2-(4-bromophenyl)-1-phenylbenzimidazole;4-carbazol-9-yl-N-phenylaniline;N-(4-carbazol-9-ylphenyl)-N-phenyl-4-(1-phenylbenzimidazol-2-yl)aniline

C86H61BrN8 — CID 158035715

IUPAC2-(4-bromophenyl)-1-phenylbenzimidazole;4-carbazol-9-yl-N-phenylaniline;N-(4-carbazol-9-ylphenyl)-N-phenyl-4-(1-phenylbenzimidazol-2-yl)aniline
SMILESBrc1ccc(-c2nc3ccccc3n2-c2ccccc2)cc1.c1ccc(N(c2ccc(-c3nc4ccccc4n3-c3ccccc3)cc2)c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1.c1ccc(Nc2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1
InChIInChI=1S/C43H30N4.C24H18N2.C19H13BrN2/c1-3-13-32(14-4-1)45(35-27-29-36(30-28-35)46-40-20-10-7-17-37(40)38-18-8-11-21-41(38)46)34-25-23-31(24-26-34)43-44-39-19-9-12-22-42(39)47(43)33-15-5-2-6-16-33;1-2-8-18(9-3-1)25-19-14-16-20(17-15-19)26-23-12-6-4-10-21(23)22-11-5-7-13-24(22)26;20-15-12-10-14(11-13-15)19-21-17-8-4-5-9-18(17)22(19)16-6-2-1-3-7-16/h1-30H;1-17,25H;1-13H
InChIKeyFHSKBWQBNVIGFW-UHFFFAOYSA-N
MW1286.39 g/mol
LogP23.24
Rot. Bonds11

About 2-(4-bromophenyl)-1-phenylbenzimidazole;4-carbazol-9-yl-N-phenylaniline;N-(4-carbazol-9-ylphenyl)-N-phenyl-4-(1-phenylbenzimidazol-2-yl)aniline

2-(4-bromophenyl)-1-phenylbenzimidazole;4-carbazol-9-yl-N-phenylaniline;N-(4-carbazol-9-ylphenyl)-N-phenyl-4-(1-phenylbenzimidazol-2-yl)aniline (PubChem CID 158035715) has the molecular formula C86H61BrN8 and a molecular weight of 1286.39 g/mol. Its IUPAC name is 2-(4-bromophenyl)-1-phenylbenzimidazole;4-carbazol-9-yl-N-phenylaniline;N-(4-carbazol-9-ylphenyl)-N-phenyl-4-(1-phenylbenzimidazol-2-yl)aniline.

Molecular Properties

Compound Name2-(4-bromophenyl)-1-phenylbenzimidazole;4-carbazol-9-yl-N-phenylaniline;N-(4-carbazol-9-ylphenyl)-N-phenyl-4-(1-phenylbenzimidazol-2-yl)aniline
PubChem CID158035715
Molecular FormulaC86H61BrN8
Molecular Weight1286.39 g/mol
Exact Mass1284.42
IUPAC Name2-(4-bromophenyl)-1-phenylbenzimidazole;4-carbazol-9-yl-N-phenylaniline;N-(4-carbazol-9-ylphenyl)-N-phenyl-4-(1-phenylbenzimidazol-2-yl)aniline
SMILESBrc1ccc(-c2nc3ccccc3n2-c2ccccc2)cc1.c1ccc(N(c2ccc(-c3nc4ccccc4n3-c3ccccc3)cc2)c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1.c1ccc(Nc2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1
InChIInChI=1S/C43H30N4.C24H18N2.C19H13BrN2/c1-3-13-32(14-4-1)45(35-27-29-36(30-28-35)46-40-20-10-7-17-37(40)38-18-8-11-21-41(38)46)34-25-23-31(24-26-34)43-44-39-19-9-12-22-42(39)47(43)33-15-5-2-6-16-33;1-2-8-18(9-3-1)25-19-14-16-20(17-15-19)26-23-12-6-4-10-21(23)22-11-5-7-13-24(22)26;20-15-12-10-14(11-13-15)19-21-17-8-4-5-9-18(17)22(19)16-6-2-1-3-7-16/h1-30H;1-17,25H;1-13H
InChIKeyFHSKBWQBNVIGFW-UHFFFAOYSA-N
XLogP23.24
TPSA60.77 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms95
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001286.39
LogP ≤ 523.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

5-bromo-3-[1-(4-bromophenyl)-4,5-diphenylimidazol-2-yl]-2-phenyl-1H-indole
CID 122191962
1-(4-bromophenyl)-N-[4-[5-[2-[4-[(4-bromophenyl)methylideneamino]phenyl]-1H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]phenyl]methanimine
CID 135971364
2-(4-bromophenyl)-3-(1,4,5-triphenylimidazol-2-yl)-1H-indole
CID 122191969
2-(3-bromophenyl)-3-[1-(4-bromophenyl)-4,5-diphenylimidazol-2-yl]-1H-indole
CID 155555166
5-bromo-3-[1-(4-methylphenyl)-4,5-diphenylimidazol-2-yl]-2-phenyl-1H-indole
CID 122191965
5-bromo-2-phenyl-3-(1,4,5-triphenylimidazol-2-yl)-1H-indole
CID 122191966
2-(4-bromophenyl)-3-[1-(4-bromophenyl)-4,5-diphenylimidazol-2-yl]-1H-indole
CID 122191970
2-(4-bromophenyl)-3-[1-(4-fluorophenyl)-4,5-diphenylimidazol-2-yl]-1H-indole
CID 122191971
2-[3-(1H-benzimidazol-2-yl)-4-(4-bromophenyl)-2,6-diphenyl-3,4-dihydropyridin-5-yl]-1H-benzimidazole
CID 155561926
4-(1H-benzimidazol-2-yl)-N-[(Z)-[2-(4-bromophenyl)-1H-indol-3-yl]methylideneamino]aniline
CID 135436194
1-(4-bromophenyl)-N-[4-[6-[2-[4-[(4-bromophenyl)methylideneamino]phenyl]-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]phenyl]methanimine
CID 45488771
2-Phenyl-4,6-bis(12-phenylindolo[2,3-a]carbazole11-yl)-1,3,5-triazine
CID 57997065

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-1-phenylbenzimidazole;4-carbazol-9-yl-N-phenylaniline;N-(4-carbazol-9-ylphenyl)-N-phenyl-4-(1-phenylbenzimidazol-2-yl)aniline?
The IUPAC name of 2-(4-bromophenyl)-1-phenylbenzimidazole;4-carbazol-9-yl-N-phenylaniline;N-(4-carbazol-9-ylphenyl)-N-phenyl-4-(1-phenylbenzimidazol-2-yl)aniline (CID 158035715) is 2-(4-bromophenyl)-1-phenylbenzimidazole;4-carbazol-9-yl-N-phenylaniline;N-(4-carbazol-9-ylphenyl)-N-phenyl-4-(1-phenylbenzimidazol-2-yl)aniline.
What is the SMILES notation for 2-(4-bromophenyl)-1-phenylbenzimidazole;4-carbazol-9-yl-N-phenylaniline;N-(4-carbazol-9-ylphenyl)-N-phenyl-4-(1-phenylbenzimidazol-2-yl)aniline?
The canonical SMILES for 2-(4-bromophenyl)-1-phenylbenzimidazole;4-carbazol-9-yl-N-phenylaniline;N-(4-carbazol-9-ylphenyl)-N-phenyl-4-(1-phenylbenzimidazol-2-yl)aniline is Brc1ccc(-c2nc3ccccc3n2-c2ccccc2)cc1.c1ccc(N(c2ccc(-c3nc4ccccc4n3-c3ccccc3)cc2)c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1.c1ccc(Nc2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1.
What is the InChIKey of 2-(4-bromophenyl)-1-phenylbenzimidazole;4-carbazol-9-yl-N-phenylaniline;N-(4-carbazol-9-ylphenyl)-N-phenyl-4-(1-phenylbenzimidazol-2-yl)aniline?
The InChIKey is FHSKBWQBNVIGFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H30N4.C24H18N2.C19H13BrN2/c1-3-13-32(14-4-1)45(35-27-29-36(30-28-35)46-40-20-10-7-17-37(40)38-18-8-11-21-41(38)46)34-25-23-31(24-26-34)43-44-39-19-9-12-22-42(39)47(43)33-15-5-2-6-16-33;1-2-8-18(9-3-1)25-19-14-16-20(17-15-19)26-23-12-6-4-10-21(23)22-11-5-7-13-24(22)26;20-15-12-10-14(11-13-15)19-21-17-8-4-5-9-18(17)22(19)16-6-2-1-3-7-16/h1-30H;1-17,25H;1-13H.
What are the key properties of 2-(4-bromophenyl)-1-phenylbenzimidazole;4-carbazol-9-yl-N-phenylaniline;N-(4-carbazol-9-ylphenyl)-N-phenyl-4-(1-phenylbenzimidazol-2-yl)aniline?
2-(4-bromophenyl)-1-phenylbenzimidazole;4-carbazol-9-yl-N-phenylaniline;N-(4-carbazol-9-ylphenyl)-N-phenyl-4-(1-phenylbenzimidazol-2-yl)aniline has a molecular weight of 1286.39 g/mol, XLogP of 23.24, 11 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-1-phenylbenzimidazole;4-carbazol-9-yl-N-phenylaniline;N-(4-carbazol-9-ylphenyl)-N-phenyl-4-(1-phenylbenzimidazol-2-yl)aniline is sourced from PubChem (CID 158035715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).