4-(3-carbazol-9-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline

C58H38N2S — CID 146577847

IUPAC4-(3-carbazol-9-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline
SMILESc1cc(-c2ccc(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3ccc(-c4ccc5sc6ccccc6c5c4)cc3)cc2)cc(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C58H38N2S/c1-2-11-43-36-45(21-20-39(43)10-1)41-24-31-48(32-25-41)59(49-33-26-42(27-34-49)46-28-35-58-54(38-46)53-16-5-8-19-57(53)61-58)47-29-22-40(23-30-47)44-12-9-13-50(37-44)60-55-17-6-3-14-51(55)52-15-4-7-18-56(52)60/h1-38H
InChIKeyWOVMBETYIZLTJN-UHFFFAOYSA-N
MW795.02 g/mol
LogP16.78
Rot. Bonds7

About 4-(3-carbazol-9-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline

4-(3-carbazol-9-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline (PubChem CID 146577847) has the molecular formula C58H38N2S and a molecular weight of 795.02 g/mol. Its IUPAC name is 4-(3-carbazol-9-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline.

Molecular Properties

Compound Name4-(3-carbazol-9-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline
PubChem CID146577847
Molecular FormulaC58H38N2S
Molecular Weight795.02 g/mol
Exact Mass794.28
IUPAC Name4-(3-carbazol-9-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline
SMILESc1cc(-c2ccc(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3ccc(-c4ccc5sc6ccccc6c5c4)cc3)cc2)cc(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C58H38N2S/c1-2-11-43-36-45(21-20-39(43)10-1)41-24-31-48(32-25-41)59(49-33-26-42(27-34-49)46-28-35-58-54(38-46)53-16-5-8-19-57(53)61-58)47-29-22-40(23-30-47)44-12-9-13-50(37-44)60-55-17-6-3-14-51(55)52-15-4-7-18-56(52)60/h1-38H
InChIKeyWOVMBETYIZLTJN-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-naphthalen-2-ylphenyl)phenyl]aniline
CID 146578915
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
3-carbazol-9-yl-N-(4-dibenzothiophen-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 146578528
3-([1]benzothiolo[2,3-b]carbazol-7-yl)-N-(4-naphthalen-2-ylphenyl)-N-phenylaniline
CID 135164596
N-(3-carbazol-9-ylphenyl)-2-dibenzothiophen-2-yl-N-[4-(4-naphthalen-2-ylphenyl)phenyl]aniline
CID 167326177
4-(3-carbazol-9-ylphenyl)-N-(4-carbazol-9-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline
CID 146578444
N-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-N-naphthalen-2-yldibenzothiophen-2-amine
CID 129222113
N-(4-carbazol-9-ylphenyl)-N-(4-dibenzothiophen-3-ylphenyl)-4-(4-naphthalen-2-ylphenyl)aniline
CID 146577905
N-(4-carbazol-9-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-4-(4-phenylphenyl)aniline
CID 90351069
N-(4-carbazol-9-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-4-phenylaniline
CID 90077208
N-[4-(3-carbazol-9-ylphenyl)phenyl]-3-naphthalen-2-yl-N-[4-(4-naphthalen-2-ylphenyl)phenyl]aniline
CID 146578844
4-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-N-phenylaniline
CID 166566213

Frequently Asked Questions

What is the IUPAC name of 4-(3-carbazol-9-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline?
The IUPAC name of 4-(3-carbazol-9-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline (CID 146577847) is 4-(3-carbazol-9-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline.
What is the SMILES notation for 4-(3-carbazol-9-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline?
The canonical SMILES for 4-(3-carbazol-9-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline is c1cc(-c2ccc(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3ccc(-c4ccc5sc6ccccc6c5c4)cc3)cc2)cc(-n2c3ccccc3c3ccccc32)c1.
What is the InChIKey of 4-(3-carbazol-9-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline?
The InChIKey is WOVMBETYIZLTJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H38N2S/c1-2-11-43-36-45(21-20-39(43)10-1)41-24-31-48(32-25-41)59(49-33-26-42(27-34-49)46-28-35-58-54(38-46)53-16-5-8-19-57(53)61-58)47-29-22-40(23-30-47)44-12-9-13-50(37-44)60-55-17-6-3-14-51(55)52-15-4-7-18-56(52)60/h1-38H.
What are the key properties of 4-(3-carbazol-9-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline?
4-(3-carbazol-9-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-N-(4-naphthalen-2-ylphenyl)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 4-(3-carbazol-9-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline is sourced from PubChem (CID 146577847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).