N-[4-(3,5-diphenylpyrazol-1-yl)phenyl]-N,4-diphenylaniline

C39H29N3 — CID 59500037

IUPACN-[4-(3,5-diphenylpyrazol-1-yl)phenyl]-N,4-diphenylaniline
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccc(-n4nc(-c5ccccc5)cc4-c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C39H29N3/c1-5-13-30(14-6-1)31-21-23-35(24-22-31)41(34-19-11-4-12-20-34)36-25-27-37(28-26-36)42-39(33-17-9-3-10-18-33)29-38(40-42)32-15-7-2-8-16-32/h1-29H
InChIKeyLNYGJUFPEMWRGH-UHFFFAOYSA-N
MW539.68 g/mol
LogP10.34
Rot. Bonds7

About N-[4-(3,5-diphenylpyrazol-1-yl)phenyl]-N,4-diphenylaniline

N-[4-(3,5-diphenylpyrazol-1-yl)phenyl]-N,4-diphenylaniline (PubChem CID 59500037) has the molecular formula C39H29N3 and a molecular weight of 539.68 g/mol. Its IUPAC name is N-[4-(3,5-diphenylpyrazol-1-yl)phenyl]-N,4-diphenylaniline.

Molecular Properties

Compound NameN-[4-(3,5-diphenylpyrazol-1-yl)phenyl]-N,4-diphenylaniline
PubChem CID59500037
Molecular FormulaC39H29N3
Molecular Weight539.68 g/mol
Exact Mass539.24
IUPAC NameN-[4-(3,5-diphenylpyrazol-1-yl)phenyl]-N,4-diphenylaniline
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccc(-n4nc(-c5ccccc5)cc4-c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C39H29N3/c1-5-13-30(14-6-1)31-21-23-35(24-22-31)41(34-19-11-4-12-20-34)36-25-27-37(28-26-36)42-39(33-17-9-3-10-18-33)29-38(40-42)32-15-7-2-8-16-32/h1-29H
InChIKeyLNYGJUFPEMWRGH-UHFFFAOYSA-N
XLogP10.34
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500539.68
LogP ≤ 510.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[4-(3,5-diphenylpyrazol-1-yl)phenyl]-N,4-diphenylaniline 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-4-[2-[2-[4-[3-phenyl-5-(4-phenylphenyl)pyrazol-1-yl]phenyl]phenyl]phenyl]aniline
CID 59501321
N-[4-(3,5-diphenylpyrazol-1-yl)phenyl]-4-methyl-N-phenylaniline
CID 59499972
N-[4-(3,5-diphenylpyrazol-1-yl)phenyl]-4-naphthalen-2-yl-N-phenylaniline
CID 59499901
4-[3-(4-tert-butylphenyl)-5-(4-phenylphenyl)pyrazol-1-yl]-N,N-diphenylaniline
CID 59499889
N-[4-[2-[2-[4-(3,5-diphenylpyrazol-1-yl)phenyl]phenyl]phenyl]phenyl]-4-methyl-N-phenylaniline
CID 59501229
2-[4-(3,5-diphenylpyrazol-1-yl)phenyl]-N,N-diphenylaniline
CID 59500016
1,3,5-triphenylpyrazole
CID 626614
4-[1-(4-aminophenyl)-3-phenylpyrazol-5-yl]aniline
CID 71342425
3-(4-fluorophenyl)-1,5-diphenylpyrazole
CID 14978147
9-[4-[3-(4-methylphenyl)-5-(4-phenylphenyl)pyrazol-1-yl]phenyl]carbazole
CID 59499994
9-[4-[2-[2-[4-[3,5-bis(4-phenylphenyl)pyrazol-1-yl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 59501257
1,5-bis[4-(3,5-diphenylpyrazol-1-yl)phenyl]-2,6-diphenylpyrrolo[2,3-f]indole
CID 71016751

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,5-diphenylpyrazol-1-yl)phenyl]-N,4-diphenylaniline?
The IUPAC name of N-[4-(3,5-diphenylpyrazol-1-yl)phenyl]-N,4-diphenylaniline (CID 59500037) is N-[4-(3,5-diphenylpyrazol-1-yl)phenyl]-N,4-diphenylaniline.
What is the SMILES notation for N-[4-(3,5-diphenylpyrazol-1-yl)phenyl]-N,4-diphenylaniline?
The canonical SMILES for N-[4-(3,5-diphenylpyrazol-1-yl)phenyl]-N,4-diphenylaniline is c1ccc(-c2ccc(N(c3ccccc3)c3ccc(-n4nc(-c5ccccc5)cc4-c4ccccc4)cc3)cc2)cc1.
What is the InChIKey of N-[4-(3,5-diphenylpyrazol-1-yl)phenyl]-N,4-diphenylaniline?
The InChIKey is LNYGJUFPEMWRGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H29N3/c1-5-13-30(14-6-1)31-21-23-35(24-22-31)41(34-19-11-4-12-20-34)36-25-27-37(28-26-36)42-39(33-17-9-3-10-18-33)29-38(40-42)32-15-7-2-8-16-32/h1-29H.
What are the key properties of N-[4-(3,5-diphenylpyrazol-1-yl)phenyl]-N,4-diphenylaniline?
N-[4-(3,5-diphenylpyrazol-1-yl)phenyl]-N,4-diphenylaniline has a molecular weight of 539.68 g/mol, XLogP of 10.34, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,5-diphenylpyrazol-1-yl)phenyl]-N,4-diphenylaniline is sourced from PubChem (CID 59500037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).