N,N-diphenyl-4-[3-phenyl-5-(3-phenylphenyl)-1,2,4-triazol-1-yl]aniline

C38H28N4 — CID 59499896

IUPACN,N-diphenyl-4-[3-phenyl-5-(3-phenylphenyl)-1,2,4-triazol-1-yl]aniline
SMILESc1ccc(-c2cccc(-c3nc(-c4ccccc4)nn3-c3ccc(N(c4ccccc4)c4ccccc4)cc3)c2)cc1
InChIInChI=1S/C38H28N4/c1-5-14-29(15-6-1)31-18-13-19-32(28-31)38-39-37(30-16-7-2-8-17-30)40-42(38)36-26-24-35(25-27-36)41(33-20-9-3-10-21-33)34-22-11-4-12-23-34/h1-28H
InChIKeyPVWZYIYVVHPVCQ-UHFFFAOYSA-N
MW540.67 g/mol
LogP9.74
Rot. Bonds7

About N,N-diphenyl-4-[3-phenyl-5-(3-phenylphenyl)-1,2,4-triazol-1-yl]aniline

N,N-diphenyl-4-[3-phenyl-5-(3-phenylphenyl)-1,2,4-triazol-1-yl]aniline (PubChem CID 59499896) has the molecular formula C38H28N4 and a molecular weight of 540.67 g/mol. Its IUPAC name is N,N-diphenyl-4-[3-phenyl-5-(3-phenylphenyl)-1,2,4-triazol-1-yl]aniline.

Molecular Properties

Compound NameN,N-diphenyl-4-[3-phenyl-5-(3-phenylphenyl)-1,2,4-triazol-1-yl]aniline
PubChem CID59499896
Molecular FormulaC38H28N4
Molecular Weight540.67 g/mol
Exact Mass540.23
IUPAC NameN,N-diphenyl-4-[3-phenyl-5-(3-phenylphenyl)-1,2,4-triazol-1-yl]aniline
SMILESc1ccc(-c2cccc(-c3nc(-c4ccccc4)nn3-c3ccc(N(c4ccccc4)c4ccccc4)cc3)c2)cc1
InChIInChI=1S/C38H28N4/c1-5-14-29(15-6-1)31-18-13-19-32(28-31)38-39-37(30-16-7-2-8-17-30)40-42(38)36-26-24-35(25-27-36)41(33-20-9-3-10-21-33)34-22-11-4-12-23-34/h1-28H
InChIKeyPVWZYIYVVHPVCQ-UHFFFAOYSA-N
XLogP9.74
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.67
LogP ≤ 59.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(3,5-diphenyl-1,2,4-triazol-1-yl)phenyl]-N,4-diphenylaniline
CID 59499881
4-[5-(4-methylphenyl)-3-phenyl-1,2,4-triazol-1-yl]-N,N-diphenylaniline
CID 59500022
N-[4-[2-[2-[4-(3,5-diphenyl-1,2,4-triazol-1-yl)phenyl]phenyl]phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
CID 59501284
N-[4-(3,5-diphenyl-1,2,4-triazol-1-yl)phenyl]-N,4-diphenylaniline;N-[4-(3,5-diphenyl-1,2,4-triazol-1-yl)phenyl]-4-naphthalen-1-yl-N-phenylaniline;N-[4-(3,5-diphenyl-1,2,4-triazol-1-yl)phenyl]-4-naphthalen-2-yl-N-phenylaniline;N-[4-(3,5-diphenyl-1,2,4-triazol-1-yl)phenyl]-N-phenyl-4-(2,4,6-trimethylphenyl)aniline
CID 161386280
1-(3-methylphenyl)-5-phenyl-3-(3-phenylphenyl)-1,2,4-triazole
CID 130289066
N,N-diphenyl-4-[4-(N-[4-[3-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]anilino)phenyl]aniline
CID 59566446
N-[4-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-4-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 58028600
4-phenyl-N-(4-phenylphenyl)-N-[4-[4-[4-[3-(4-phenylphenyl)phenyl]-N-[4-[3-(4-phenylphenyl)phenyl]phenyl]anilino]phenyl]phenyl]aniline
CID 58672379
4-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 134370557
4-phenyl-N-[4-(3-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 118314823
1-[4-[(E)-2-[4-(3,5-diphenyl-1,2,4-triazol-1-yl)phenyl]ethenyl]phenyl]-3,5-diphenyl-1,2,4-triazole
CID 89201714
9-[4-(3,5-diphenyl-1,2,4-triazol-1-yl)phenyl]-3,6-bis(3-phenylphenyl)carbazole;9-[4-[5-(4-naphthalen-2-ylphenyl)-3-phenyl-1,2,4-triazol-1-yl]phenyl]carbazole;9-[4-[3-phenyl-5-(3-phenylphenyl)-1,2,4-triazol-1-yl]phenyl]carbazole
CID 159980819

Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-4-[3-phenyl-5-(3-phenylphenyl)-1,2,4-triazol-1-yl]aniline?
The IUPAC name of N,N-diphenyl-4-[3-phenyl-5-(3-phenylphenyl)-1,2,4-triazol-1-yl]aniline (CID 59499896) is N,N-diphenyl-4-[3-phenyl-5-(3-phenylphenyl)-1,2,4-triazol-1-yl]aniline.
What is the SMILES notation for N,N-diphenyl-4-[3-phenyl-5-(3-phenylphenyl)-1,2,4-triazol-1-yl]aniline?
The canonical SMILES for N,N-diphenyl-4-[3-phenyl-5-(3-phenylphenyl)-1,2,4-triazol-1-yl]aniline is c1ccc(-c2cccc(-c3nc(-c4ccccc4)nn3-c3ccc(N(c4ccccc4)c4ccccc4)cc3)c2)cc1.
What is the InChIKey of N,N-diphenyl-4-[3-phenyl-5-(3-phenylphenyl)-1,2,4-triazol-1-yl]aniline?
The InChIKey is PVWZYIYVVHPVCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H28N4/c1-5-14-29(15-6-1)31-18-13-19-32(28-31)38-39-37(30-16-7-2-8-17-30)40-42(38)36-26-24-35(25-27-36)41(33-20-9-3-10-21-33)34-22-11-4-12-23-34/h1-28H.
What are the key properties of N,N-diphenyl-4-[3-phenyl-5-(3-phenylphenyl)-1,2,4-triazol-1-yl]aniline?
N,N-diphenyl-4-[3-phenyl-5-(3-phenylphenyl)-1,2,4-triazol-1-yl]aniline has a molecular weight of 540.67 g/mol, XLogP of 9.74, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diphenyl-4-[3-phenyl-5-(3-phenylphenyl)-1,2,4-triazol-1-yl]aniline is sourced from PubChem (CID 59499896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).