N-[4-[1-(3-methylphenyl)benzimidazol-2-yl]phenyl]-N,4-diphenylaniline

C38H29N3 — CID 71143072

IUPACN-[4-[1-(3-methylphenyl)benzimidazol-2-yl]phenyl]-N,4-diphenylaniline
SMILESCc1cccc(-n2c(-c3ccc(N(c4ccccc4)c4ccc(-c5ccccc5)cc4)cc3)nc3ccccc32)c1
InChIInChI=1S/C38H29N3/c1-28-11-10-16-35(27-28)41-37-18-9-8-17-36(37)39-38(41)31-21-25-34(26-22-31)40(32-14-6-3-7-15-32)33-23-19-30(20-24-33)29-12-4-2-5-13-29/h2-27H,1H3
InChIKeyZLJCEBMCBHQWQQ-UHFFFAOYSA-N
MW527.67 g/mol
LogP10.14
Rot. Bonds6

About N-[4-[1-(3-methylphenyl)benzimidazol-2-yl]phenyl]-N,4-diphenylaniline

N-[4-[1-(3-methylphenyl)benzimidazol-2-yl]phenyl]-N,4-diphenylaniline (PubChem CID 71143072) has the molecular formula C38H29N3 and a molecular weight of 527.67 g/mol. Its IUPAC name is N-[4-[1-(3-methylphenyl)benzimidazol-2-yl]phenyl]-N,4-diphenylaniline.

Molecular Properties

Compound NameN-[4-[1-(3-methylphenyl)benzimidazol-2-yl]phenyl]-N,4-diphenylaniline
PubChem CID71143072
Molecular FormulaC38H29N3
Molecular Weight527.67 g/mol
Exact Mass527.24
IUPAC NameN-[4-[1-(3-methylphenyl)benzimidazol-2-yl]phenyl]-N,4-diphenylaniline
SMILESCc1cccc(-n2c(-c3ccc(N(c4ccccc4)c4ccc(-c5ccccc5)cc4)cc3)nc3ccccc32)c1
InChIInChI=1S/C38H29N3/c1-28-11-10-16-35(27-28)41-37-18-9-8-17-36(37)39-38(41)31-21-25-34(26-22-31)40(32-14-6-3-7-15-32)33-23-19-30(20-24-33)29-12-4-2-5-13-29/h2-27H,1H3
InChIKeyZLJCEBMCBHQWQQ-UHFFFAOYSA-N
XLogP10.14
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.67
LogP ≤ 510.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-diphenyl-3-(1-phenylbenzimidazol-2-yl)aniline
CID 146339319
4-phenyl-N-[4-(2-phenylbenzimidazol-1-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 154031427
4-methyl-N-[4-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-6-[4-(1-phenylbenzimidazol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-N-(4-methylphenyl)aniline
CID 163796534
4-[3-(1,8,15,17,19-pentazahexacyclo[16.7.0.02,7.08,16.09,14.020,25]pentacosa-2,4,6,9,11,13,15,18,20,22,24-undecaen-17-yl)phenyl]-N,N-diphenylaniline;17-phenyl-4-(1-phenylbenzimidazol-2-yl)-1,8,15,17,19-pentazahexacyclo[16.7.0.02,7.08,16.09,14.020,25]pentacosa-2(7),3,5,9,11,13,15,18,20,22,24-undecaene;17-phenyl-4-(2-phenylbenzimidazol-1-yl)-1,8,15,17,19-pentazahexacyclo[16.7.0.02,7.08,16.09,14.020,25]pentacosa-2(7),3,5,9,11,13,15,18,20,22,24-undecaene
CID 159021039
4-(4-methoxy-N-[3-(2-phenylbenzimidazol-1-yl)phenyl]anilino)phenol
CID 146339363
N-[4-[3-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-N-(4-phenylphenyl)phenanthren-2-amine
CID 122425024
4-methyl-N-(4-methylphenyl)-N-[4-[4-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]cyclohexa-1,3-dien-1-yl]phenyl]phenyl]aniline
CID 89467463
N,9-diphenyl-N-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-3-amine
CID 59500875
N-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-phenyl-N-[4-(2-phenylbenzimidazol-1-yl)phenyl]aniline
CID 121337566
9-[3-carbazol-9-yl-5-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]carbazole;N-[4-[3-(3-carbazol-9-ylphenyl)-5-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline;N-[4-[3-(4-carbazol-9-ylphenyl)-5-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline;N-[4-[3-[3,5-di(carbazol-9-yl)phenyl]-5-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline;4-methyl-N-[4-[3-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-5-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-N-(4-methylphenyl)aniline;4-methyl-N-(4-methylphenyl)-N-[4-[3-(1-phenylbenzimidazol-2-yl)-5-(9-phenylcarbazol-3-yl)phenyl]phenyl]aniline
CID 158130026
3-N,3-N,10-N,10-N-tetraphenyl-15-[4-(1-phenylbenzimidazol-2-yl)phenyl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-3,10-diamine
CID 90125585
9,9-dimethyl-2-N,7-N-diphenyl-2-N,7-N-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]fluorene-2,7-diamine
CID 155473648

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(3-methylphenyl)benzimidazol-2-yl]phenyl]-N,4-diphenylaniline?
The IUPAC name of N-[4-[1-(3-methylphenyl)benzimidazol-2-yl]phenyl]-N,4-diphenylaniline (CID 71143072) is N-[4-[1-(3-methylphenyl)benzimidazol-2-yl]phenyl]-N,4-diphenylaniline.
What is the SMILES notation for N-[4-[1-(3-methylphenyl)benzimidazol-2-yl]phenyl]-N,4-diphenylaniline?
The canonical SMILES for N-[4-[1-(3-methylphenyl)benzimidazol-2-yl]phenyl]-N,4-diphenylaniline is Cc1cccc(-n2c(-c3ccc(N(c4ccccc4)c4ccc(-c5ccccc5)cc4)cc3)nc3ccccc32)c1.
What is the InChIKey of N-[4-[1-(3-methylphenyl)benzimidazol-2-yl]phenyl]-N,4-diphenylaniline?
The InChIKey is ZLJCEBMCBHQWQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H29N3/c1-28-11-10-16-35(27-28)41-37-18-9-8-17-36(37)39-38(41)31-21-25-34(26-22-31)40(32-14-6-3-7-15-32)33-23-19-30(20-24-33)29-12-4-2-5-13-29/h2-27H,1H3.
What are the key properties of N-[4-[1-(3-methylphenyl)benzimidazol-2-yl]phenyl]-N,4-diphenylaniline?
N-[4-[1-(3-methylphenyl)benzimidazol-2-yl]phenyl]-N,4-diphenylaniline has a molecular weight of 527.67 g/mol, XLogP of 10.14, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(3-methylphenyl)benzimidazol-2-yl]phenyl]-N,4-diphenylaniline is sourced from PubChem (CID 71143072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).