N,N-diphenyl-3-[2-[4-(1-phenylbenzimidazol-2-yl)phenyl]naphthalen-1-yl]aniline

C47H33N3 — CID 174262436

IUPACN,N-diphenyl-3-[2-[4-(1-phenylbenzimidazol-2-yl)phenyl]naphthalen-1-yl]aniline
SMILESc1ccc(N(c2ccccc2)c2cccc(-c3c(-c4ccc(-c5nc6ccccc6n5-c5ccccc5)cc4)ccc4ccccc34)c2)cc1
InChIInChI=1S/C47H33N3/c1-4-17-38(18-5-1)49(39-19-6-2-7-20-39)41-23-14-16-37(33-41)46-42-24-11-10-15-34(42)31-32-43(46)35-27-29-36(30-28-35)47-48-44-25-12-13-26-45(44)50(47)40-21-8-3-9-22-40/h1-33H
InChIKeyKEPVHKYUEANBIS-UHFFFAOYSA-N
MW639.80 g/mol
LogP12.65
Rot. Bonds7

About N,N-diphenyl-3-[2-[4-(1-phenylbenzimidazol-2-yl)phenyl]naphthalen-1-yl]aniline

N,N-diphenyl-3-[2-[4-(1-phenylbenzimidazol-2-yl)phenyl]naphthalen-1-yl]aniline (PubChem CID 174262436) has the molecular formula C47H33N3 and a molecular weight of 639.80 g/mol. Its IUPAC name is N,N-diphenyl-3-[2-[4-(1-phenylbenzimidazol-2-yl)phenyl]naphthalen-1-yl]aniline.

Molecular Properties

Compound NameN,N-diphenyl-3-[2-[4-(1-phenylbenzimidazol-2-yl)phenyl]naphthalen-1-yl]aniline
PubChem CID174262436
Molecular FormulaC47H33N3
Molecular Weight639.80 g/mol
Exact Mass639.27
IUPAC NameN,N-diphenyl-3-[2-[4-(1-phenylbenzimidazol-2-yl)phenyl]naphthalen-1-yl]aniline
SMILESc1ccc(N(c2ccccc2)c2cccc(-c3c(-c4ccc(-c5nc6ccccc6n5-c5ccccc5)cc4)ccc4ccccc34)c2)cc1
InChIInChI=1S/C47H33N3/c1-4-17-38(18-5-1)49(39-19-6-2-7-20-39)41-23-14-16-37(33-41)46-42-24-11-10-15-34(42)31-32-43(46)35-27-29-36(30-28-35)47-48-44-25-12-13-26-45(44)50(47)40-21-8-3-9-22-40/h1-33H
InChIKeyKEPVHKYUEANBIS-UHFFFAOYSA-N
XLogP12.65
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500639.80
LogP ≤ 512.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N,N-diphenyl-3-[2-[4-(1-phenylbenzimidazol-2-yl)phenyl]naphthalen-1-yl]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-diphenyl-3-(1-phenylbenzimidazol-2-yl)aniline
CID 146339319
N,9-diphenyl-N-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-3-amine
CID 59500875
N-[4-[3-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-N-(4-phenylphenyl)phenanthren-2-amine
CID 122425024
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
N,N-diphenyl-4-[22-[4-(N-phenylanilino)phenyl]-9,18-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]-12-hexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1,3(8),4,6,9,11,13,15,17(21),18,20(22)-undecaenyl]aniline
CID 58738516
1-phenyl-2-[3-(1-phenylnaphthalen-2-yl)naphthalen-2-yl]benzimidazole
CID 142488113
2-[4-[4-[7,10-di(phenanthren-2-yl)-9-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-3-(4-phenylphenyl)fluoranthen-8-yl]phenyl]phenyl]-1-phenylbenzimidazole
CID 148846094
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
2-[4-(1-methylnaphthalen-2-yl)phenyl]-1-phenylbenzimidazole
CID 135245229
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

Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-3-[2-[4-(1-phenylbenzimidazol-2-yl)phenyl]naphthalen-1-yl]aniline?
The IUPAC name of N,N-diphenyl-3-[2-[4-(1-phenylbenzimidazol-2-yl)phenyl]naphthalen-1-yl]aniline (CID 174262436) is N,N-diphenyl-3-[2-[4-(1-phenylbenzimidazol-2-yl)phenyl]naphthalen-1-yl]aniline.
What is the SMILES notation for N,N-diphenyl-3-[2-[4-(1-phenylbenzimidazol-2-yl)phenyl]naphthalen-1-yl]aniline?
The canonical SMILES for N,N-diphenyl-3-[2-[4-(1-phenylbenzimidazol-2-yl)phenyl]naphthalen-1-yl]aniline is c1ccc(N(c2ccccc2)c2cccc(-c3c(-c4ccc(-c5nc6ccccc6n5-c5ccccc5)cc4)ccc4ccccc34)c2)cc1.
What is the InChIKey of N,N-diphenyl-3-[2-[4-(1-phenylbenzimidazol-2-yl)phenyl]naphthalen-1-yl]aniline?
The InChIKey is KEPVHKYUEANBIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H33N3/c1-4-17-38(18-5-1)49(39-19-6-2-7-20-39)41-23-14-16-37(33-41)46-42-24-11-10-15-34(42)31-32-43(46)35-27-29-36(30-28-35)47-48-44-25-12-13-26-45(44)50(47)40-21-8-3-9-22-40/h1-33H.
What are the key properties of N,N-diphenyl-3-[2-[4-(1-phenylbenzimidazol-2-yl)phenyl]naphthalen-1-yl]aniline?
N,N-diphenyl-3-[2-[4-(1-phenylbenzimidazol-2-yl)phenyl]naphthalen-1-yl]aniline has a molecular weight of 639.80 g/mol, XLogP of 12.65, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diphenyl-3-[2-[4-(1-phenylbenzimidazol-2-yl)phenyl]naphthalen-1-yl]aniline is sourced from PubChem (CID 174262436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).