4-phenyl-N-[4-(2-phenylbenzimidazol-1-yl)phenyl]-N-(4-phenylphenyl)aniline

C43H31N3 — CID 154031427

IUPAC4-phenyl-N-[4-(2-phenylbenzimidazol-1-yl)phenyl]-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-n4c(-c5ccccc5)nc5ccccc54)cc3)cc2)cc1
InChIInChI=1S/C43H31N3/c1-4-12-32(13-5-1)34-20-24-37(25-21-34)45(38-26-22-35(23-27-38)33-14-6-2-7-15-33)39-28-30-40(31-29-39)46-42-19-11-10-18-41(42)44-43(46)36-16-8-3-9-17-36/h1-31H
InChIKeyNFORLMWXVWJZHL-UHFFFAOYSA-N
MW589.74 g/mol
LogP11.50
Rot. Bonds7

About 4-phenyl-N-[4-(2-phenylbenzimidazol-1-yl)phenyl]-N-(4-phenylphenyl)aniline

4-phenyl-N-[4-(2-phenylbenzimidazol-1-yl)phenyl]-N-(4-phenylphenyl)aniline (PubChem CID 154031427) has the molecular formula C43H31N3 and a molecular weight of 589.74 g/mol. Its IUPAC name is 4-phenyl-N-[4-(2-phenylbenzimidazol-1-yl)phenyl]-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound Name4-phenyl-N-[4-(2-phenylbenzimidazol-1-yl)phenyl]-N-(4-phenylphenyl)aniline
PubChem CID154031427
Molecular FormulaC43H31N3
Molecular Weight589.74 g/mol
Exact Mass589.25
IUPAC Name4-phenyl-N-[4-(2-phenylbenzimidazol-1-yl)phenyl]-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-n4c(-c5ccccc5)nc5ccccc54)cc3)cc2)cc1
InChIInChI=1S/C43H31N3/c1-4-12-32(13-5-1)34-20-24-37(25-21-34)45(38-26-22-35(23-27-38)33-14-6-2-7-15-33)39-28-30-40(31-29-39)46-42-19-11-10-18-41(42)44-43(46)36-16-8-3-9-17-36/h1-31H
InChIKeyNFORLMWXVWJZHL-UHFFFAOYSA-N
XLogP11.50
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500589.74
LogP ≤ 511.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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
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
N-[4-[1-(3-methylphenyl)benzimidazol-2-yl]phenyl]-N,4-diphenylaniline
CID 71143072
1-phenyl-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]benzimidazole
CID 18629889
2-phenyl-1-[4-[7-[4-(2-phenylbenzimidazol-1-yl)phenyl]pyren-2-yl]phenyl]benzimidazole
CID 90362628
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
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
1-[4-[4,6-bis[4-(2-phenylbenzimidazol-1-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-2-phenylbenzimidazole
CID 152919581
N,N-diphenyl-3-(1-phenylbenzimidazol-2-yl)aniline
CID 146339319
1-phenyl-2-[4-[4-(2,3,4,5-tetraphenylpyrrol-1-yl)phenyl]phenyl]benzimidazole
CID 58489449
N,9-diphenyl-N-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-3-amine
CID 59500875
2-phenyl-1-(4-pyren-2-ylphenyl)benzimidazole
CID 90362549

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-[4-(2-phenylbenzimidazol-1-yl)phenyl]-N-(4-phenylphenyl)aniline?
The IUPAC name of 4-phenyl-N-[4-(2-phenylbenzimidazol-1-yl)phenyl]-N-(4-phenylphenyl)aniline (CID 154031427) is 4-phenyl-N-[4-(2-phenylbenzimidazol-1-yl)phenyl]-N-(4-phenylphenyl)aniline.
What is the SMILES notation for 4-phenyl-N-[4-(2-phenylbenzimidazol-1-yl)phenyl]-N-(4-phenylphenyl)aniline?
The canonical SMILES for 4-phenyl-N-[4-(2-phenylbenzimidazol-1-yl)phenyl]-N-(4-phenylphenyl)aniline is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-n4c(-c5ccccc5)nc5ccccc54)cc3)cc2)cc1.
What is the InChIKey of 4-phenyl-N-[4-(2-phenylbenzimidazol-1-yl)phenyl]-N-(4-phenylphenyl)aniline?
The InChIKey is NFORLMWXVWJZHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H31N3/c1-4-12-32(13-5-1)34-20-24-37(25-21-34)45(38-26-22-35(23-27-38)33-14-6-2-7-15-33)39-28-30-40(31-29-39)46-42-19-11-10-18-41(42)44-43(46)36-16-8-3-9-17-36/h1-31H.
What are the key properties of 4-phenyl-N-[4-(2-phenylbenzimidazol-1-yl)phenyl]-N-(4-phenylphenyl)aniline?
4-phenyl-N-[4-(2-phenylbenzimidazol-1-yl)phenyl]-N-(4-phenylphenyl)aniline has a molecular weight of 589.74 g/mol, XLogP of 11.50, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-[4-(2-phenylbenzimidazol-1-yl)phenyl]-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 154031427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).