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

C60H42N4 — CID 59501483

IUPAC4-[2-[2-[4-[5-(4-naphthalen-2-ylphenyl)-4-phenyl-1,2,4-triazol-3-yl]phenyl]phenyl]phenyl]-N,N-diphenylaniline
SMILESc1ccc(N(c2ccccc2)c2ccc(-c3ccccc3-c3ccccc3-c3ccc(-c4nnc(-c5ccc(-c6ccc7ccccc7c6)cc5)n4-c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C60H42N4/c1-4-18-51(19-5-1)63(52-20-6-2-7-21-52)54-40-38-46(39-41-54)56-25-13-15-27-58(56)57-26-14-12-24-55(57)45-31-35-48(36-32-45)60-62-61-59(64(60)53-22-8-3-9-23-53)47-33-28-44(29-34-47)50-37-30-43-16-10-11-17-49(43)42-50/h1-42H
InChIKeyITUNFHJTAZNZRY-UHFFFAOYSA-N
MW819.02 g/mol
LogP15.89
Rot. Bonds10

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

4-[2-[2-[4-[5-(4-naphthalen-2-ylphenyl)-4-phenyl-1,2,4-triazol-3-yl]phenyl]phenyl]phenyl]-N,N-diphenylaniline (PubChem CID 59501483) has the molecular formula C60H42N4 and a molecular weight of 819.02 g/mol. Its IUPAC name is 4-[2-[2-[4-[5-(4-naphthalen-2-ylphenyl)-4-phenyl-1,2,4-triazol-3-yl]phenyl]phenyl]phenyl]-N,N-diphenylaniline.

Molecular Properties

Compound Name4-[2-[2-[4-[5-(4-naphthalen-2-ylphenyl)-4-phenyl-1,2,4-triazol-3-yl]phenyl]phenyl]phenyl]-N,N-diphenylaniline
PubChem CID59501483
Molecular FormulaC60H42N4
Molecular Weight819.02 g/mol
Exact Mass818.34
IUPAC Name4-[2-[2-[4-[5-(4-naphthalen-2-ylphenyl)-4-phenyl-1,2,4-triazol-3-yl]phenyl]phenyl]phenyl]-N,N-diphenylaniline
SMILESc1ccc(N(c2ccccc2)c2ccc(-c3ccccc3-c3ccccc3-c3ccc(-c4nnc(-c5ccc(-c6ccc7ccccc7c6)cc5)n4-c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C60H42N4/c1-4-18-51(19-5-1)63(52-20-6-2-7-21-52)54-40-38-46(39-41-54)56-25-13-15-27-58(56)57-26-14-12-24-55(57)45-31-35-48(36-32-45)60-62-61-59(64(60)53-22-8-3-9-23-53)47-33-28-44(29-34-47)50-37-30-43-16-10-11-17-49(43)42-50/h1-42H
InChIKeyITUNFHJTAZNZRY-UHFFFAOYSA-N
XLogP15.89
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500819.02
LogP ≤ 515.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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,N-diphenyl-4-[2-[2-[4-[4-phenyl-5-(4-phenylphenyl)-1,2,4-triazol-3-yl]phenyl]phenyl]phenyl]aniline
CID 59501541
4-[4-[4,5-bis[4-[4-(N-phenylanilino)phenyl]phenyl]-1,2,4-triazol-3-yl]phenyl]-N,N-diphenylaniline
CID 102173771
N-phenyl-4-(7-phenylnaphthalen-2-yl)-N-[4-(2-phenylphenyl)phenyl]aniline
CID 139352483
3-(5,9-diphenylcarbazol-4-yl)-N-(4-naphthalen-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 167194998
N-[4-(3-naphthalen-2-ylphenyl)phenyl]-3-phenyl-N-[4-(2-phenylphenyl)phenyl]aniline
CID 166566338
N-(4-naphthalen-2-ylphenyl)-9-phenyl-5-(2-phenylphenyl)-N-(4-phenylphenyl)carbazol-2-amine
CID 169010246
7-naphthalen-1-yl-N-(4-naphthalen-2-ylphenyl)-N,9-diphenylcarbazol-2-amine
CID 146573851
N-(4-naphthalen-2-ylphenyl)-3-phenyl-N-[4-(3-phenylbenzo[f]benzimidazol-2-yl)phenyl]aniline
CID 163479113
7-naphthalen-2-yl-N,N,9-triphenylcarbazol-2-amine
CID 146573850
N-(4-carbazol-9-ylphenyl)-4-(6-naphthalen-2-yl-9-phenylcarbazol-3-yl)-N-phenylaniline;N-(4-carbazol-9-ylphenyl)-N-phenyl-4-[9-phenyl-6-(2-phenylphenyl)carbazol-3-yl]aniline;N-(4-carbazol-9-ylphenyl)-N-phenyl-4-[9-phenyl-6-(3-phenylphenyl)carbazol-3-yl]aniline;N-(4-carbazol-9-ylphenyl)-N-phenyl-4-[9-phenyl-6-(4-phenylphenyl)carbazol-3-yl]aniline
CID 158908481
N-(4-naphthalen-2-ylphenyl)-4-phenyl-N-[4-[3-phenyl-4-(4-phenylphenyl)phenyl]phenyl]aniline
CID 167003722

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-[4-[5-(4-naphthalen-2-ylphenyl)-4-phenyl-1,2,4-triazol-3-yl]phenyl]phenyl]phenyl]-N,N-diphenylaniline?
The IUPAC name of 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) is 4-[2-[2-[4-[5-(4-naphthalen-2-ylphenyl)-4-phenyl-1,2,4-triazol-3-yl]phenyl]phenyl]phenyl]-N,N-diphenylaniline.
What is the SMILES notation for 4-[2-[2-[4-[5-(4-naphthalen-2-ylphenyl)-4-phenyl-1,2,4-triazol-3-yl]phenyl]phenyl]phenyl]-N,N-diphenylaniline?
The canonical SMILES for 4-[2-[2-[4-[5-(4-naphthalen-2-ylphenyl)-4-phenyl-1,2,4-triazol-3-yl]phenyl]phenyl]phenyl]-N,N-diphenylaniline is c1ccc(N(c2ccccc2)c2ccc(-c3ccccc3-c3ccccc3-c3ccc(-c4nnc(-c5ccc(-c6ccc7ccccc7c6)cc5)n4-c4ccccc4)cc3)cc2)cc1.
What is the InChIKey of 4-[2-[2-[4-[5-(4-naphthalen-2-ylphenyl)-4-phenyl-1,2,4-triazol-3-yl]phenyl]phenyl]phenyl]-N,N-diphenylaniline?
The InChIKey is ITUNFHJTAZNZRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H42N4/c1-4-18-51(19-5-1)63(52-20-6-2-7-21-52)54-40-38-46(39-41-54)56-25-13-15-27-58(56)57-26-14-12-24-55(57)45-31-35-48(36-32-45)60-62-61-59(64(60)53-22-8-3-9-23-53)47-33-28-44(29-34-47)50-37-30-43-16-10-11-17-49(43)42-50/h1-42H.
What are the key properties of 4-[2-[2-[4-[5-(4-naphthalen-2-ylphenyl)-4-phenyl-1,2,4-triazol-3-yl]phenyl]phenyl]phenyl]-N,N-diphenylaniline?
4-[2-[2-[4-[5-(4-naphthalen-2-ylphenyl)-4-phenyl-1,2,4-triazol-3-yl]phenyl]phenyl]phenyl]-N,N-diphenylaniline has a molecular weight of 819.02 g/mol, XLogP of 15.89, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-[4-[5-(4-naphthalen-2-ylphenyl)-4-phenyl-1,2,4-triazol-3-yl]phenyl]phenyl]phenyl]-N,N-diphenylaniline is sourced from PubChem (CID 59501483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).