1-[9,10-diphenyl-6-(2-phenylphenyl)anthracen-2-yl]-2-phenylbenzimidazole

C51H34N2 — CID 58953744

IUPAC1-[9,10-diphenyl-6-(2-phenylphenyl)anthracen-2-yl]-2-phenylbenzimidazole
SMILESc1ccc(-c2ccccc2-c2ccc3c(-c4ccccc4)c4cc(-n5c(-c6ccccc6)nc6ccccc65)ccc4c(-c4ccccc4)c3c2)cc1
InChIInChI=1S/C51H34N2/c1-5-17-35(18-6-1)41-25-13-14-26-42(41)39-29-31-43-45(33-39)49(36-19-7-2-8-20-36)44-32-30-40(34-46(44)50(43)37-21-9-3-10-22-37)53-48-28-16-15-27-47(48)52-51(53)38-23-11-4-12-24-38/h1-34H
InChIKeyHBJLIROZZKQJRF-UHFFFAOYSA-N
MW674.85 g/mol
LogP13.67
Rot. Bonds6

About 1-[9,10-diphenyl-6-(2-phenylphenyl)anthracen-2-yl]-2-phenylbenzimidazole

1-[9,10-diphenyl-6-(2-phenylphenyl)anthracen-2-yl]-2-phenylbenzimidazole (PubChem CID 58953744) has the molecular formula C51H34N2 and a molecular weight of 674.85 g/mol. Its IUPAC name is 1-[9,10-diphenyl-6-(2-phenylphenyl)anthracen-2-yl]-2-phenylbenzimidazole.

Molecular Properties

Compound Name1-[9,10-diphenyl-6-(2-phenylphenyl)anthracen-2-yl]-2-phenylbenzimidazole
PubChem CID58953744
Molecular FormulaC51H34N2
Molecular Weight674.85 g/mol
Exact Mass674.27
IUPAC Name1-[9,10-diphenyl-6-(2-phenylphenyl)anthracen-2-yl]-2-phenylbenzimidazole
SMILESc1ccc(-c2ccccc2-c2ccc3c(-c4ccccc4)c4cc(-n5c(-c6ccccc6)nc6ccccc65)ccc4c(-c4ccccc4)c3c2)cc1
InChIInChI=1S/C51H34N2/c1-5-17-35(18-6-1)41-25-13-14-26-42(41)39-29-31-43-45(33-39)49(36-19-7-2-8-20-36)44-32-30-40(34-46(44)50(43)37-21-9-3-10-22-37)53-48-28-16-15-27-47(48)52-51(53)38-23-11-4-12-24-38/h1-34H
InChIKeyHBJLIROZZKQJRF-UHFFFAOYSA-N
XLogP13.67
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500674.85
LogP ≤ 513.67
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

1-[9,10-diphenyl-6-(2-phenylbenzimidazol-1-yl)anthracen-2-yl]-2-phenylbenzimidazole
CID 58953790
1-[9,10-bis(2-phenylphenyl)anthracen-2-yl]-2-phenylbenzimidazole
CID 58953833
1-(5,12-diphenyltetracen-2-yl)-2-phenylbenzimidazole
CID 168827455
2-phenyl-1-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole
CID 87412319
1-[4-(9,10-diphenylanthracen-2-yl)phenyl]-2-phenylbenzimidazole
CID 58953815
1-phenyl-2-[4-[6-[4-(1-phenylbenzimidazol-2-yl)phenyl]-9,10-bis(2-phenylphenyl)anthracen-2-yl]phenyl]benzimidazole
CID 20771522
1-[2-[9,10-diphenyl-6-[2-(2-phenylbenzimidazol-1-yl)phenyl]anthracen-2-yl]phenyl]-2-phenylbenzimidazole
CID 58953786
2-[4-(9,10-diphenylanthracen-2-yl)phenyl]-1-phenylbenzimidazole
CID 20771538
1-(9,10-diphenylanthracen-2-yl)-2,5-diphenylbenzimidazole
CID 58953775
1-[4-(7,12-diphenylbenzo[a]anthracen-4-yl)phenyl]-2-phenylbenzimidazole
CID 88544845
1-[4-(9,10-dinaphthalen-1-ylanthracen-2-yl)phenyl]-2-phenylbenzimidazole
CID 58953721
1-phenyl-2-[4-(12-phenyltetracen-5-yl)phenyl]benzimidazole
CID 168827474

Frequently Asked Questions

What is the IUPAC name of 1-[9,10-diphenyl-6-(2-phenylphenyl)anthracen-2-yl]-2-phenylbenzimidazole?
The IUPAC name of 1-[9,10-diphenyl-6-(2-phenylphenyl)anthracen-2-yl]-2-phenylbenzimidazole (CID 58953744) is 1-[9,10-diphenyl-6-(2-phenylphenyl)anthracen-2-yl]-2-phenylbenzimidazole.
What is the SMILES notation for 1-[9,10-diphenyl-6-(2-phenylphenyl)anthracen-2-yl]-2-phenylbenzimidazole?
The canonical SMILES for 1-[9,10-diphenyl-6-(2-phenylphenyl)anthracen-2-yl]-2-phenylbenzimidazole is c1ccc(-c2ccccc2-c2ccc3c(-c4ccccc4)c4cc(-n5c(-c6ccccc6)nc6ccccc65)ccc4c(-c4ccccc4)c3c2)cc1.
What is the InChIKey of 1-[9,10-diphenyl-6-(2-phenylphenyl)anthracen-2-yl]-2-phenylbenzimidazole?
The InChIKey is HBJLIROZZKQJRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H34N2/c1-5-17-35(18-6-1)41-25-13-14-26-42(41)39-29-31-43-45(33-39)49(36-19-7-2-8-20-36)44-32-30-40(34-46(44)50(43)37-21-9-3-10-22-37)53-48-28-16-15-27-47(48)52-51(53)38-23-11-4-12-24-38/h1-34H.
What are the key properties of 1-[9,10-diphenyl-6-(2-phenylphenyl)anthracen-2-yl]-2-phenylbenzimidazole?
1-[9,10-diphenyl-6-(2-phenylphenyl)anthracen-2-yl]-2-phenylbenzimidazole has a molecular weight of 674.85 g/mol, XLogP of 13.67, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[9,10-diphenyl-6-(2-phenylphenyl)anthracen-2-yl]-2-phenylbenzimidazole is sourced from PubChem (CID 58953744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).