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

C38H28N4 — CID 59499881

IUPACN-[4-(3,5-diphenyl-1,2,4-triazol-1-yl)phenyl]-N,4-diphenylaniline
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccc(-n4nc(-c5ccccc5)nc4-c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C38H28N4/c1-5-13-29(14-6-1)30-21-23-34(24-22-30)41(33-19-11-4-12-20-33)35-25-27-36(28-26-35)42-38(32-17-9-3-10-18-32)39-37(40-42)31-15-7-2-8-16-31/h1-28H
InChIKeyXNBIMBANRVUOMH-UHFFFAOYSA-N
MW540.67 g/mol
LogP9.74
Rot. Bonds7

About 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]-N,4-diphenylaniline (PubChem CID 59499881) has the molecular formula C38H28N4 and a molecular weight of 540.67 g/mol. Its IUPAC name is N-[4-(3,5-diphenyl-1,2,4-triazol-1-yl)phenyl]-N,4-diphenylaniline.

Molecular Properties

Compound NameN-[4-(3,5-diphenyl-1,2,4-triazol-1-yl)phenyl]-N,4-diphenylaniline
PubChem CID59499881
Molecular FormulaC38H28N4
Molecular Weight540.67 g/mol
Exact Mass540.23
IUPAC NameN-[4-(3,5-diphenyl-1,2,4-triazol-1-yl)phenyl]-N,4-diphenylaniline
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccc(-n4nc(-c5ccccc5)nc4-c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C38H28N4/c1-5-13-29(14-6-1)30-21-23-34(24-22-30)41(33-19-11-4-12-20-33)35-25-27-36(28-26-35)42-38(32-17-9-3-10-18-32)39-37(40-42)31-15-7-2-8-16-31/h1-28H
InChIKeyXNBIMBANRVUOMH-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

4-[5-(4-methylphenyl)-3-phenyl-1,2,4-triazol-1-yl]-N,N-diphenylaniline
CID 59500022
N,N-diphenyl-4-[3-phenyl-5-(3-phenylphenyl)-1,2,4-triazol-1-yl]aniline
CID 59499896
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
9-[4-[3,5-bis(4-phenylphenyl)-1,2,4-triazol-1-yl]phenyl]carbazole
CID 59500053
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
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
4-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N-phenylaniline
CID 130353169
4-[4-[4,5-bis[4-[4-(N-phenylanilino)phenyl]phenyl]-1,2,4-triazol-3-yl]phenyl]-N,N-diphenylaniline
CID 102173771
N,N-diphenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline;N,4-diphenyl-N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 159598544
N-phenyl-4-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline
CID 58925038
N,4-diphenyl-N-[4-[4-(4-phenyl-N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;4-phenyl-N-[4-(4-phenylphenyl)phenyl]-N-[4-[4-(4-phenyl-N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline
CID 160679121
1-N,1-N-diphenyl-4-N-[4-[4-[4-[N-[4-(N-phenylanilino)phenyl]-4-(4-phenylphenyl)anilino]phenyl]phenyl]phenyl]-4-N-(4-phenylphenyl)benzene-1,4-diamine
CID 59601029

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,5-diphenyl-1,2,4-triazol-1-yl)phenyl]-N,4-diphenylaniline?
The IUPAC name of N-[4-(3,5-diphenyl-1,2,4-triazol-1-yl)phenyl]-N,4-diphenylaniline (CID 59499881) is N-[4-(3,5-diphenyl-1,2,4-triazol-1-yl)phenyl]-N,4-diphenylaniline.
What is the SMILES notation for N-[4-(3,5-diphenyl-1,2,4-triazol-1-yl)phenyl]-N,4-diphenylaniline?
The canonical SMILES for N-[4-(3,5-diphenyl-1,2,4-triazol-1-yl)phenyl]-N,4-diphenylaniline is c1ccc(-c2ccc(N(c3ccccc3)c3ccc(-n4nc(-c5ccccc5)nc4-c4ccccc4)cc3)cc2)cc1.
What is the InChIKey of N-[4-(3,5-diphenyl-1,2,4-triazol-1-yl)phenyl]-N,4-diphenylaniline?
The InChIKey is XNBIMBANRVUOMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H28N4/c1-5-13-29(14-6-1)30-21-23-34(24-22-30)41(33-19-11-4-12-20-33)35-25-27-36(28-26-35)42-38(32-17-9-3-10-18-32)39-37(40-42)31-15-7-2-8-16-31/h1-28H.
What are the key properties of 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]-N,4-diphenylaniline 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-[4-(3,5-diphenyl-1,2,4-triazol-1-yl)phenyl]-N,4-diphenylaniline is sourced from PubChem (CID 59499881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).