N-(4-naphthalen-2-ylphenyl)-3-phenyl-N-[4-(3-phenylbenzo[f]benzimidazol-2-yl)phenyl]aniline

C51H35N3 — CID 163479113

IUPACN-(4-naphthalen-2-ylphenyl)-3-phenyl-N-[4-(3-phenylbenzo[f]benzimidazol-2-yl)phenyl]aniline
SMILESc1ccc(-c2cccc(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3ccc(-c4nc5cc6ccccc6cc5n4-c4ccccc4)cc3)c2)cc1
InChIInChI=1S/C51H35N3/c1-3-12-36(13-4-1)41-18-11-21-48(33-41)53(46-28-24-38(25-29-46)44-23-22-37-14-7-8-15-40(37)32-44)47-30-26-39(27-31-47)51-52-49-34-42-16-9-10-17-43(42)35-50(49)54(51)45-19-5-2-6-20-45/h1-35H
InChIKeyMJOOLOBYIGDEGI-UHFFFAOYSA-N
MW689.86 g/mol
LogP13.80
Rot. Bonds7

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

N-(4-naphthalen-2-ylphenyl)-3-phenyl-N-[4-(3-phenylbenzo[f]benzimidazol-2-yl)phenyl]aniline (PubChem CID 163479113) has the molecular formula C51H35N3 and a molecular weight of 689.86 g/mol. Its IUPAC name is N-(4-naphthalen-2-ylphenyl)-3-phenyl-N-[4-(3-phenylbenzo[f]benzimidazol-2-yl)phenyl]aniline.

Molecular Properties

Compound NameN-(4-naphthalen-2-ylphenyl)-3-phenyl-N-[4-(3-phenylbenzo[f]benzimidazol-2-yl)phenyl]aniline
PubChem CID163479113
Molecular FormulaC51H35N3
Molecular Weight689.86 g/mol
Exact Mass689.28
IUPAC NameN-(4-naphthalen-2-ylphenyl)-3-phenyl-N-[4-(3-phenylbenzo[f]benzimidazol-2-yl)phenyl]aniline
SMILESc1ccc(-c2cccc(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3ccc(-c4nc5cc6ccccc6cc5n4-c4ccccc4)cc3)c2)cc1
InChIInChI=1S/C51H35N3/c1-3-12-36(13-4-1)41-18-11-21-48(33-41)53(46-28-24-38(25-29-46)44-23-22-37-14-7-8-15-40(37)32-44)47-30-26-39(27-31-47)51-52-49-34-42-16-9-10-17-43(42)35-50(49)54(51)45-19-5-2-6-20-45/h1-35H
InChIKeyMJOOLOBYIGDEGI-UHFFFAOYSA-N
XLogP13.80
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500689.86
LogP ≤ 513.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-(4-naphthalen-2-ylphenyl)-3-phenyl-N-[4-(3-phenylbenzo[f]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-[4-[3-(1,2-diphenylbenzimidazol-5-yl)phenyl]phenyl]-N-phenanthren-2-ylphenanthren-2-amine
CID 122424886
9-(4-naphthalen-2-ylphenyl)-N-phenyl-N-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-3-amine
CID 59500896
3-naphthalen-2-yl-N,N-bis(4-phenylphenyl)aniline
CID 167236634
N-[4-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]-9-phenyl-N-(3-phenylphenyl)carbazol-2-amine
CID 174258406
7-naphthalen-2-yl-N,N,9-triphenylcarbazol-2-amine
CID 146573850
3-naphthalen-2-yl-N-[3-(3-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 167323928
N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]-3-phenyl-N-(3-phenylphenyl)aniline
CID 166565645
N-[3-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]-N,9-diphenylcarbazol-2-amine
CID 174258383
N-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine
CID 174258329
3-(5,9-diphenylcarbazol-4-yl)-N-(4-naphthalen-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 167194998
N,N-diphenyl-3-(1-phenylbenzimidazol-2-yl)aniline
CID 146339319
N-(4-carbazol-9-ylphenyl)-3-naphthalen-2-yl-N-phenylaniline
CID 135164563

Frequently Asked Questions

What is the IUPAC name of N-(4-naphthalen-2-ylphenyl)-3-phenyl-N-[4-(3-phenylbenzo[f]benzimidazol-2-yl)phenyl]aniline?
The IUPAC name of N-(4-naphthalen-2-ylphenyl)-3-phenyl-N-[4-(3-phenylbenzo[f]benzimidazol-2-yl)phenyl]aniline (CID 163479113) is N-(4-naphthalen-2-ylphenyl)-3-phenyl-N-[4-(3-phenylbenzo[f]benzimidazol-2-yl)phenyl]aniline.
What is the SMILES notation for N-(4-naphthalen-2-ylphenyl)-3-phenyl-N-[4-(3-phenylbenzo[f]benzimidazol-2-yl)phenyl]aniline?
The canonical SMILES for N-(4-naphthalen-2-ylphenyl)-3-phenyl-N-[4-(3-phenylbenzo[f]benzimidazol-2-yl)phenyl]aniline is c1ccc(-c2cccc(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3ccc(-c4nc5cc6ccccc6cc5n4-c4ccccc4)cc3)c2)cc1.
What is the InChIKey of N-(4-naphthalen-2-ylphenyl)-3-phenyl-N-[4-(3-phenylbenzo[f]benzimidazol-2-yl)phenyl]aniline?
The InChIKey is MJOOLOBYIGDEGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H35N3/c1-3-12-36(13-4-1)41-18-11-21-48(33-41)53(46-28-24-38(25-29-46)44-23-22-37-14-7-8-15-40(37)32-44)47-30-26-39(27-31-47)51-52-49-34-42-16-9-10-17-43(42)35-50(49)54(51)45-19-5-2-6-20-45/h1-35H.
What are the key properties of N-(4-naphthalen-2-ylphenyl)-3-phenyl-N-[4-(3-phenylbenzo[f]benzimidazol-2-yl)phenyl]aniline?
N-(4-naphthalen-2-ylphenyl)-3-phenyl-N-[4-(3-phenylbenzo[f]benzimidazol-2-yl)phenyl]aniline has a molecular weight of 689.86 g/mol, XLogP of 13.80, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-naphthalen-2-ylphenyl)-3-phenyl-N-[4-(3-phenylbenzo[f]benzimidazol-2-yl)phenyl]aniline is sourced from PubChem (CID 163479113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).