2-[4-[10-(4-bromophenyl)anthracen-9-yl]phenyl]-1-phenylbenzimidazole

C39H25BrN2 — CID 58037722

IUPAC2-[4-[10-(4-bromophenyl)anthracen-9-yl]phenyl]-1-phenylbenzimidazole
SMILESBrc1ccc(-c2c3ccccc3c(-c3ccc(-c4nc5ccccc5n4-c4ccccc4)cc3)c3ccccc23)cc1
InChIInChI=1S/C39H25BrN2/c40-29-24-22-27(23-25-29)38-33-14-6-4-12-31(33)37(32-13-5-7-15-34(32)38)26-18-20-28(21-19-26)39-41-35-16-8-9-17-36(35)42(39)30-10-2-1-3-11-30/h1-25H
InChIKeySNERUMUXKVEZHY-UHFFFAOYSA-N
MW601.55 g/mol
LogP11.10
Rot. Bonds4

About 2-[4-[10-(4-bromophenyl)anthracen-9-yl]phenyl]-1-phenylbenzimidazole

2-[4-[10-(4-bromophenyl)anthracen-9-yl]phenyl]-1-phenylbenzimidazole (PubChem CID 58037722) has the molecular formula C39H25BrN2 and a molecular weight of 601.55 g/mol. Its IUPAC name is 2-[4-[10-(4-bromophenyl)anthracen-9-yl]phenyl]-1-phenylbenzimidazole.

Molecular Properties

Compound Name2-[4-[10-(4-bromophenyl)anthracen-9-yl]phenyl]-1-phenylbenzimidazole
PubChem CID58037722
Molecular FormulaC39H25BrN2
Molecular Weight601.55 g/mol
Exact Mass600.12
IUPAC Name2-[4-[10-(4-bromophenyl)anthracen-9-yl]phenyl]-1-phenylbenzimidazole
SMILESBrc1ccc(-c2c3ccccc3c(-c3ccc(-c4nc5ccccc5n4-c4ccccc4)cc3)c3ccccc23)cc1
InChIInChI=1S/C39H25BrN2/c40-29-24-22-27(23-25-29)38-33-14-6-4-12-31(33)37(32-13-5-7-15-34(32)38)26-18-20-28(21-19-26)39-41-35-16-8-9-17-36(35)42(39)30-10-2-1-3-11-30/h1-25H
InChIKeySNERUMUXKVEZHY-UHFFFAOYSA-N
XLogP11.10
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500601.55
LogP ≤ 511.10
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

2-(4-bromophenyl)-1-phenylbenzimidazole
CID 23094070
2-[4-(10-methylphenanthren-9-yl)phenyl]-1-phenylbenzimidazole
CID 166656592
1-phenyl-2-[4-(12-phenyltetracen-5-yl)phenyl]benzimidazole
CID 168827474
2-[4-(9,10-diphenylanthracen-2-yl)phenyl]-1-phenylbenzimidazole
CID 20771538
1-phenyl-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]benzimidazole
CID 18629889
5,10-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]benzo[g]isoquinoline
CID 59182934
2-[4-[10-[6-[10-(4-methylphenyl)anthracen-9-yl]naphthalen-2-yl]anthracen-9-yl]phenyl]-1-phenylbenzimidazole
CID 58894895
2-[4-(10-phenylanthracen-9-yl)phenyl]-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]-1,10-phenanthroline
CID 122578272
1-[4-(9,10-diphenylanthracen-2-yl)phenyl]-2-phenylbenzimidazole
CID 58953815
2-phenyl-1-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole
CID 87412319
2-[4-[10-(6-methylnaphthalen-2-yl)anthracen-9-yl]phenyl]-1-phenylbenzimidazole
CID 58876120
9-[4-[4-[4-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 58470934

Frequently Asked Questions

What is the IUPAC name of 2-[4-[10-(4-bromophenyl)anthracen-9-yl]phenyl]-1-phenylbenzimidazole?
The IUPAC name of 2-[4-[10-(4-bromophenyl)anthracen-9-yl]phenyl]-1-phenylbenzimidazole (CID 58037722) is 2-[4-[10-(4-bromophenyl)anthracen-9-yl]phenyl]-1-phenylbenzimidazole.
What is the SMILES notation for 2-[4-[10-(4-bromophenyl)anthracen-9-yl]phenyl]-1-phenylbenzimidazole?
The canonical SMILES for 2-[4-[10-(4-bromophenyl)anthracen-9-yl]phenyl]-1-phenylbenzimidazole is Brc1ccc(-c2c3ccccc3c(-c3ccc(-c4nc5ccccc5n4-c4ccccc4)cc3)c3ccccc23)cc1.
What is the InChIKey of 2-[4-[10-(4-bromophenyl)anthracen-9-yl]phenyl]-1-phenylbenzimidazole?
The InChIKey is SNERUMUXKVEZHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H25BrN2/c40-29-24-22-27(23-25-29)38-33-14-6-4-12-31(33)37(32-13-5-7-15-34(32)38)26-18-20-28(21-19-26)39-41-35-16-8-9-17-36(35)42(39)30-10-2-1-3-11-30/h1-25H.
What are the key properties of 2-[4-[10-(4-bromophenyl)anthracen-9-yl]phenyl]-1-phenylbenzimidazole?
2-[4-[10-(4-bromophenyl)anthracen-9-yl]phenyl]-1-phenylbenzimidazole has a molecular weight of 601.55 g/mol, XLogP of 11.10, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[10-(4-bromophenyl)anthracen-9-yl]phenyl]-1-phenylbenzimidazole is sourced from PubChem (CID 58037722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).