4-(2-carbazol-9-ylphenyl)-N-[3-(4-naphthalen-1-ylphenyl)phenyl]-N,3-diphenylaniline

C58H40N2 — CID 174310000

IUPAC4-(2-carbazol-9-ylphenyl)-N-[3-(4-naphthalen-1-ylphenyl)phenyl]-N,3-diphenylaniline
SMILESc1ccc(-c2cc(N(c3ccccc3)c3cccc(-c4ccc(-c5cccc6ccccc56)cc4)c3)ccc2-c2ccccc2-n2c3ccccc3c3ccccc32)cc1
InChIInChI=1S/C58H40N2/c1-3-17-43(18-4-1)55-40-48(37-38-51(55)52-26-9-12-30-56(52)60-57-31-13-10-27-53(57)54-28-11-14-32-58(54)60)59(46-22-5-2-6-23-46)47-24-15-21-45(39-47)41-33-35-44(36-34-41)50-29-16-20-42-19-7-8-25-49(42)50/h1-40H
InChIKeyKPQJGJFFLLLLFE-UHFFFAOYSA-N
MW764.97 g/mol
LogP16.07
Rot. Bonds8

About 4-(2-carbazol-9-ylphenyl)-N-[3-(4-naphthalen-1-ylphenyl)phenyl]-N,3-diphenylaniline

4-(2-carbazol-9-ylphenyl)-N-[3-(4-naphthalen-1-ylphenyl)phenyl]-N,3-diphenylaniline (PubChem CID 174310000) has the molecular formula C58H40N2 and a molecular weight of 764.97 g/mol. Its IUPAC name is 4-(2-carbazol-9-ylphenyl)-N-[3-(4-naphthalen-1-ylphenyl)phenyl]-N,3-diphenylaniline.

Molecular Properties

Compound Name4-(2-carbazol-9-ylphenyl)-N-[3-(4-naphthalen-1-ylphenyl)phenyl]-N,3-diphenylaniline
PubChem CID174310000
Molecular FormulaC58H40N2
Molecular Weight764.97 g/mol
Exact Mass764.32
IUPAC Name4-(2-carbazol-9-ylphenyl)-N-[3-(4-naphthalen-1-ylphenyl)phenyl]-N,3-diphenylaniline
SMILESc1ccc(-c2cc(N(c3ccccc3)c3cccc(-c4ccc(-c5cccc6ccccc56)cc4)c3)ccc2-c2ccccc2-n2c3ccccc3c3ccccc32)cc1
InChIInChI=1S/C58H40N2/c1-3-17-43(18-4-1)55-40-48(37-38-51(55)52-26-9-12-30-56(52)60-57-31-13-10-27-53(57)54-28-11-14-32-58(54)60)59(46-22-5-2-6-23-46)47-24-15-21-45(39-47)41-33-35-44(36-34-41)50-29-16-20-42-19-7-8-25-49(42)50/h1-40H
InChIKeyKPQJGJFFLLLLFE-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

4-(2-carbazol-9-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-3-phenyl-N-(4-phenylphenyl)aniline
CID 167528489
N-[4-(2-carbazol-9-ylphenyl)-3-phenylphenyl]-N-[4-(3-naphthalen-1-ylphenyl)phenyl]naphthalen-2-amine
CID 174309818
N-[4-(2-carbazol-9-ylphenyl)-3-phenylphenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]naphthalen-1-amine
CID 174309808
N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-[4-(4-naphthalen-1-yl-3-phenylphenyl)phenyl]-4-phenylaniline
CID 170927017
N-[4-(3-carbazol-9-yl-4-phenylphenyl)phenyl]-4-(4-naphthalen-1-ylphenyl)-N-phenylaniline
CID 167003908
N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N,3-diphenylaniline
CID 167322503
N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-4-phenylaniline
CID 162491110
N-[4-(2-carbazol-9-ylphenyl)phenyl]-5-naphthalen-1-yl-2-phenyl-N-(3-phenylphenyl)aniline
CID 167234687
3-phenyl-N-[4-[4-[2-(2-phenylcarbazol-9-yl)phenyl]phenyl]phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 155037985
N-[4-(2-carbazol-9-ylphenyl)phenyl]-3-phenyl-N-[4-(2-phenylphenyl)phenyl]aniline
CID 174278644
N-[4-[2-(2-carbazol-9-ylphenyl)phenyl]phenyl]-3-naphthalen-2-yl-N-(4-phenanthren-2-ylphenyl)aniline
CID 167322214
N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-[4-(2-naphthalen-1-ylphenyl)phenyl]-4-phenylaniline
CID 167322510

Frequently Asked Questions

What is the IUPAC name of 4-(2-carbazol-9-ylphenyl)-N-[3-(4-naphthalen-1-ylphenyl)phenyl]-N,3-diphenylaniline?
The IUPAC name of 4-(2-carbazol-9-ylphenyl)-N-[3-(4-naphthalen-1-ylphenyl)phenyl]-N,3-diphenylaniline (CID 174310000) is 4-(2-carbazol-9-ylphenyl)-N-[3-(4-naphthalen-1-ylphenyl)phenyl]-N,3-diphenylaniline.
What is the SMILES notation for 4-(2-carbazol-9-ylphenyl)-N-[3-(4-naphthalen-1-ylphenyl)phenyl]-N,3-diphenylaniline?
The canonical SMILES for 4-(2-carbazol-9-ylphenyl)-N-[3-(4-naphthalen-1-ylphenyl)phenyl]-N,3-diphenylaniline is c1ccc(-c2cc(N(c3ccccc3)c3cccc(-c4ccc(-c5cccc6ccccc56)cc4)c3)ccc2-c2ccccc2-n2c3ccccc3c3ccccc32)cc1.
What is the InChIKey of 4-(2-carbazol-9-ylphenyl)-N-[3-(4-naphthalen-1-ylphenyl)phenyl]-N,3-diphenylaniline?
The InChIKey is KPQJGJFFLLLLFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H40N2/c1-3-17-43(18-4-1)55-40-48(37-38-51(55)52-26-9-12-30-56(52)60-57-31-13-10-27-53(57)54-28-11-14-32-58(54)60)59(46-22-5-2-6-23-46)47-24-15-21-45(39-47)41-33-35-44(36-34-41)50-29-16-20-42-19-7-8-25-49(42)50/h1-40H.
What are the key properties of 4-(2-carbazol-9-ylphenyl)-N-[3-(4-naphthalen-1-ylphenyl)phenyl]-N,3-diphenylaniline?
4-(2-carbazol-9-ylphenyl)-N-[3-(4-naphthalen-1-ylphenyl)phenyl]-N,3-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-[3-(4-naphthalen-1-ylphenyl)phenyl]-N,3-diphenylaniline is sourced from PubChem (CID 174310000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).