1-[4-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]-2-propylbenzimidazole

C46H34N2 — CID 87412328

IUPAC1-[4-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]-2-propylbenzimidazole
SMILESCCCc1nc2ccccc2n1-c1ccc(-c2c3ccccc3c(-c3ccc(-c4ccc5ccccc5c4)cc3)c3ccccc23)cc1
InChIInChI=1S/C46H34N2/c1-2-11-44-47-42-18-9-10-19-43(42)48(44)37-28-26-34(27-29-37)46-40-16-7-5-14-38(40)45(39-15-6-8-17-41(39)46)33-23-20-32(21-24-33)36-25-22-31-12-3-4-13-35(31)30-36/h3-10,12-30H,2,11H2,1H3
InChIKeyQBCQGNXAOAOJLB-UHFFFAOYSA-N
MW614.79 g/mol
LogP12.44
Rot. Bonds6

About 1-[4-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]-2-propylbenzimidazole

1-[4-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]-2-propylbenzimidazole (PubChem CID 87412328) has the molecular formula C46H34N2 and a molecular weight of 614.79 g/mol. Its IUPAC name is 1-[4-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]-2-propylbenzimidazole.

Molecular Properties

Compound Name1-[4-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]-2-propylbenzimidazole
PubChem CID87412328
Molecular FormulaC46H34N2
Molecular Weight614.79 g/mol
Exact Mass614.27
IUPAC Name1-[4-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]-2-propylbenzimidazole
SMILESCCCc1nc2ccccc2n1-c1ccc(-c2c3ccccc3c(-c3ccc(-c4ccc5ccccc5c4)cc3)c3ccccc23)cc1
InChIInChI=1S/C46H34N2/c1-2-11-44-47-42-18-9-10-19-43(42)48(44)37-28-26-34(27-29-37)46-40-16-7-5-14-38(40)45(39-15-6-8-17-41(39)46)33-23-20-32(21-24-33)36-25-22-31-12-3-4-13-35(31)30-36/h3-10,12-30H,2,11H2,1H3
InChIKeyQBCQGNXAOAOJLB-UHFFFAOYSA-N
XLogP12.44
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500614.79
LogP ≤ 512.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

5-(10-naphthalen-2-ylanthracen-9-yl)-1-phenyl-2-propylbenzimidazole
CID 58898406
2-ethyl-1-[6-(10-naphthalen-2-yl-2-phenylanthracen-9-yl)naphthalen-2-yl]benzimidazole
CID 166043075
1-[4-(25,25-dimethyl-20-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaenyl)phenyl]-2-propylbenzimidazole
CID 121431106
1-[6-(9,10-diphenylanthracen-2-yl)naphthalen-2-yl]-2-ethylbenzimidazole
CID 170235698
2-ethyl-1-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]benzimidazole
CID 170235572
1-[4-[3,10-bis(4-phenylphenyl)anthracen-9-yl]phenyl]-2-ethylbenzimidazole;2-ethyl-1-[4-(10-naphthalen-1-yl-3-naphthalen-2-ylanthracen-9-yl)phenyl]benzimidazole;2-ethyl-1-[4-[3-(2-phenylphenyl)-10-(4-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole;2-ethyl-1-[4-[3-(3-phenylphenyl)-10-(4-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole
CID 167535306
2-ethyl-1-[4-[10-phenyl-2-(3-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole
CID 166043045
2-ethyl-1-[4-(3-phenyl-10-triphenylen-2-ylanthracen-9-yl)phenyl]benzimidazole
CID 166042892
1-[4-(10-methylanthracen-9-yl)phenyl]-2-naphthalen-2-ylbenzimidazole
CID 58876083
2-(1,1,2,2,2-pentadeuterioethyl)-1-[6-[10-(3-phenylphenyl)anthracen-9-yl]naphthalen-2-yl]benzimidazole
CID 169070426
2-ethyl-1-[4-[3-[4-[4-[5-[10-[4-(2-ethylbenzimidazol-1-yl)phenyl]-2-naphthalen-1-ylanthracen-9-yl]naphthalen-2-yl]phenyl]phenyl]-10-naphthalen-1-ylanthracen-9-yl]phenyl]benzimidazole
CID 167191942
2-ethyl-1-[4-[10-(3-pyridin-4-ylphenyl)anthracen-9-yl]phenyl]benzimidazole
CID 170236015

Frequently Asked Questions

What is the IUPAC name of 1-[4-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]-2-propylbenzimidazole?
The IUPAC name of 1-[4-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]-2-propylbenzimidazole (CID 87412328) is 1-[4-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]-2-propylbenzimidazole.
What is the SMILES notation for 1-[4-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]-2-propylbenzimidazole?
The canonical SMILES for 1-[4-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]-2-propylbenzimidazole is CCCc1nc2ccccc2n1-c1ccc(-c2c3ccccc3c(-c3ccc(-c4ccc5ccccc5c4)cc3)c3ccccc23)cc1.
What is the InChIKey of 1-[4-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]-2-propylbenzimidazole?
The InChIKey is QBCQGNXAOAOJLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H34N2/c1-2-11-44-47-42-18-9-10-19-43(42)48(44)37-28-26-34(27-29-37)46-40-16-7-5-14-38(40)45(39-15-6-8-17-41(39)46)33-23-20-32(21-24-33)36-25-22-31-12-3-4-13-35(31)30-36/h3-10,12-30H,2,11H2,1H3.
What are the key properties of 1-[4-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]-2-propylbenzimidazole?
1-[4-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]-2-propylbenzimidazole has a molecular weight of 614.79 g/mol, XLogP of 12.44, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]-2-propylbenzimidazole is sourced from PubChem (CID 87412328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).