4-(4-carbazol-9-ylphenyl)-N-(3-naphthalen-1-ylphenyl)-N-(3-phenylphenyl)dibenzothiophen-2-amine

C58H38N2S — CID 176609654

IUPAC4-(4-carbazol-9-ylphenyl)-N-(3-naphthalen-1-ylphenyl)-N-(3-phenylphenyl)dibenzothiophen-2-amine
SMILESc1ccc(-c2cccc(N(c3cccc(-c4cccc5ccccc45)c3)c3cc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)c4sc5ccccc5c4c3)c2)cc1
InChIInChI=1S/C58H38N2S/c1-2-15-39(16-3-1)42-19-12-21-45(35-42)59(46-22-13-20-43(36-46)49-27-14-18-40-17-4-5-23-48(40)49)47-37-53(58-54(38-47)52-26-8-11-30-57(52)61-58)41-31-33-44(34-32-41)60-55-28-9-6-24-50(55)51-25-7-10-29-56(51)60/h1-38H
InChIKeyQOWCAGSMOJUACH-UHFFFAOYSA-N
MW795.02 g/mol
LogP16.78
Rot. Bonds7

About 4-(4-carbazol-9-ylphenyl)-N-(3-naphthalen-1-ylphenyl)-N-(3-phenylphenyl)dibenzothiophen-2-amine

4-(4-carbazol-9-ylphenyl)-N-(3-naphthalen-1-ylphenyl)-N-(3-phenylphenyl)dibenzothiophen-2-amine (PubChem CID 176609654) has the molecular formula C58H38N2S and a molecular weight of 795.02 g/mol. Its IUPAC name is 4-(4-carbazol-9-ylphenyl)-N-(3-naphthalen-1-ylphenyl)-N-(3-phenylphenyl)dibenzothiophen-2-amine.

Molecular Properties

Compound Name4-(4-carbazol-9-ylphenyl)-N-(3-naphthalen-1-ylphenyl)-N-(3-phenylphenyl)dibenzothiophen-2-amine
PubChem CID176609654
Molecular FormulaC58H38N2S
Molecular Weight795.02 g/mol
Exact Mass794.28
IUPAC Name4-(4-carbazol-9-ylphenyl)-N-(3-naphthalen-1-ylphenyl)-N-(3-phenylphenyl)dibenzothiophen-2-amine
SMILESc1ccc(-c2cccc(N(c3cccc(-c4cccc5ccccc45)c3)c3cc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)c4sc5ccccc5c4c3)c2)cc1
InChIInChI=1S/C58H38N2S/c1-2-15-39(16-3-1)42-19-12-21-45(35-42)59(46-22-13-20-43(36-46)49-27-14-18-40-17-4-5-23-48(40)49)47-37-53(58-54(38-47)52-26-8-11-30-57(52)61-58)41-31-33-44(34-32-41)60-55-28-9-6-24-50(55)51-25-7-10-29-56(51)60/h1-38H
InChIKeyQOWCAGSMOJUACH-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

4-(9-naphthalen-1-ylcarbazol-3-yl)-N-(4-naphthalen-1-ylphenyl)-N-phenyldibenzothiophen-2-amine
CID 122463023
4-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)dibenzothiophen-2-amine;4-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)dibenzothiophen-2-amine;4-naphthalen-2-yl-N-phenyl-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-2-amine
CID 162263920
N-(4-carbazol-9-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-4-(4-naphthalen-1-ylphenyl)aniline;N-(4-carbazol-9-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-4-(4-naphthalen-2-ylphenyl)aniline
CID 160918264
3-carbazol-9-yl-N-(4-dibenzothiophen-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline
CID 146578511
3-dibenzothiophen-4-yl-N,4-diphenyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]aniline
CID 175298985
N-(4-carbazol-9-ylphenyl)-3-naphthalen-1-yl-N-[4-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]aniline
CID 172501687
N-(4-carbazol-9-ylphenyl)-4-(4-dibenzothiophen-4-ylphenyl)-N-phenylaniline
CID 177079934
N-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine
CID 170666353
N-[3-naphthalen-1-yl-5-(9-phenylcarbazol-2-yl)phenyl]-N-phenyldibenzothiophen-2-amine
CID 144990462
4-phenyl-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-2-amine
CID 168781565
N-(4-dibenzothiophen-4-ylphenyl)-4-phenyl-N-[4-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]aniline
CID 66585174
N,4-diphenyl-N-[4-[2-(2-phenylcarbazol-9-yl)dibenzothiophen-4-yl]phenyl]aniline
CID 156521456

Frequently Asked Questions

What is the IUPAC name of 4-(4-carbazol-9-ylphenyl)-N-(3-naphthalen-1-ylphenyl)-N-(3-phenylphenyl)dibenzothiophen-2-amine?
The IUPAC name of 4-(4-carbazol-9-ylphenyl)-N-(3-naphthalen-1-ylphenyl)-N-(3-phenylphenyl)dibenzothiophen-2-amine (CID 176609654) is 4-(4-carbazol-9-ylphenyl)-N-(3-naphthalen-1-ylphenyl)-N-(3-phenylphenyl)dibenzothiophen-2-amine.
What is the SMILES notation for 4-(4-carbazol-9-ylphenyl)-N-(3-naphthalen-1-ylphenyl)-N-(3-phenylphenyl)dibenzothiophen-2-amine?
The canonical SMILES for 4-(4-carbazol-9-ylphenyl)-N-(3-naphthalen-1-ylphenyl)-N-(3-phenylphenyl)dibenzothiophen-2-amine is c1ccc(-c2cccc(N(c3cccc(-c4cccc5ccccc45)c3)c3cc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)c4sc5ccccc5c4c3)c2)cc1.
What is the InChIKey of 4-(4-carbazol-9-ylphenyl)-N-(3-naphthalen-1-ylphenyl)-N-(3-phenylphenyl)dibenzothiophen-2-amine?
The InChIKey is QOWCAGSMOJUACH-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H38N2S/c1-2-15-39(16-3-1)42-19-12-21-45(35-42)59(46-22-13-20-43(36-46)49-27-14-18-40-17-4-5-23-48(40)49)47-37-53(58-54(38-47)52-26-8-11-30-57(52)61-58)41-31-33-44(34-32-41)60-55-28-9-6-24-50(55)51-25-7-10-29-56(51)60/h1-38H.
What are the key properties of 4-(4-carbazol-9-ylphenyl)-N-(3-naphthalen-1-ylphenyl)-N-(3-phenylphenyl)dibenzothiophen-2-amine?
4-(4-carbazol-9-ylphenyl)-N-(3-naphthalen-1-ylphenyl)-N-(3-phenylphenyl)dibenzothiophen-2-amine 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-(4-carbazol-9-ylphenyl)-N-(3-naphthalen-1-ylphenyl)-N-(3-phenylphenyl)dibenzothiophen-2-amine is sourced from PubChem (CID 176609654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).