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

C38H25N3 — CID 146976715

IUPAC6-[3-[3-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]benzo[h]quinoline
SMILESc1ccc(-n2c(-c3cccc(-c4cccc(-c5cc6cccnc6c6ccccc56)c4)c3)nc3ccccc32)cc1
InChIInChI=1S/C38H25N3/c1-2-16-31(17-3-1)41-36-21-7-6-20-35(36)40-38(41)30-14-9-12-27(24-30)26-11-8-13-28(23-26)34-25-29-15-10-22-39-37(29)33-19-5-4-18-32(33)34/h1-25H
InChIKeyANMRZPJTXVTPKN-UHFFFAOYSA-N
MW523.64 g/mol
LogP9.73
Rot. Bonds4

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

6-[3-[3-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]benzo[h]quinoline (PubChem CID 146976715) has the molecular formula C38H25N3 and a molecular weight of 523.64 g/mol. Its IUPAC name is 6-[3-[3-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]benzo[h]quinoline.

Molecular Properties

Compound Name6-[3-[3-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]benzo[h]quinoline
PubChem CID146976715
Molecular FormulaC38H25N3
Molecular Weight523.64 g/mol
Exact Mass523.20
IUPAC Name6-[3-[3-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]benzo[h]quinoline
SMILESc1ccc(-n2c(-c3cccc(-c4cccc(-c5cc6cccnc6c6ccccc56)c4)c3)nc3ccccc32)cc1
InChIInChI=1S/C38H25N3/c1-2-16-31(17-3-1)41-36-21-7-6-20-35(36)40-38(41)30-14-9-12-27(24-30)26-11-8-13-28(23-26)34-25-29-15-10-22-39-37(29)33-19-5-4-18-32(33)34/h1-25H
InChIKeyANMRZPJTXVTPKN-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-[4-[3-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]benzo[h]quinoline
CID 155792535
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
5,8-bis[4-[1-(3-phenylphenyl)benzimidazol-2-yl]phenyl]quinoline
CID 138705115
2-[3-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]phenyl]-1-phenylbenzimidazole
CID 166509976
9-phenyl-1,3-bis[3-(1-phenylbenzimidazol-2-yl)phenyl]carbazole
CID 118448479
8-(1-phenylbenzimidazol-2-yl)quinoline
CID 23527786
1-phenyl-2-[3-[10-(9-phenylphenanthren-3-yl)anthracen-9-yl]phenyl]benzimidazole
CID 140942183
1-phenyl-2-(3-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-9'-ylphenyl)benzimidazole
CID 137494336
7-[10-(8-hydroxyquinolin-7-yl)-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-8-ol
CID 136502638
2-[3,5-bis[2,6-di(quinolin-8-yl)-4-pyridinyl]phenyl]-3-phenylimidazo[4,5-f][1,10]phenanthroline;2-[3,5-bis[2,6-di(quinolin-8-yl)-4-pyridinyl]phenyl]-3-phenylphenanthro[9,10-d]imidazole;8-[4-[3-[2,6-di(quinolin-8-yl)-4-pyridinyl]-5-(1-phenylbenzimidazol-2-yl)phenyl]-6-quinolin-8-yl-2-pyridinyl]quinoline
CID 159086204
2-(6-benzo[c]phenanthren-5-ylnaphthalen-2-yl)-1-phenylbenzimidazole
CID 88544794
2-[3-[10-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]anthracen-9-yl]phenyl]-1-phenylbenzimidazole
CID 169070976

Frequently Asked Questions

What is the IUPAC name of 6-[3-[3-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]benzo[h]quinoline?
The IUPAC name of 6-[3-[3-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]benzo[h]quinoline (CID 146976715) is 6-[3-[3-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]benzo[h]quinoline.
What is the SMILES notation for 6-[3-[3-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]benzo[h]quinoline?
The canonical SMILES for 6-[3-[3-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]benzo[h]quinoline is c1ccc(-n2c(-c3cccc(-c4cccc(-c5cc6cccnc6c6ccccc56)c4)c3)nc3ccccc32)cc1.
What is the InChIKey of 6-[3-[3-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]benzo[h]quinoline?
The InChIKey is ANMRZPJTXVTPKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H25N3/c1-2-16-31(17-3-1)41-36-21-7-6-20-35(36)40-38(41)30-14-9-12-27(24-30)26-11-8-13-28(23-26)34-25-29-15-10-22-39-37(29)33-19-5-4-18-32(33)34/h1-25H.
What are the key properties of 6-[3-[3-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]benzo[h]quinoline?
6-[3-[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-[3-[3-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]benzo[h]quinoline is sourced from PubChem (CID 146976715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).