4-naphthalen-1-yl-N-phenyl-N-[4-(3-phenylbenzo[e]benzimidazol-2-yl)phenyl]aniline

C45H31N3 — CID 163469536

IUPAC4-naphthalen-1-yl-N-phenyl-N-[4-(3-phenylbenzo[e]benzimidazol-2-yl)phenyl]aniline
SMILESc1ccc(N(c2ccc(-c3cccc4ccccc34)cc2)c2ccc(-c3nc4c5ccccc5ccc4n3-c3ccccc3)cc2)cc1
InChIInChI=1S/C45H31N3/c1-3-15-36(16-4-1)47(38-27-22-34(23-28-38)41-21-11-14-32-12-7-9-19-40(32)41)39-29-24-35(25-30-39)45-46-44-42-20-10-8-13-33(42)26-31-43(44)48(45)37-17-5-2-6-18-37/h1-31H
InChIKeyOYWFPHKZZIVHII-UHFFFAOYSA-N
MW613.76 g/mol
LogP12.14
Rot. Bonds6

About 4-naphthalen-1-yl-N-phenyl-N-[4-(3-phenylbenzo[e]benzimidazol-2-yl)phenyl]aniline

4-naphthalen-1-yl-N-phenyl-N-[4-(3-phenylbenzo[e]benzimidazol-2-yl)phenyl]aniline (PubChem CID 163469536) has the molecular formula C45H31N3 and a molecular weight of 613.76 g/mol. Its IUPAC name is 4-naphthalen-1-yl-N-phenyl-N-[4-(3-phenylbenzo[e]benzimidazol-2-yl)phenyl]aniline.

Molecular Properties

Compound Name4-naphthalen-1-yl-N-phenyl-N-[4-(3-phenylbenzo[e]benzimidazol-2-yl)phenyl]aniline
PubChem CID163469536
Molecular FormulaC45H31N3
Molecular Weight613.76 g/mol
Exact Mass613.25
IUPAC Name4-naphthalen-1-yl-N-phenyl-N-[4-(3-phenylbenzo[e]benzimidazol-2-yl)phenyl]aniline
SMILESc1ccc(N(c2ccc(-c3cccc4ccccc34)cc2)c2ccc(-c3nc4c5ccccc5ccc4n3-c3ccccc3)cc2)cc1
InChIInChI=1S/C45H31N3/c1-3-15-36(16-4-1)47(38-27-22-34(23-28-38)41-21-11-14-32-12-7-9-19-40(32)41)39-29-24-35(25-30-39)45-46-44-42-20-10-8-13-33(42)26-31-43(44)48(45)37-17-5-2-6-18-37/h1-31H
InChIKeyOYWFPHKZZIVHII-UHFFFAOYSA-N
XLogP12.14
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500613.76
LogP ≤ 512.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-naphthalen-1-yl-N-phenyl-N-[4-(3-phenylbenzo[e]benzimidazol-2-yl)phenyl]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-bis[4-[3-(1,2-diphenylbenzimidazol-4-yl)phenyl]phenyl]naphthalen-1-amine
CID 122424896
N-(4-naphthalen-1-ylphenyl)-N-phenyl-3-(7-phenylbenzo[c]carbazol-11-yl)aniline
CID 167195951
N-[4-[3-(1,2-diphenylbenzimidazol-4-yl)phenyl]phenyl]-4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 122425006
N-(4-naphthalen-1-ylphenyl)-3-(7-phenylbenzo[c]carbazol-11-yl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 167196262
N-(4-naphthalen-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-3-(7-phenylbenzo[c]carbazol-11-yl)aniline
CID 166660520
N,N-diphenyl-3-[2-[4-(1-phenylbenzimidazol-2-yl)phenyl]naphthalen-1-yl]aniline
CID 174262436
4-naphthalen-1-yl-N-phenyl-N-[4-(7-phenylbenzo[c]carbazol-5-yl)phenyl]aniline
CID 170177852
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)-4-(4-phenylphenyl)aniline
CID 146578337
3-carbazol-9-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-(9-phenylcarbazol-1-yl)phenyl]aniline
CID 164790714
N-[4-(2,3-diphenylbenzo[e]indol-1-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-4-phenylaniline
CID 134396685
7-naphthalen-1-yl-N-(4-naphthalen-2-ylphenyl)-N,9-diphenylcarbazol-2-amine
CID 146573851
4-[4-[4-(4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)anilino)phenyl]phenyl]-N,N-diphenylaniline;N-[4-[4-[4-(4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)anilino)phenyl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-[4-[4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]anilino]phenyl]phenyl]phenyl]aniline
CID 159367730

Frequently Asked Questions

What is the IUPAC name of 4-naphthalen-1-yl-N-phenyl-N-[4-(3-phenylbenzo[e]benzimidazol-2-yl)phenyl]aniline?
The IUPAC name of 4-naphthalen-1-yl-N-phenyl-N-[4-(3-phenylbenzo[e]benzimidazol-2-yl)phenyl]aniline (CID 163469536) is 4-naphthalen-1-yl-N-phenyl-N-[4-(3-phenylbenzo[e]benzimidazol-2-yl)phenyl]aniline.
What is the SMILES notation for 4-naphthalen-1-yl-N-phenyl-N-[4-(3-phenylbenzo[e]benzimidazol-2-yl)phenyl]aniline?
The canonical SMILES for 4-naphthalen-1-yl-N-phenyl-N-[4-(3-phenylbenzo[e]benzimidazol-2-yl)phenyl]aniline is c1ccc(N(c2ccc(-c3cccc4ccccc34)cc2)c2ccc(-c3nc4c5ccccc5ccc4n3-c3ccccc3)cc2)cc1.
What is the InChIKey of 4-naphthalen-1-yl-N-phenyl-N-[4-(3-phenylbenzo[e]benzimidazol-2-yl)phenyl]aniline?
The InChIKey is OYWFPHKZZIVHII-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H31N3/c1-3-15-36(16-4-1)47(38-27-22-34(23-28-38)41-21-11-14-32-12-7-9-19-40(32)41)39-29-24-35(25-30-39)45-46-44-42-20-10-8-13-33(42)26-31-43(44)48(45)37-17-5-2-6-18-37/h1-31H.
What are the key properties of 4-naphthalen-1-yl-N-phenyl-N-[4-(3-phenylbenzo[e]benzimidazol-2-yl)phenyl]aniline?
4-naphthalen-1-yl-N-phenyl-N-[4-(3-phenylbenzo[e]benzimidazol-2-yl)phenyl]aniline has a molecular weight of 613.76 g/mol, XLogP of 12.14, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-naphthalen-1-yl-N-phenyl-N-[4-(3-phenylbenzo[e]benzimidazol-2-yl)phenyl]aniline is sourced from PubChem (CID 163469536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).