3-carbazol-9-yl-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline

C58H40N2 — CID 146578515

IUPAC3-carbazol-9-yl-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccc(-c6ccc7ccccc7c6)cc5)cc4)c4cccc(-n5c6ccccc6c6ccccc65)c4)cc3)cc2)cc1
InChIInChI=1S/C58H40N2/c1-2-11-41(12-3-1)43-21-23-44(24-22-43)46-31-35-51(36-32-46)59(53-15-10-16-54(40-53)60-57-19-8-6-17-55(57)56-18-7-9-20-58(56)60)52-37-33-47(34-38-52)45-25-27-48(28-26-45)50-30-29-42-13-4-5-14-49(42)39-50/h1-40H
InChIKeyTUGDKSPJRMEHBW-UHFFFAOYSA-N
MW764.97 g/mol
LogP16.07
Rot. Bonds8

About 3-carbazol-9-yl-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline

3-carbazol-9-yl-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline (PubChem CID 146578515) has the molecular formula C58H40N2 and a molecular weight of 764.97 g/mol. Its IUPAC name is 3-carbazol-9-yl-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline.

Molecular Properties

Compound Name3-carbazol-9-yl-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
PubChem CID146578515
Molecular FormulaC58H40N2
Molecular Weight764.97 g/mol
Exact Mass764.32
IUPAC Name3-carbazol-9-yl-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccc(-c6ccc7ccccc7c6)cc5)cc4)c4cccc(-n5c6ccccc6c6ccccc65)c4)cc3)cc2)cc1
InChIInChI=1S/C58H40N2/c1-2-11-41(12-3-1)43-21-23-44(24-22-43)46-31-35-51(36-32-46)59(53-15-10-16-54(40-53)60-57-19-8-6-17-55(57)56-18-7-9-20-58(56)60)52-37-33-47(34-38-52)45-25-27-48(28-26-45)50-30-29-42-13-4-5-14-49(42)39-50/h1-40H
InChIKeyTUGDKSPJRMEHBW-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-(3-carbazol-9-ylphenyl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-3-phenylaniline
CID 166566208
N-(3-carbazol-9-ylphenyl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-3-(3-phenylphenyl)aniline
CID 166566072
4-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-N-phenylaniline
CID 166566213
3-carbazol-9-yl-N-(4-carbazol-9-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]aniline
CID 146577954
N-[4-(3-carbazol-9-ylphenyl)phenyl]-3-naphthalen-2-yl-N-[4-(4-naphthalen-2-ylphenyl)phenyl]aniline
CID 146578844
N-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine
CID 174258329
N-(4-carbazol-9-ylphenyl)-3-naphthalen-2-yl-N-phenylaniline
CID 135164563
4-(3-carbazol-9-ylphenyl)-N-(4-carbazol-9-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline
CID 146578444
N-(4-carbazol-9-ylphenyl)-4-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)aniline;N-(4-carbazol-9-ylphenyl)-4-naphthalen-2-yl-N-phenylaniline;N-(4-carbazol-9-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline
CID 165047575
N-[4-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]-9-phenyl-N-(3-phenylphenyl)carbazol-2-amine
CID 174258406
N-(3-carbazol-9-ylphenyl)-5-naphthalen-2-yl-2-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 167235229
N-(3-carbazol-9-ylphenyl)-5-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)-2-phenylaniline
CID 167234431

Frequently Asked Questions

What is the IUPAC name of 3-carbazol-9-yl-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline?
The IUPAC name of 3-carbazol-9-yl-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline (CID 146578515) is 3-carbazol-9-yl-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline.
What is the SMILES notation for 3-carbazol-9-yl-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline?
The canonical SMILES for 3-carbazol-9-yl-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline is c1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccc(-c6ccc7ccccc7c6)cc5)cc4)c4cccc(-n5c6ccccc6c6ccccc65)c4)cc3)cc2)cc1.
What is the InChIKey of 3-carbazol-9-yl-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline?
The InChIKey is TUGDKSPJRMEHBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H40N2/c1-2-11-41(12-3-1)43-21-23-44(24-22-43)46-31-35-51(36-32-46)59(53-15-10-16-54(40-53)60-57-19-8-6-17-55(57)56-18-7-9-20-58(56)60)52-37-33-47(34-38-52)45-25-27-48(28-26-45)50-30-29-42-13-4-5-14-49(42)39-50/h1-40H.
What are the key properties of 3-carbazol-9-yl-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline?
3-carbazol-9-yl-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline 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 3-carbazol-9-yl-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline is sourced from PubChem (CID 146578515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).