N-(4-chlorophenyl)-N-(3,4-diphenylphenyl)-2-phenylbenzotriazol-5-amine

C36H25ClN4 — CID 155316676

IUPACN-(4-chlorophenyl)-N-(3,4-diphenylphenyl)-2-phenylbenzotriazol-5-amine
SMILESClc1ccc(N(c2ccc(-c3ccccc3)c(-c3ccccc3)c2)c2ccc3nn(-c4ccccc4)nc3c2)cc1
InChIInChI=1S/C36H25ClN4/c37-28-16-18-29(19-17-28)40(32-21-23-35-36(25-32)39-41(38-35)30-14-8-3-9-15-30)31-20-22-33(26-10-4-1-5-11-26)34(24-31)27-12-6-2-7-13-27/h1-25H
InChIKeyXLIDWIXPTWDWAA-UHFFFAOYSA-N
MW549.08 g/mol
LogP9.88
Rot. Bonds6

About N-(4-chlorophenyl)-N-(3,4-diphenylphenyl)-2-phenylbenzotriazol-5-amine

N-(4-chlorophenyl)-N-(3,4-diphenylphenyl)-2-phenylbenzotriazol-5-amine (PubChem CID 155316676) has the molecular formula C36H25ClN4 and a molecular weight of 549.08 g/mol. Its IUPAC name is N-(4-chlorophenyl)-N-(3,4-diphenylphenyl)-2-phenylbenzotriazol-5-amine.

Molecular Properties

Compound NameN-(4-chlorophenyl)-N-(3,4-diphenylphenyl)-2-phenylbenzotriazol-5-amine
PubChem CID155316676
Molecular FormulaC36H25ClN4
Molecular Weight549.08 g/mol
Exact Mass548.18
IUPAC NameN-(4-chlorophenyl)-N-(3,4-diphenylphenyl)-2-phenylbenzotriazol-5-amine
SMILESClc1ccc(N(c2ccc(-c3ccccc3)c(-c3ccccc3)c2)c2ccc3nn(-c4ccccc4)nc3c2)cc1
InChIInChI=1S/C36H25ClN4/c37-28-16-18-29(19-17-28)40(32-21-23-35-36(25-32)39-41(38-35)30-14-8-3-9-15-30)31-20-22-33(26-10-4-1-5-11-26)34(24-31)27-12-6-2-7-13-27/h1-25H
InChIKeyXLIDWIXPTWDWAA-UHFFFAOYSA-N
XLogP9.88
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500549.08
LogP ≤ 59.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-(4-chlorophenyl)-N-(3,4-diphenylphenyl)-2-phenylbenzotriazol-5-amine 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,2-diphenyl-N-[4-[3-[4-(N-(2-phenylbenzotriazol-5-yl)anilino)phenyl]phenyl]phenyl]benzotriazol-5-amine
CID 144768909
N-phenyl-2-(4-phenylphenyl)-N-[4-[4-[4-(N-[2-(4-phenylphenyl)benzotriazol-5-yl]anilino)phenyl]phenyl]phenyl]benzotriazol-5-amine
CID 144768912
N-phenyl-N-(4-phenylphenyl)-2-[4-(N-(4-phenylphenyl)anilino)phenyl]benzotriazol-5-amine
CID 153395124
N-[4-(benzotriazol-2-yl)phenyl]-2-[4-(N-[4-(benzotriazol-2-yl)phenyl]anilino)phenyl]-N-phenylbenzotriazol-5-amine
CID 161309398
3-(benzotriazol-2-yl)-N-[4-[4-[4-(N-[3-(benzotriazol-2-yl)phenyl]anilino)phenyl]phenyl]phenyl]-N-phenylaniline
CID 149332303
4-[4-(4-chlorophenyl)-2,5-diphenylphenyl]-N,N-diphenylaniline
CID 176611385
N,N,3-triphenyl-4-[4-(N-phenylanilino)phenyl]aniline
CID 18780381
4-phenyl-N,N,3-tris(4-phenylphenyl)aniline
CID 121477646
2-[4-[4-(4-tert-butylphenyl)phenyl]phenyl]-N,N-diphenylbenzotriazol-5-amine
CID 59653212
N-(4-chlorophenyl)-3-phenyl-N-(3-phenylphenyl)aniline
CID 123790773
N,2-diphenyl-N-(2-phenylbenzotriazol-5-yl)naphtho[2,1-g][1,3]benzoxazol-10-amine
CID 164740317
2-phenyl-N,N-bis(4-phenylphenyl)naphtho[1,2-e]benzotriazol-9-amine
CID 170254413

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-N-(3,4-diphenylphenyl)-2-phenylbenzotriazol-5-amine?
The IUPAC name of N-(4-chlorophenyl)-N-(3,4-diphenylphenyl)-2-phenylbenzotriazol-5-amine (CID 155316676) is N-(4-chlorophenyl)-N-(3,4-diphenylphenyl)-2-phenylbenzotriazol-5-amine.
What is the SMILES notation for N-(4-chlorophenyl)-N-(3,4-diphenylphenyl)-2-phenylbenzotriazol-5-amine?
The canonical SMILES for N-(4-chlorophenyl)-N-(3,4-diphenylphenyl)-2-phenylbenzotriazol-5-amine is Clc1ccc(N(c2ccc(-c3ccccc3)c(-c3ccccc3)c2)c2ccc3nn(-c4ccccc4)nc3c2)cc1.
What is the InChIKey of N-(4-chlorophenyl)-N-(3,4-diphenylphenyl)-2-phenylbenzotriazol-5-amine?
The InChIKey is XLIDWIXPTWDWAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H25ClN4/c37-28-16-18-29(19-17-28)40(32-21-23-35-36(25-32)39-41(38-35)30-14-8-3-9-15-30)31-20-22-33(26-10-4-1-5-11-26)34(24-31)27-12-6-2-7-13-27/h1-25H.
What are the key properties of N-(4-chlorophenyl)-N-(3,4-diphenylphenyl)-2-phenylbenzotriazol-5-amine?
N-(4-chlorophenyl)-N-(3,4-diphenylphenyl)-2-phenylbenzotriazol-5-amine has a molecular weight of 549.08 g/mol, XLogP of 9.88, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-N-(3,4-diphenylphenyl)-2-phenylbenzotriazol-5-amine is sourced from PubChem (CID 155316676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).