4-[3,5-bis(4-fluorophenyl)-1,2,4-triazol-4-yl]-N,N-diphenylaniline

C32H22F2N4 — CID 102388194

IUPAC4-[3,5-bis(4-fluorophenyl)-1,2,4-triazol-4-yl]-N,N-diphenylaniline
SMILESFc1ccc(-c2nnc(-c3ccc(F)cc3)n2-c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1
InChIInChI=1S/C32H22F2N4/c33-25-15-11-23(12-16-25)31-35-36-32(24-13-17-26(34)18-14-24)38(31)30-21-19-29(20-22-30)37(27-7-3-1-4-8-27)28-9-5-2-6-10-28/h1-22H
InChIKeyYVJITGGZNIRNIU-UHFFFAOYSA-N
MW500.55 g/mol
LogP8.35
Rot. Bonds6

About 4-[3,5-bis(4-fluorophenyl)-1,2,4-triazol-4-yl]-N,N-diphenylaniline

4-[3,5-bis(4-fluorophenyl)-1,2,4-triazol-4-yl]-N,N-diphenylaniline (PubChem CID 102388194) has the molecular formula C32H22F2N4 and a molecular weight of 500.55 g/mol. Its IUPAC name is 4-[3,5-bis(4-fluorophenyl)-1,2,4-triazol-4-yl]-N,N-diphenylaniline.

Molecular Properties

Compound Name4-[3,5-bis(4-fluorophenyl)-1,2,4-triazol-4-yl]-N,N-diphenylaniline
PubChem CID102388194
Molecular FormulaC32H22F2N4
Molecular Weight500.55 g/mol
Exact Mass500.18
IUPAC Name4-[3,5-bis(4-fluorophenyl)-1,2,4-triazol-4-yl]-N,N-diphenylaniline
SMILESFc1ccc(-c2nnc(-c3ccc(F)cc3)n2-c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1
InChIInChI=1S/C32H22F2N4/c33-25-15-11-23(12-16-25)31-35-36-32(24-13-17-26(34)18-14-24)38(31)30-21-19-29(20-22-30)37(27-7-3-1-4-8-27)28-9-5-2-6-10-28/h1-22H
InChIKeyYVJITGGZNIRNIU-UHFFFAOYSA-N
XLogP8.35
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.55
LogP ≤ 58.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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-[2-[2-[4-[4-phenyl-5-(4-phenylphenyl)-1,2,4-triazol-3-yl]phenyl]phenyl]phenyl]aniline
CID 59501541
3-(4-fluorophenyl)-4-phenyl-5-propan-2-yl-1,2,4-triazole
CID 58068634
9-(4-fluorophenyl)-N-[4-[4-(N-[9-(4-fluorophenyl)carbazol-2-yl]-4-methylanilino)phenyl]phenyl]-N-phenylcarbazol-2-amine
CID 176642990
N-(4-fluorophenyl)-4-[9-(4-methylphenyl)carbazol-3-yl]-N-phenylaniline
CID 90194000
4-[2-[2-[4-[5-(4-naphthalen-2-ylphenyl)-4-phenyl-1,2,4-triazol-3-yl]phenyl]phenyl]phenyl]-N,N-diphenylaniline
CID 59501483
3-(3-bromophenyl)-4,5-bis(4-fluorophenyl)-1,2,4-triazole
CID 135227750
4-N-[4-[15-(4-fluorophenyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-yl]phenyl]-1-N,1-N-diphenyl-4-N-(4-phenylphenyl)benzene-1,4-diamine
CID 90148410
N-[4-[2-[2-[4-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]phenyl]phenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine
CID 59501492
N-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-N,4-bis(4-fluorophenyl)aniline
CID 90193949
9-(4-fluorophenyl)-N-phenyl-N-(4-phenylphenyl)-6-triphenylsilylcarbazol-3-amine
CID 59720545
N-[4-[15-(4-fluorophenyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 90148393

Frequently Asked Questions

What is the IUPAC name of 4-[3,5-bis(4-fluorophenyl)-1,2,4-triazol-4-yl]-N,N-diphenylaniline?
The IUPAC name of 4-[3,5-bis(4-fluorophenyl)-1,2,4-triazol-4-yl]-N,N-diphenylaniline (CID 102388194) is 4-[3,5-bis(4-fluorophenyl)-1,2,4-triazol-4-yl]-N,N-diphenylaniline.
What is the SMILES notation for 4-[3,5-bis(4-fluorophenyl)-1,2,4-triazol-4-yl]-N,N-diphenylaniline?
The canonical SMILES for 4-[3,5-bis(4-fluorophenyl)-1,2,4-triazol-4-yl]-N,N-diphenylaniline is Fc1ccc(-c2nnc(-c3ccc(F)cc3)n2-c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1.
What is the InChIKey of 4-[3,5-bis(4-fluorophenyl)-1,2,4-triazol-4-yl]-N,N-diphenylaniline?
The InChIKey is YVJITGGZNIRNIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H22F2N4/c33-25-15-11-23(12-16-25)31-35-36-32(24-13-17-26(34)18-14-24)38(31)30-21-19-29(20-22-30)37(27-7-3-1-4-8-27)28-9-5-2-6-10-28/h1-22H.
What are the key properties of 4-[3,5-bis(4-fluorophenyl)-1,2,4-triazol-4-yl]-N,N-diphenylaniline?
4-[3,5-bis(4-fluorophenyl)-1,2,4-triazol-4-yl]-N,N-diphenylaniline has a molecular weight of 500.55 g/mol, XLogP of 8.35, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3,5-bis(4-fluorophenyl)-1,2,4-triazol-4-yl]-N,N-diphenylaniline is sourced from PubChem (CID 102388194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).