3-[1-[3-(4-methyl-2-pyridinyl)phenyl]triazol-4-yl]-N,N-diphenylaniline

C32H25N5 — CID 158539257

IUPAC3-[1-[3-(4-methyl-2-pyridinyl)phenyl]triazol-4-yl]-N,N-diphenylaniline
SMILESCc1ccnc(-c2cccc(-n3cc(-c4cccc(N(c5ccccc5)c5ccccc5)c4)nn3)c2)c1
InChIInChI=1S/C32H25N5/c1-24-18-19-33-31(20-24)25-10-8-16-29(21-25)36-23-32(34-35-36)26-11-9-17-30(22-26)37(27-12-4-2-5-13-27)28-14-6-3-7-15-28/h2-23H,1H3
InChIKeyLMKDIEADZJZAGQ-UHFFFAOYSA-N
MW479.59 g/mol
LogP7.77
Rot. Bonds6

About 3-[1-[3-(4-methyl-2-pyridinyl)phenyl]triazol-4-yl]-N,N-diphenylaniline

3-[1-[3-(4-methyl-2-pyridinyl)phenyl]triazol-4-yl]-N,N-diphenylaniline (PubChem CID 158539257) has the molecular formula C32H25N5 and a molecular weight of 479.59 g/mol. Its IUPAC name is 3-[1-[3-(4-methyl-2-pyridinyl)phenyl]triazol-4-yl]-N,N-diphenylaniline.

Molecular Properties

Compound Name3-[1-[3-(4-methyl-2-pyridinyl)phenyl]triazol-4-yl]-N,N-diphenylaniline
PubChem CID158539257
Molecular FormulaC32H25N5
Molecular Weight479.59 g/mol
Exact Mass479.21
IUPAC Name3-[1-[3-(4-methyl-2-pyridinyl)phenyl]triazol-4-yl]-N,N-diphenylaniline
SMILESCc1ccnc(-c2cccc(-n3cc(-c4cccc(N(c5ccccc5)c5ccccc5)c4)nn3)c2)c1
InChIInChI=1S/C32H25N5/c1-24-18-19-33-31(20-24)25-10-8-16-29(21-25)36-23-32(34-35-36)26-11-9-17-30(22-26)37(27-12-4-2-5-13-27)28-14-6-3-7-15-28/h2-23H,1H3
InChIKeyLMKDIEADZJZAGQ-UHFFFAOYSA-N
XLogP7.77
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.59
LogP ≤ 57.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[1-[3-(4-methyl-2-pyridinyl)phenyl]triazol-4-yl]-N,N-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

1-(3-methylphenyl)-4-(4-methylphenyl)triazole
CID 153378101
N-[3-(4-methyl-2-pyridinyl)phenyl]-N,12-diphenyl-5-pyridin-2-ylindolo[2,3-g]carbazol-3-amine
CID 140884565
[1-[3-[N-(2,6-diphenylphenyl)-3-(4-methyl-2-pyridinyl)anilino]phenyl]-3-methylbenzimidazol-2-ylidene]platinum
CID 162500086
3-(4-methyl-2-pyridinyl)-N-[3-[4-[(3E)-penta-1,3-dien-3-yl]-2-pyridinyl]phenyl]-N-(4-phenylphenyl)aniline
CID 156870710
4-(3-methoxyphenyl)-1-(3-methylphenyl)triazole
CID 20977584
2-[1-(3-methylphenyl)triazol-4-yl]pyridine-4-carboxylic acid
CID 122191456
silver bis(4-methyl-2-phenylpyridine)
CID 140722040
9-(4-methyl-2-pyridinyl)-N,14-diphenyl-N-(3-pyridin-2-ylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-amine
CID 140884549
10-[3-(1-phenyltriazol-4-yl)phenyl]phenothiazine
CID 118303730
4-methyl-2-[4-(3-methylphenyl)triazol-1-yl]-6-phenylpyrimidine
CID 46900690
4-N-[3-(5-methyl-4-phenyl-2-pyridinyl)phenyl]-1-N,1-N-diphenyl-4-N-[3-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]benzene-1,4-diamine
CID 140908500
1-phenyl-4-(4-phenylphenyl)triazole
CID 140714352

Frequently Asked Questions

What is the IUPAC name of 3-[1-[3-(4-methyl-2-pyridinyl)phenyl]triazol-4-yl]-N,N-diphenylaniline?
The IUPAC name of 3-[1-[3-(4-methyl-2-pyridinyl)phenyl]triazol-4-yl]-N,N-diphenylaniline (CID 158539257) is 3-[1-[3-(4-methyl-2-pyridinyl)phenyl]triazol-4-yl]-N,N-diphenylaniline.
What is the SMILES notation for 3-[1-[3-(4-methyl-2-pyridinyl)phenyl]triazol-4-yl]-N,N-diphenylaniline?
The canonical SMILES for 3-[1-[3-(4-methyl-2-pyridinyl)phenyl]triazol-4-yl]-N,N-diphenylaniline is Cc1ccnc(-c2cccc(-n3cc(-c4cccc(N(c5ccccc5)c5ccccc5)c4)nn3)c2)c1.
What is the InChIKey of 3-[1-[3-(4-methyl-2-pyridinyl)phenyl]triazol-4-yl]-N,N-diphenylaniline?
The InChIKey is LMKDIEADZJZAGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H25N5/c1-24-18-19-33-31(20-24)25-10-8-16-29(21-25)36-23-32(34-35-36)26-11-9-17-30(22-26)37(27-12-4-2-5-13-27)28-14-6-3-7-15-28/h2-23H,1H3.
What are the key properties of 3-[1-[3-(4-methyl-2-pyridinyl)phenyl]triazol-4-yl]-N,N-diphenylaniline?
3-[1-[3-(4-methyl-2-pyridinyl)phenyl]triazol-4-yl]-N,N-diphenylaniline has a molecular weight of 479.59 g/mol, XLogP of 7.77, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[3-(4-methyl-2-pyridinyl)phenyl]triazol-4-yl]-N,N-diphenylaniline is sourced from PubChem (CID 158539257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).