N,N-diphenyl-3-(1-phenylbenzimidazol-2-yl)aniline

C31H23N3 — CID 146339319

IUPACN,N-diphenyl-3-(1-phenylbenzimidazol-2-yl)aniline
SMILESc1ccc(N(c2ccccc2)c2cccc(-c3nc4ccccc4n3-c3ccccc3)c2)cc1
InChIInChI=1S/C31H23N3/c1-4-14-25(15-5-1)33(26-16-6-2-7-17-26)28-20-12-13-24(23-28)31-32-29-21-10-11-22-30(29)34(31)27-18-8-3-9-19-27/h1-23H
InChIKeyPAXKVCFTAQHFAC-UHFFFAOYSA-N
MW437.55 g/mol
LogP8.16
Rot. Bonds5

About N,N-diphenyl-3-(1-phenylbenzimidazol-2-yl)aniline

N,N-diphenyl-3-(1-phenylbenzimidazol-2-yl)aniline (PubChem CID 146339319) has the molecular formula C31H23N3 and a molecular weight of 437.55 g/mol. Its IUPAC name is N,N-diphenyl-3-(1-phenylbenzimidazol-2-yl)aniline.

Molecular Properties

Compound NameN,N-diphenyl-3-(1-phenylbenzimidazol-2-yl)aniline
PubChem CID146339319
Molecular FormulaC31H23N3
Molecular Weight437.55 g/mol
Exact Mass437.19
IUPAC NameN,N-diphenyl-3-(1-phenylbenzimidazol-2-yl)aniline
SMILESc1ccc(N(c2ccccc2)c2cccc(-c3nc4ccccc4n3-c3ccccc3)c2)cc1
InChIInChI=1S/C31H23N3/c1-4-14-25(15-5-1)33(26-16-6-2-7-17-26)28-20-12-13-24(23-28)31-32-29-21-10-11-22-30(29)34(31)27-18-8-3-9-19-27/h1-23H
InChIKeyPAXKVCFTAQHFAC-UHFFFAOYSA-N
XLogP8.16
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.55
LogP ≤ 58.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[1-(3-methylphenyl)benzimidazol-2-yl]phenyl]-N,4-diphenylaniline
CID 71143072
N,N-diphenyl-3-[10-(1-phenylbenzimidazol-2-yl)benzo[k]phenanthridin-6-yl]aniline
CID 171054618
4-phenyl-N-[4-(2-phenylbenzimidazol-1-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 154031427
N,N-diphenyl-3-[2-[4-(1-phenylbenzimidazol-2-yl)phenyl]naphthalen-1-yl]aniline
CID 174262436
N,9-diphenyl-N-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-3-amine
CID 59500875
4-(4-methoxy-N-[3-(2-phenylbenzimidazol-1-yl)phenyl]anilino)phenol
CID 146339363
N-dibenzofuran-3-yl-N-[4-[3-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]dibenzofuran-3-amine;4-phenyl-N,N-bis[4-[3-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]aniline;4-phenyl-N-[4-[3-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 161463384
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
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
1-phenyl-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]benzimidazole
CID 18629889
N,N-diphenyl-4-[10-[4-(N-phenylanilino)phenyl]-3-[10-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]anthracen-9-yl]aniline
CID 58963329

Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-3-(1-phenylbenzimidazol-2-yl)aniline?
The IUPAC name of N,N-diphenyl-3-(1-phenylbenzimidazol-2-yl)aniline (CID 146339319) is N,N-diphenyl-3-(1-phenylbenzimidazol-2-yl)aniline.
What is the SMILES notation for N,N-diphenyl-3-(1-phenylbenzimidazol-2-yl)aniline?
The canonical SMILES for N,N-diphenyl-3-(1-phenylbenzimidazol-2-yl)aniline is c1ccc(N(c2ccccc2)c2cccc(-c3nc4ccccc4n3-c3ccccc3)c2)cc1.
What is the InChIKey of N,N-diphenyl-3-(1-phenylbenzimidazol-2-yl)aniline?
The InChIKey is PAXKVCFTAQHFAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H23N3/c1-4-14-25(15-5-1)33(26-16-6-2-7-17-26)28-20-12-13-24(23-28)31-32-29-21-10-11-22-30(29)34(31)27-18-8-3-9-19-27/h1-23H.
What are the key properties of N,N-diphenyl-3-(1-phenylbenzimidazol-2-yl)aniline?
N,N-diphenyl-3-(1-phenylbenzimidazol-2-yl)aniline has a molecular weight of 437.55 g/mol, XLogP of 8.16, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diphenyl-3-(1-phenylbenzimidazol-2-yl)aniline is sourced from PubChem (CID 146339319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).