4-[4-(2-carbazol-9-ylphenyl)phenyl]-N-[4-(2-naphthalen-2-ylphenyl)phenyl]-N-phenylaniline

C58H40N2 — CID 167322685

IUPAC4-[4-(2-carbazol-9-ylphenyl)phenyl]-N-[4-(2-naphthalen-2-ylphenyl)phenyl]-N-phenylaniline
SMILESc1ccc(N(c2ccc(-c3ccc(-c4ccccc4-n4c5ccccc5c5ccccc54)cc3)cc2)c2ccc(-c3ccccc3-c3ccc4ccccc4c3)cc2)cc1
InChIInChI=1S/C58H40N2/c1-2-16-48(17-3-1)59(50-38-34-44(35-39-50)51-18-6-7-19-52(51)47-31-28-41-14-4-5-15-46(41)40-47)49-36-32-43(33-37-49)42-26-29-45(30-27-42)53-20-8-11-23-56(53)60-57-24-12-9-21-54(57)55-22-10-13-25-58(55)60/h1-40H
InChIKeyZRJOGTIBKPEUIN-UHFFFAOYSA-N
MW764.97 g/mol
LogP16.07
Rot. Bonds8

About 4-[4-(2-carbazol-9-ylphenyl)phenyl]-N-[4-(2-naphthalen-2-ylphenyl)phenyl]-N-phenylaniline

4-[4-(2-carbazol-9-ylphenyl)phenyl]-N-[4-(2-naphthalen-2-ylphenyl)phenyl]-N-phenylaniline (PubChem CID 167322685) has the molecular formula C58H40N2 and a molecular weight of 764.97 g/mol. Its IUPAC name is 4-[4-(2-carbazol-9-ylphenyl)phenyl]-N-[4-(2-naphthalen-2-ylphenyl)phenyl]-N-phenylaniline.

Molecular Properties

Compound Name4-[4-(2-carbazol-9-ylphenyl)phenyl]-N-[4-(2-naphthalen-2-ylphenyl)phenyl]-N-phenylaniline
PubChem CID167322685
Molecular FormulaC58H40N2
Molecular Weight764.97 g/mol
Exact Mass764.32
IUPAC Name4-[4-(2-carbazol-9-ylphenyl)phenyl]-N-[4-(2-naphthalen-2-ylphenyl)phenyl]-N-phenylaniline
SMILESc1ccc(N(c2ccc(-c3ccc(-c4ccccc4-n4c5ccccc5c5ccccc54)cc3)cc2)c2ccc(-c3ccccc3-c3ccc4ccccc4c3)cc2)cc1
InChIInChI=1S/C58H40N2/c1-2-16-48(17-3-1)59(50-38-34-44(35-39-50)51-18-6-7-19-52(51)47-31-28-41-14-4-5-15-46(41)40-47)49-36-32-43(33-37-49)42-26-29-45(30-27-42)53-20-8-11-23-56(53)60-57-24-12-9-21-54(57)55-22-10-13-25-58(55)60/h1-40H
InChIKeyZRJOGTIBKPEUIN-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,N-bis[4-(2-carbazol-9-ylphenyl)phenyl]-4-naphthalen-2-ylaniline
CID 142416176
N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N,4-bis(4-naphthalen-2-ylphenyl)aniline
CID 167322146
4-[4-(2-carbazol-9-ylphenyl)phenyl]-N-[4-(3,5-diphenylphenyl)phenyl]-N-(4-naphthalen-2-ylphenyl)aniline
CID 167322678
N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-[4-(2-naphthalen-2-ylphenyl)phenyl]-2-phenylaniline
CID 167322263
N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(3-naphthalen-2-ylphenyl)-7-(4-phenylphenyl)naphthalen-2-amine
CID 174277043
N-[4-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 167322073
N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-phenyl-3-(2-phenylphenyl)aniline
CID 167322827
N-[4-(2-benzo[b]carbazol-5-ylphenyl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 134380597
N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-2-phenylaniline
CID 167322506
N-[4-(2-carbazol-9-ylphenyl)phenyl]-4-phenyl-N-[4-(2-phenylphenyl)phenyl]aniline
CID 134380712
4-[3-(2-carbazol-9-ylphenyl)phenyl]-N-(4-naphthalen-2-ylphenyl)-N-(4-phenanthren-9-ylphenyl)aniline
CID 167322341
N-[4-[2-(2-carbazol-9-ylphenyl)phenyl]phenyl]-4-naphthalen-2-yl-N-(4-phenanthren-9-ylphenyl)aniline
CID 167322075

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-carbazol-9-ylphenyl)phenyl]-N-[4-(2-naphthalen-2-ylphenyl)phenyl]-N-phenylaniline?
The IUPAC name of 4-[4-(2-carbazol-9-ylphenyl)phenyl]-N-[4-(2-naphthalen-2-ylphenyl)phenyl]-N-phenylaniline (CID 167322685) is 4-[4-(2-carbazol-9-ylphenyl)phenyl]-N-[4-(2-naphthalen-2-ylphenyl)phenyl]-N-phenylaniline.
What is the SMILES notation for 4-[4-(2-carbazol-9-ylphenyl)phenyl]-N-[4-(2-naphthalen-2-ylphenyl)phenyl]-N-phenylaniline?
The canonical SMILES for 4-[4-(2-carbazol-9-ylphenyl)phenyl]-N-[4-(2-naphthalen-2-ylphenyl)phenyl]-N-phenylaniline is c1ccc(N(c2ccc(-c3ccc(-c4ccccc4-n4c5ccccc5c5ccccc54)cc3)cc2)c2ccc(-c3ccccc3-c3ccc4ccccc4c3)cc2)cc1.
What is the InChIKey of 4-[4-(2-carbazol-9-ylphenyl)phenyl]-N-[4-(2-naphthalen-2-ylphenyl)phenyl]-N-phenylaniline?
The InChIKey is ZRJOGTIBKPEUIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H40N2/c1-2-16-48(17-3-1)59(50-38-34-44(35-39-50)51-18-6-7-19-52(51)47-31-28-41-14-4-5-15-46(41)40-47)49-36-32-43(33-37-49)42-26-29-45(30-27-42)53-20-8-11-23-56(53)60-57-24-12-9-21-54(57)55-22-10-13-25-58(55)60/h1-40H.
What are the key properties of 4-[4-(2-carbazol-9-ylphenyl)phenyl]-N-[4-(2-naphthalen-2-ylphenyl)phenyl]-N-phenylaniline?
4-[4-(2-carbazol-9-ylphenyl)phenyl]-N-[4-(2-naphthalen-2-ylphenyl)phenyl]-N-phenylaniline 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-[4-(2-carbazol-9-ylphenyl)phenyl]-N-[4-(2-naphthalen-2-ylphenyl)phenyl]-N-phenylaniline is sourced from PubChem (CID 167322685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).