4-carbazol-9-yl-N-(4-naphthalen-1-ylphenyl)-2,6-diphenyl-N-(4-phenylphenyl)aniline

C58H40N2 — CID 167038231

IUPAC4-carbazol-9-yl-N-(4-naphthalen-1-ylphenyl)-2,6-diphenyl-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cccc5ccccc45)cc3)c3c(-c4ccccc4)cc(-n4c5ccccc5c5ccccc54)cc3-c3ccccc3)cc2)cc1
InChIInChI=1S/C58H40N2/c1-4-17-41(18-5-1)42-31-35-47(36-32-42)59(48-37-33-46(34-38-48)51-28-16-24-43-23-10-11-25-50(43)51)58-54(44-19-6-2-7-20-44)39-49(40-55(58)45-21-8-3-9-22-45)60-56-29-14-12-26-52(56)53-27-13-15-30-57(53)60/h1-40H
InChIKeyBWOLBANEXLCEHA-UHFFFAOYSA-N
MW764.97 g/mol
LogP16.07
Rot. Bonds8

About 4-carbazol-9-yl-N-(4-naphthalen-1-ylphenyl)-2,6-diphenyl-N-(4-phenylphenyl)aniline

4-carbazol-9-yl-N-(4-naphthalen-1-ylphenyl)-2,6-diphenyl-N-(4-phenylphenyl)aniline (PubChem CID 167038231) has the molecular formula C58H40N2 and a molecular weight of 764.97 g/mol. Its IUPAC name is 4-carbazol-9-yl-N-(4-naphthalen-1-ylphenyl)-2,6-diphenyl-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound Name4-carbazol-9-yl-N-(4-naphthalen-1-ylphenyl)-2,6-diphenyl-N-(4-phenylphenyl)aniline
PubChem CID167038231
Molecular FormulaC58H40N2
Molecular Weight764.97 g/mol
Exact Mass764.32
IUPAC Name4-carbazol-9-yl-N-(4-naphthalen-1-ylphenyl)-2,6-diphenyl-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cccc5ccccc45)cc3)c3c(-c4ccccc4)cc(-n4c5ccccc5c5ccccc54)cc3-c3ccccc3)cc2)cc1
InChIInChI=1S/C58H40N2/c1-4-17-41(18-5-1)42-31-35-47(36-32-42)59(48-37-33-46(34-38-48)51-28-16-24-43-23-10-11-25-50(43)51)58-54(44-19-6-2-7-20-44)39-49(40-55(58)45-21-8-3-9-22-45)60-56-29-14-12-26-52(56)53-27-13-15-30-57(53)60/h1-40H
InChIKeyBWOLBANEXLCEHA-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-(4-carbazol-9-ylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)-4-(4-phenylphenyl)aniline
CID 146578337
N-[4-(3-carbazol-9-ylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine
CID 168809283
N-(4-carbazol-9-ylphenyl)-4-(4-naphthalen-1-ylphenyl)-N-[4-(6-phenylnaphthalen-2-yl)phenyl]aniline
CID 146580365
4-(3-carbazol-9-ylphenyl)-2,6-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 146578828
N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-4-phenylaniline
CID 162491110
N-(4-carbazol-9-ylphenyl)-4-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)aniline;N-(4-carbazol-9-ylphenyl)-4-(4-naphthalen-2-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline;N-(4-carbazol-9-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline
CID 157492697
4-[3-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline
CID 118901543
N-[4-(3-carbazol-9-yl-4-phenylphenyl)phenyl]-4-(4-naphthalen-1-ylphenyl)-N-phenylaniline
CID 167003908
3-carbazol-9-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline
CID 146578366
3-[3-(3-carbazol-9-ylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)aniline;N-[4-[3-(3-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-naphthalen-1-ylphenyl)-4-phenylaniline;N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-naphthalen-1-ylphenyl)-4-phenylaniline
CID 163482602
N-(4-carbazol-9-ylphenyl)-3-naphthalen-1-yl-N-[4-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]aniline
CID 172501687
4-(3-carbazol-9-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline
CID 146578387

Frequently Asked Questions

What is the IUPAC name of 4-carbazol-9-yl-N-(4-naphthalen-1-ylphenyl)-2,6-diphenyl-N-(4-phenylphenyl)aniline?
The IUPAC name of 4-carbazol-9-yl-N-(4-naphthalen-1-ylphenyl)-2,6-diphenyl-N-(4-phenylphenyl)aniline (CID 167038231) is 4-carbazol-9-yl-N-(4-naphthalen-1-ylphenyl)-2,6-diphenyl-N-(4-phenylphenyl)aniline.
What is the SMILES notation for 4-carbazol-9-yl-N-(4-naphthalen-1-ylphenyl)-2,6-diphenyl-N-(4-phenylphenyl)aniline?
The canonical SMILES for 4-carbazol-9-yl-N-(4-naphthalen-1-ylphenyl)-2,6-diphenyl-N-(4-phenylphenyl)aniline is c1ccc(-c2ccc(N(c3ccc(-c4cccc5ccccc45)cc3)c3c(-c4ccccc4)cc(-n4c5ccccc5c5ccccc54)cc3-c3ccccc3)cc2)cc1.
What is the InChIKey of 4-carbazol-9-yl-N-(4-naphthalen-1-ylphenyl)-2,6-diphenyl-N-(4-phenylphenyl)aniline?
The InChIKey is BWOLBANEXLCEHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H40N2/c1-4-17-41(18-5-1)42-31-35-47(36-32-42)59(48-37-33-46(34-38-48)51-28-16-24-43-23-10-11-25-50(43)51)58-54(44-19-6-2-7-20-44)39-49(40-55(58)45-21-8-3-9-22-45)60-56-29-14-12-26-52(56)53-27-13-15-30-57(53)60/h1-40H.
What are the key properties of 4-carbazol-9-yl-N-(4-naphthalen-1-ylphenyl)-2,6-diphenyl-N-(4-phenylphenyl)aniline?
4-carbazol-9-yl-N-(4-naphthalen-1-ylphenyl)-2,6-diphenyl-N-(4-phenylphenyl)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 4-carbazol-9-yl-N-(4-naphthalen-1-ylphenyl)-2,6-diphenyl-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 167038231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).