4-(2-carbazol-9-ylphenyl)-N-[2-(4-naphthalen-1-ylphenyl)phenyl]-N,2-diphenylaniline

C58H40N2 — CID 174310339

IUPAC4-(2-carbazol-9-ylphenyl)-N-[2-(4-naphthalen-1-ylphenyl)phenyl]-N,2-diphenylaniline
SMILESc1ccc(-c2cc(-c3ccccc3-n3c4ccccc4c4ccccc43)ccc2N(c2ccccc2)c2ccccc2-c2ccc(-c3cccc4ccccc34)cc2)cc1
InChIInChI=1S/C58H40N2/c1-3-18-42(19-4-1)53-40-45(50-26-10-14-31-55(50)60-56-32-15-11-27-51(56)52-28-12-16-33-57(52)60)38-39-58(53)59(46-22-5-2-6-23-46)54-30-13-9-25-49(54)44-36-34-43(35-37-44)48-29-17-21-41-20-7-8-24-47(41)48/h1-40H
InChIKeySSSZBHGLGCJFGG-UHFFFAOYSA-N
MW764.97 g/mol
LogP16.07
Rot. Bonds8

About 4-(2-carbazol-9-ylphenyl)-N-[2-(4-naphthalen-1-ylphenyl)phenyl]-N,2-diphenylaniline

4-(2-carbazol-9-ylphenyl)-N-[2-(4-naphthalen-1-ylphenyl)phenyl]-N,2-diphenylaniline (PubChem CID 174310339) has the molecular formula C58H40N2 and a molecular weight of 764.97 g/mol. Its IUPAC name is 4-(2-carbazol-9-ylphenyl)-N-[2-(4-naphthalen-1-ylphenyl)phenyl]-N,2-diphenylaniline.

Molecular Properties

Compound Name4-(2-carbazol-9-ylphenyl)-N-[2-(4-naphthalen-1-ylphenyl)phenyl]-N,2-diphenylaniline
PubChem CID174310339
Molecular FormulaC58H40N2
Molecular Weight764.97 g/mol
Exact Mass764.32
IUPAC Name4-(2-carbazol-9-ylphenyl)-N-[2-(4-naphthalen-1-ylphenyl)phenyl]-N,2-diphenylaniline
SMILESc1ccc(-c2cc(-c3ccccc3-n3c4ccccc4c4ccccc43)ccc2N(c2ccccc2)c2ccccc2-c2ccc(-c3cccc4ccccc34)cc2)cc1
InChIInChI=1S/C58H40N2/c1-3-18-42(19-4-1)53-40-45(50-26-10-14-31-55(50)60-56-32-15-11-27-51(56)52-28-12-16-33-57(52)60)38-39-58(53)59(46-22-5-2-6-23-46)54-30-13-9-25-49(54)44-36-34-43(35-37-44)48-29-17-21-41-20-7-8-24-47(41)48/h1-40H
InChIKeySSSZBHGLGCJFGG-UHFFFAOYSA-N
XLogP16.07
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500764.97
LogP ≤ 516.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)naphthalen-1-amine
CID 139339073
N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-[4-(2-naphthalen-1-ylphenyl)phenyl]-2-phenylaniline
CID 167322298
N-[4-(2-carbazol-9-ylphenyl)phenyl]-5-naphthalen-1-yl-2-phenyl-N-(3-phenylphenyl)aniline
CID 167234687
N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-phenyl-2-(3-phenylphenyl)aniline
CID 167322460
N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-4-phenylaniline
CID 162491110
N-[4-[2-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]phenyl]-N,2-diphenylaniline
CID 118103122
N,N-bis[4-(2-carbazol-9-ylphenyl)phenyl]-2-phenylaniline
CID 142416181
N-[4-(2-benzo[b]carbazol-5-ylphenyl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline
CID 134380684
N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)-5-phenanthren-9-yl-2-phenylaniline
CID 167234152
N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-[4-[3-(4-phenylphenyl)phenyl]phenyl]naphthalen-1-amine
CID 167322665
4-(2-carbazol-9-ylphenyl)-N-(4-naphthalen-1-ylnaphthalen-1-yl)-N-(2-phenylphenyl)naphthalen-1-amine
CID 167227712
N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-[4-(2-naphthalen-2-ylphenyl)phenyl]-2-phenylaniline
CID 167322263

Frequently Asked Questions

What is the IUPAC name of 4-(2-carbazol-9-ylphenyl)-N-[2-(4-naphthalen-1-ylphenyl)phenyl]-N,2-diphenylaniline?
The IUPAC name of 4-(2-carbazol-9-ylphenyl)-N-[2-(4-naphthalen-1-ylphenyl)phenyl]-N,2-diphenylaniline (CID 174310339) is 4-(2-carbazol-9-ylphenyl)-N-[2-(4-naphthalen-1-ylphenyl)phenyl]-N,2-diphenylaniline.
What is the SMILES notation for 4-(2-carbazol-9-ylphenyl)-N-[2-(4-naphthalen-1-ylphenyl)phenyl]-N,2-diphenylaniline?
The canonical SMILES for 4-(2-carbazol-9-ylphenyl)-N-[2-(4-naphthalen-1-ylphenyl)phenyl]-N,2-diphenylaniline is c1ccc(-c2cc(-c3ccccc3-n3c4ccccc4c4ccccc43)ccc2N(c2ccccc2)c2ccccc2-c2ccc(-c3cccc4ccccc34)cc2)cc1.
What is the InChIKey of 4-(2-carbazol-9-ylphenyl)-N-[2-(4-naphthalen-1-ylphenyl)phenyl]-N,2-diphenylaniline?
The InChIKey is SSSZBHGLGCJFGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H40N2/c1-3-18-42(19-4-1)53-40-45(50-26-10-14-31-55(50)60-56-32-15-11-27-51(56)52-28-12-16-33-57(52)60)38-39-58(53)59(46-22-5-2-6-23-46)54-30-13-9-25-49(54)44-36-34-43(35-37-44)48-29-17-21-41-20-7-8-24-47(41)48/h1-40H.
What are the key properties of 4-(2-carbazol-9-ylphenyl)-N-[2-(4-naphthalen-1-ylphenyl)phenyl]-N,2-diphenylaniline?
4-(2-carbazol-9-ylphenyl)-N-[2-(4-naphthalen-1-ylphenyl)phenyl]-N,2-diphenylaniline has a molecular weight of 764.97 g/mol, XLogP of 16.07, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-carbazol-9-ylphenyl)-N-[2-(4-naphthalen-1-ylphenyl)phenyl]-N,2-diphenylaniline is sourced from PubChem (CID 174310339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).