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

C56H40N4 — CID 59501541

IUPACN,N-diphenyl-4-[2-[2-[4-[4-phenyl-5-(4-phenylphenyl)-1,2,4-triazol-3-yl]phenyl]phenyl]phenyl]aniline
SMILESc1ccc(-c2ccc(-c3nnc(-c4ccc(-c5ccccc5-c5ccccc5-c5ccc(N(c6ccccc6)c6ccccc6)cc5)cc4)n3-c3ccccc3)cc2)cc1
InChIInChI=1S/C56H40N4/c1-5-17-41(18-6-1)42-29-33-45(34-30-42)55-57-58-56(60(55)49-23-11-4-12-24-49)46-35-31-43(32-36-46)51-25-13-15-27-53(51)54-28-16-14-26-52(54)44-37-39-50(40-38-44)59(47-19-7-2-8-20-47)48-21-9-3-10-22-48/h1-40H
InChIKeyLNUSOGDSOZJMPH-UHFFFAOYSA-N
MW768.96 g/mol
LogP14.74
Rot. Bonds10

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

N,N-diphenyl-4-[2-[2-[4-[4-phenyl-5-(4-phenylphenyl)-1,2,4-triazol-3-yl]phenyl]phenyl]phenyl]aniline (PubChem CID 59501541) has the molecular formula C56H40N4 and a molecular weight of 768.96 g/mol. Its IUPAC name is N,N-diphenyl-4-[2-[2-[4-[4-phenyl-5-(4-phenylphenyl)-1,2,4-triazol-3-yl]phenyl]phenyl]phenyl]aniline.

Molecular Properties

Compound NameN,N-diphenyl-4-[2-[2-[4-[4-phenyl-5-(4-phenylphenyl)-1,2,4-triazol-3-yl]phenyl]phenyl]phenyl]aniline
PubChem CID59501541
Molecular FormulaC56H40N4
Molecular Weight768.96 g/mol
Exact Mass768.33
IUPAC NameN,N-diphenyl-4-[2-[2-[4-[4-phenyl-5-(4-phenylphenyl)-1,2,4-triazol-3-yl]phenyl]phenyl]phenyl]aniline
SMILESc1ccc(-c2ccc(-c3nnc(-c4ccc(-c5ccccc5-c5ccccc5-c5ccc(N(c6ccccc6)c6ccccc6)cc5)cc4)n3-c3ccccc3)cc2)cc1
InChIInChI=1S/C56H40N4/c1-5-17-41(18-6-1)42-29-33-45(34-30-42)55-57-58-56(60(55)49-23-11-4-12-24-49)46-35-31-43(32-36-46)51-25-13-15-27-53(51)54-28-16-14-26-52(54)44-37-39-50(40-38-44)59(47-19-7-2-8-20-47)48-21-9-3-10-22-48/h1-40H
InChIKeyLNUSOGDSOZJMPH-UHFFFAOYSA-N
XLogP14.74
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500768.96
LogP ≤ 514.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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
4-[4-[4,5-bis[4-[4-(N-phenylanilino)phenyl]phenyl]-1,2,4-triazol-3-yl]phenyl]-N,N-diphenylaniline
CID 102173771
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
4-[3,5-bis(4-fluorophenyl)-1,2,4-triazol-4-yl]-N,N-diphenylaniline
CID 102388194
N-[4-[2-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 121386996
4-[2-(7,9-diphenylcarbazol-2-yl)phenyl]-N,N-diphenylaniline
CID 118337160
4-phenyl-N-[4-(2-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 146665483
9-[4-[4-phenyl-5-(2-phenylphenyl)-1,2,4-triazol-3-yl]phenyl]carbazole
CID 59845028
4-[2-(6,9-diphenylcarbazol-2-yl)phenyl]-N,N-diphenylaniline
CID 118337175
4-phenyl-N-[4-[2-[2-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 59228387
2,6-diphenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 90132236
3-(5,9-diphenylcarbazol-4-yl)-N,N-bis[4-(4-phenylphenyl)phenyl]aniline
CID 166659553

Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-4-[2-[2-[4-[4-phenyl-5-(4-phenylphenyl)-1,2,4-triazol-3-yl]phenyl]phenyl]phenyl]aniline?
The IUPAC name of N,N-diphenyl-4-[2-[2-[4-[4-phenyl-5-(4-phenylphenyl)-1,2,4-triazol-3-yl]phenyl]phenyl]phenyl]aniline (CID 59501541) is N,N-diphenyl-4-[2-[2-[4-[4-phenyl-5-(4-phenylphenyl)-1,2,4-triazol-3-yl]phenyl]phenyl]phenyl]aniline.
What is the SMILES notation for N,N-diphenyl-4-[2-[2-[4-[4-phenyl-5-(4-phenylphenyl)-1,2,4-triazol-3-yl]phenyl]phenyl]phenyl]aniline?
The canonical SMILES for N,N-diphenyl-4-[2-[2-[4-[4-phenyl-5-(4-phenylphenyl)-1,2,4-triazol-3-yl]phenyl]phenyl]phenyl]aniline is c1ccc(-c2ccc(-c3nnc(-c4ccc(-c5ccccc5-c5ccccc5-c5ccc(N(c6ccccc6)c6ccccc6)cc5)cc4)n3-c3ccccc3)cc2)cc1.
What is the InChIKey of N,N-diphenyl-4-[2-[2-[4-[4-phenyl-5-(4-phenylphenyl)-1,2,4-triazol-3-yl]phenyl]phenyl]phenyl]aniline?
The InChIKey is LNUSOGDSOZJMPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H40N4/c1-5-17-41(18-6-1)42-29-33-45(34-30-42)55-57-58-56(60(55)49-23-11-4-12-24-49)46-35-31-43(32-36-46)51-25-13-15-27-53(51)54-28-16-14-26-52(54)44-37-39-50(40-38-44)59(47-19-7-2-8-20-47)48-21-9-3-10-22-48/h1-40H.
What are the key properties of N,N-diphenyl-4-[2-[2-[4-[4-phenyl-5-(4-phenylphenyl)-1,2,4-triazol-3-yl]phenyl]phenyl]phenyl]aniline?
N,N-diphenyl-4-[2-[2-[4-[4-phenyl-5-(4-phenylphenyl)-1,2,4-triazol-3-yl]phenyl]phenyl]phenyl]aniline has a molecular weight of 768.96 g/mol, XLogP of 14.74, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diphenyl-4-[2-[2-[4-[4-phenyl-5-(4-phenylphenyl)-1,2,4-triazol-3-yl]phenyl]phenyl]phenyl]aniline is sourced from PubChem (CID 59501541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).