3-carbazol-9-yl-N-(4-dibenzothiophen-2-ylphenyl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline

C58H38N2S — CID 170380029

IUPAC3-carbazol-9-yl-N-(4-dibenzothiophen-2-ylphenyl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline
SMILESc1ccc(-c2cccc3cccc(-c4ccc(N(c5ccc(-c6ccc7sc8ccccc8c7c6)cc5)c5cccc(-n6c7ccccc7c7ccccc76)c5)cc4)c23)cc1
InChIInChI=1S/C58H38N2S/c1-2-13-40(14-3-1)48-22-10-15-42-16-11-23-49(58(42)48)41-29-34-45(35-30-41)59(44-32-27-39(28-33-44)43-31-36-57-53(37-43)52-21-6-9-26-56(52)61-57)46-17-12-18-47(38-46)60-54-24-7-4-19-50(54)51-20-5-8-25-55(51)60/h1-38H
InChIKeyYAHRIBIRKYLVKN-UHFFFAOYSA-N
MW795.02 g/mol
LogP16.78
Rot. Bonds7

About 3-carbazol-9-yl-N-(4-dibenzothiophen-2-ylphenyl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline

3-carbazol-9-yl-N-(4-dibenzothiophen-2-ylphenyl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline (PubChem CID 170380029) has the molecular formula C58H38N2S and a molecular weight of 795.02 g/mol. Its IUPAC name is 3-carbazol-9-yl-N-(4-dibenzothiophen-2-ylphenyl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline.

Molecular Properties

Compound Name3-carbazol-9-yl-N-(4-dibenzothiophen-2-ylphenyl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline
PubChem CID170380029
Molecular FormulaC58H38N2S
Molecular Weight795.02 g/mol
Exact Mass794.28
IUPAC Name3-carbazol-9-yl-N-(4-dibenzothiophen-2-ylphenyl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline
SMILESc1ccc(-c2cccc3cccc(-c4ccc(N(c5ccc(-c6ccc7sc8ccccc8c7c6)cc5)c5cccc(-n6c7ccccc7c7ccccc76)c5)cc4)c23)cc1
InChIInChI=1S/C58H38N2S/c1-2-13-40(14-3-1)48-22-10-15-42-16-11-23-49(58(42)48)41-29-34-45(35-30-41)59(44-32-27-39(28-33-44)43-31-36-57-53(37-43)52-21-6-9-26-56(52)61-57)46-17-12-18-47(38-46)60-54-24-7-4-19-50(54)51-20-5-8-25-55(51)60/h1-38H
InChIKeyYAHRIBIRKYLVKN-UHFFFAOYSA-N
XLogP16.78
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500795.02
LogP ≤ 516.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-carbazol-9-yl-N-(4-dibenzothiophen-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 146578528
3-carbazol-9-yl-N-(4-dibenzothiophen-2-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]aniline
CID 146578915
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-3-amine
CID 170379955
N-(3-carbazol-9-ylphenyl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine
CID 167222224
4-[3-[3-(3-carbazol-9-ylphenyl)phenyl]phenyl]-N-phenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170380140
N-(4-dibenzothiophen-2-ylphenyl)-N,5,9-triphenylcarbazol-2-amine
CID 169009618
4-(3-carbazol-9-ylphenyl)-N-(4-carbazol-9-ylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline;N-(4-carbazol-9-ylphenyl)-N-[4-(3-carbazol-9-ylphenyl)phenyl]-4-phenylaniline;4-(3-carbazol-9-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline
CID 159549899
4-(3-carbazol-9-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline
CID 146577847
3-carbazol-9-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170379993
N-(3-carbazol-9-ylphenyl)-2-dibenzothiophen-2-yl-N-[4-(4-naphthalen-2-ylphenyl)phenyl]aniline
CID 167326177
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine
CID 170380092
N-[3-(4-carbazol-9-ylphenyl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-2-amine
CID 121329672

Frequently Asked Questions

What is the IUPAC name of 3-carbazol-9-yl-N-(4-dibenzothiophen-2-ylphenyl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline?
The IUPAC name of 3-carbazol-9-yl-N-(4-dibenzothiophen-2-ylphenyl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline (CID 170380029) is 3-carbazol-9-yl-N-(4-dibenzothiophen-2-ylphenyl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline.
What is the SMILES notation for 3-carbazol-9-yl-N-(4-dibenzothiophen-2-ylphenyl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline?
The canonical SMILES for 3-carbazol-9-yl-N-(4-dibenzothiophen-2-ylphenyl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline is c1ccc(-c2cccc3cccc(-c4ccc(N(c5ccc(-c6ccc7sc8ccccc8c7c6)cc5)c5cccc(-n6c7ccccc7c7ccccc76)c5)cc4)c23)cc1.
What is the InChIKey of 3-carbazol-9-yl-N-(4-dibenzothiophen-2-ylphenyl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline?
The InChIKey is YAHRIBIRKYLVKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H38N2S/c1-2-13-40(14-3-1)48-22-10-15-42-16-11-23-49(58(42)48)41-29-34-45(35-30-41)59(44-32-27-39(28-33-44)43-31-36-57-53(37-43)52-21-6-9-26-56(52)61-57)46-17-12-18-47(38-46)60-54-24-7-4-19-50(54)51-20-5-8-25-55(51)60/h1-38H.
What are the key properties of 3-carbazol-9-yl-N-(4-dibenzothiophen-2-ylphenyl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline?
3-carbazol-9-yl-N-(4-dibenzothiophen-2-ylphenyl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline has a molecular weight of 795.02 g/mol, XLogP of 16.78, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-carbazol-9-yl-N-(4-dibenzothiophen-2-ylphenyl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline is sourced from PubChem (CID 170380029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).