2-[4-(3,5-diphenylpyrazol-1-yl)phenyl]-N,N-diphenylaniline

C39H29N3 — CID 59500016

IUPAC2-[4-(3,5-diphenylpyrazol-1-yl)phenyl]-N,N-diphenylaniline
SMILESc1ccc(-c2cc(-c3ccccc3)n(-c3ccc(-c4ccccc4N(c4ccccc4)c4ccccc4)cc3)n2)cc1
InChIInChI=1S/C39H29N3/c1-5-15-31(16-6-1)37-29-39(32-17-7-2-8-18-32)42(40-37)35-27-25-30(26-28-35)36-23-13-14-24-38(36)41(33-19-9-3-10-20-33)34-21-11-4-12-22-34/h1-29H
InChIKeyNJQGJDKDECRJNW-UHFFFAOYSA-N
MW539.68 g/mol
LogP10.34
Rot. Bonds7

About 2-[4-(3,5-diphenylpyrazol-1-yl)phenyl]-N,N-diphenylaniline

2-[4-(3,5-diphenylpyrazol-1-yl)phenyl]-N,N-diphenylaniline (PubChem CID 59500016) has the molecular formula C39H29N3 and a molecular weight of 539.68 g/mol. Its IUPAC name is 2-[4-(3,5-diphenylpyrazol-1-yl)phenyl]-N,N-diphenylaniline.

Molecular Properties

Compound Name2-[4-(3,5-diphenylpyrazol-1-yl)phenyl]-N,N-diphenylaniline
PubChem CID59500016
Molecular FormulaC39H29N3
Molecular Weight539.68 g/mol
Exact Mass539.24
IUPAC Name2-[4-(3,5-diphenylpyrazol-1-yl)phenyl]-N,N-diphenylaniline
SMILESc1ccc(-c2cc(-c3ccccc3)n(-c3ccc(-c4ccccc4N(c4ccccc4)c4ccccc4)cc3)n2)cc1
InChIInChI=1S/C39H29N3/c1-5-15-31(16-6-1)37-29-39(32-17-7-2-8-18-32)42(40-37)35-27-25-30(26-28-35)36-23-13-14-24-38(36)41(33-19-9-3-10-20-33)34-21-11-4-12-22-34/h1-29H
InChIKeyNJQGJDKDECRJNW-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

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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]-N,4-diphenylaniline
CID 59500037
N-[4-[2-[2-[4-(3,5-diphenylpyrazol-1-yl)phenyl]phenyl]phenyl]phenyl]-4-methyl-N-phenylaniline
CID 59501229
N-[4-(3,5-diphenylpyrazol-1-yl)phenyl]-4-methyl-N-phenylaniline
CID 59499972
4-[3-(4-tert-butylphenyl)-5-(4-phenylphenyl)pyrazol-1-yl]-N,N-diphenylaniline
CID 59499889
1,3,5-triphenylpyrazole
CID 626614
9-[4-[2-[2-[4-[3,5-bis(4-phenylphenyl)pyrazol-1-yl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 59501257
3-(4-fluorophenyl)-1,5-diphenylpyrazole
CID 14978147
N,2-diphenyl-N-(2-phenylphenyl)-4-[3-phenyl-4-(N-(2-phenylphenyl)anilino)phenyl]aniline
CID 121322799
1-N,1-N,3-N,5-N,5-N-pentakis-phenyl-3-N-(2-phenylphenyl)benzene-1,3,5-triamine
CID 164813791
9-[4-[2-[2-[4-[3-phenyl-5-(2-phenylphenyl)pyrazol-1-yl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 59501204
2-phenyl-N-(4-phenylphenyl)-N-[4-[2-[4-(4-phenyl-N-(2-phenylphenyl)anilino)phenyl]phenyl]phenyl]aniline
CID 121387002

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,5-diphenylpyrazol-1-yl)phenyl]-N,N-diphenylaniline?
The IUPAC name of 2-[4-(3,5-diphenylpyrazol-1-yl)phenyl]-N,N-diphenylaniline (CID 59500016) is 2-[4-(3,5-diphenylpyrazol-1-yl)phenyl]-N,N-diphenylaniline.
What is the SMILES notation for 2-[4-(3,5-diphenylpyrazol-1-yl)phenyl]-N,N-diphenylaniline?
The canonical SMILES for 2-[4-(3,5-diphenylpyrazol-1-yl)phenyl]-N,N-diphenylaniline is c1ccc(-c2cc(-c3ccccc3)n(-c3ccc(-c4ccccc4N(c4ccccc4)c4ccccc4)cc3)n2)cc1.
What is the InChIKey of 2-[4-(3,5-diphenylpyrazol-1-yl)phenyl]-N,N-diphenylaniline?
The InChIKey is NJQGJDKDECRJNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H29N3/c1-5-15-31(16-6-1)37-29-39(32-17-7-2-8-18-32)42(40-37)35-27-25-30(26-28-35)36-23-13-14-24-38(36)41(33-19-9-3-10-20-33)34-21-11-4-12-22-34/h1-29H.
What are the key properties of 2-[4-(3,5-diphenylpyrazol-1-yl)phenyl]-N,N-diphenylaniline?
2-[4-(3,5-diphenylpyrazol-1-yl)phenyl]-N,N-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 2-[4-(3,5-diphenylpyrazol-1-yl)phenyl]-N,N-diphenylaniline is sourced from PubChem (CID 59500016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).