26)34-25-29-12-9-23-39-37(29)33-16-5-4-15-32(33)34/h1-25H
InChIKeyZXWRTFCVKNOXCP-UHFFFAOYSA-N
MW523.64 g/mol
LogP9.73
Rot. Bonds4

About 6-[4-[3-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]benzo[h]quinoline

6-[4-[3-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]benzo[h]quinoline (PubChem CID 155792535) has the molecular formula C38H25N3 and a molecular weight of 523.64 g/mol. Its IUPAC name is 6-[4-[3-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]benzo[h]quinoline.

Molecular Properties

Compound Name6-[4-[3-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]benzo[h]quinoline
PubChem CID155792535
Molecular FormulaC38H25N3
Molecular Weight523.64 g/mol
Exact Mass523.20
IUPAC Name6-[4-[3-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]benzo[h]quinoline
SMILESc1ccc(-n2c(-c3cccc(-c4ccc(-c5cc6cccnc6c6ccccc56)cc4)c3)nc3ccccc32)cc1
InChIInChI=1S/C38H25N3/c1-2-13-31(14-3-1)41-36-18-7-6-17-35(36)40-38(41)30-11-8-10-28(24-30)26-19-21-27(22-20-26)34-25-29-12-9-23-39-37(29)33-16-5-4-15-32(33)34/h1-25H
InChIKeyZXWRTFCVKNOXCP-UHFFFAOYSA-N
XLogP9.73
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.64
LogP ≤ 59.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-[3-[3-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]benzo[h]quinoline
CID 146976715
5,8-bis[4-[1-(3-phenylphenyl)benzimidazol-2-yl]phenyl]quinoline
CID 138705115
2-[4-(3-benzo[h]quinolin-6-ylphenyl)phenyl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;6-[3-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]benzo[h]quinoline;6-[3-[4-(4-phenylquinazolin-2-yl)phenyl]phenyl]benzo[h]quinoline
CID 158292757
1-phenyl-2-[3-[10-(9-phenylphenanthren-3-yl)anthracen-9-yl]phenyl]benzimidazole
CID 140942183
2-[3-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]phenyl]-1-phenylbenzimidazole
CID 166509976
2-[4-[4-(19-hexacyclo[12.10.2.02,7.08,13.018,26.021,25]hexacosa-1(24),2,4,6,8,10,12,14(26),15,17,19,21(25),22-tridecaenyl)phenyl]phenyl]-1-phenylbenzimidazole
CID 167412067
4-[4-(1-phenylbenzimidazol-2-yl)phenyl]-2,6-bis(4-phenylphenyl)benzo[h]quinoline
CID 70958726
7-[10-(8-hydroxyquinolin-7-yl)-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-8-ol
CID 136502638
2-[4-[2,3-dimethyl-4-[4-(1-phenylbenzimidazol-2-yl)phenyl]naphthalen-1-yl]phenyl]-1-phenylbenzimidazole;2-[4-[2-methyl-4-[4-(1-phenylbenzimidazol-2-yl)phenyl]naphthalen-1-yl]phenyl]-1-phenylbenzimidazole;7-[4-(1-phenylbenzimidazol-2-yl)phenyl]benzo[f][1,10]phenanthroline;1-phenyl-2-[4-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]naphthalen-1-yl]phenyl]benzimidazole
CID 158588840
2,4-diphenyl-6-(4-triphenylen-2-ylphenyl)-1,3,5-triazine;4,6-dipyridin-3-yl-2-(4-triphenylen-2-ylphenyl)pyrimidine;1-phenyl-2-(3-triphenylen-2-ylphenyl)benzimidazole;2-(3-triphenylen-2-ylphenyl)-1,10-phenanthroline
CID 158734176
2-[3-[10-[6-(9,10-dinaphthalen-2-ylanthracen-2-yl)naphthalen-2-yl]anthracen-9-yl]phenyl]-1-phenylbenzimidazole;2-[4-[10-[6-(9,10-dinaphthalen-2-ylanthracen-2-yl)naphthalen-2-yl]anthracen-9-yl]phenyl]-1-phenylbenzimidazole;2-[6-[10-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]anthracen-9-yl]naphthalen-2-yl]-1-phenylbenzimidazole
CID 158746248
2-[3-[1,2,3,4,5,6,7,8-octadeuterio-10-(4-phenylphenyl)anthracen-9-yl]phenyl]-1-phenylbenzimidazole
CID 169071913

Frequently Asked Questions

What is the IUPAC name of 6-[4-[3-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]benzo[h]quinoline?
The IUPAC name of 6-[4-[3-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]benzo[h]quinoline (CID 155792535) is 6-[4-[3-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]benzo[h]quinoline.
What is the SMILES notation for 6-[4-[3-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]benzo[h]quinoline?
The canonical SMILES for 6-[4-[3-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]benzo[h]quinoline is c1ccc(-n2c(-c3cccc(-c4ccc(-c5cc6cccnc6c6ccccc56)cc4)c3)nc3ccccc32)cc1.
What is the InChIKey of 6-[4-[3-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]benzo[h]quinoline?
The InChIKey is ZXWRTFCVKNOXCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H25N3/c1-2-13-31(14-3-1)41-36-18-7-6-17-35(36)40-38(41)30-11-8-10-28(24-30)26-19-21-27(22-20-26)34-25-29-12-9-23-39-37(29)33-16-5-4-15-32(33)34/h1-25H.
What are the key properties of 6-[4-[3-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]benzo[h]quinoline?
6-[4-[3-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]benzo[h]quinoline has a molecular weight of 523.64 g/mol, XLogP of 9.73, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[3-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]benzo[h]quinoline is sourced from PubChem (CID 155792535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).