N-[4-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(2-naphthalen-2-ylphenyl)dibenzothiophen-2-amine

C58H38N2S — CID 167322385

IUPACN-[4-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(2-naphthalen-2-ylphenyl)dibenzothiophen-2-amine
SMILESc1cc(-c2ccc(N(c3ccc4sc5ccccc5c4c3)c3ccccc3-c3ccc4ccccc4c3)cc2)cc(-c2ccccc2-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C58H38N2S/c1-2-15-41-37-44(29-28-39(41)14-1)48-19-3-8-23-53(48)59(46-34-35-58-52(38-46)51-22-7-12-27-57(51)61-58)45-32-30-40(31-33-45)42-16-13-17-43(36-42)47-18-4-9-24-54(47)60-55-25-10-5-20-49(55)50-21-6-11-26-56(50)60/h1-38H
InChIKeyJTVCBFFWLDGJNO-UHFFFAOYSA-N
MW795.02 g/mol
LogP16.78
Rot. Bonds7

About N-[4-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(2-naphthalen-2-ylphenyl)dibenzothiophen-2-amine

N-[4-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(2-naphthalen-2-ylphenyl)dibenzothiophen-2-amine (PubChem CID 167322385) has the molecular formula C58H38N2S and a molecular weight of 795.02 g/mol. Its IUPAC name is N-[4-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(2-naphthalen-2-ylphenyl)dibenzothiophen-2-amine.

Molecular Properties

Compound NameN-[4-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(2-naphthalen-2-ylphenyl)dibenzothiophen-2-amine
PubChem CID167322385
Molecular FormulaC58H38N2S
Molecular Weight795.02 g/mol
Exact Mass794.28
IUPAC NameN-[4-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(2-naphthalen-2-ylphenyl)dibenzothiophen-2-amine
SMILESc1cc(-c2ccc(N(c3ccc4sc5ccccc5c4c3)c3ccccc3-c3ccc4ccccc4c3)cc2)cc(-c2ccccc2-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C58H38N2S/c1-2-15-41-37-44(29-28-39(41)14-1)48-19-3-8-23-53(48)59(46-34-35-58-52(38-46)51-22-7-12-27-57(51)61-58)45-32-30-40(31-33-45)42-16-13-17-43(36-42)47-18-4-9-24-54(47)60-55-25-10-5-20-49(55)50-21-6-11-26-56(50)60/h1-38H
InChIKeyJTVCBFFWLDGJNO-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

N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(2-naphthalen-2-ylphenyl)dibenzothiophen-3-amine
CID 167322523
N-(3-carbazol-9-ylphenyl)-2-dibenzothiophen-2-yl-N-[4-(4-naphthalen-2-ylphenyl)phenyl]aniline
CID 167326177
N-(2-carbazol-9-ylphenyl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]dibenzothiophen-3-amine
CID 166565844
N-[4-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-2-naphthalen-1-yl-N-(4-naphthalen-2-ylphenyl)aniline
CID 167322387
N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-2-phenylaniline
CID 167322506
N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-[4-(2-naphthalen-2-ylphenyl)phenyl]-2-phenylaniline
CID 167322263
N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-naphthalen-2-yldibenzothiophen-1-amine
CID 155396619
N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzothiophen-3-ylphenyl)-2-phenylaniline
CID 155396593
N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(2-phenylphenyl)dibenzothiophen-3-amine
CID 167322828
N-[4-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(3-naphthalen-1-ylphenyl)dibenzothiophen-1-amine
CID 167322840
2-dibenzothiophen-2-yl-N-(4-dibenzothiophen-3-ylphenyl)-N-[3-(4-naphthalen-2-ylphenyl)phenyl]aniline
CID 167325263
N-[4-(2-carbazol-9-ylphenyl)phenyl]-5-naphthalen-2-yl-2-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 167235738

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(2-naphthalen-2-ylphenyl)dibenzothiophen-2-amine?
The IUPAC name of N-[4-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(2-naphthalen-2-ylphenyl)dibenzothiophen-2-amine (CID 167322385) is N-[4-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(2-naphthalen-2-ylphenyl)dibenzothiophen-2-amine.
What is the SMILES notation for N-[4-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(2-naphthalen-2-ylphenyl)dibenzothiophen-2-amine?
The canonical SMILES for N-[4-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(2-naphthalen-2-ylphenyl)dibenzothiophen-2-amine is c1cc(-c2ccc(N(c3ccc4sc5ccccc5c4c3)c3ccccc3-c3ccc4ccccc4c3)cc2)cc(-c2ccccc2-n2c3ccccc3c3ccccc32)c1.
What is the InChIKey of N-[4-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(2-naphthalen-2-ylphenyl)dibenzothiophen-2-amine?
The InChIKey is JTVCBFFWLDGJNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H38N2S/c1-2-15-41-37-44(29-28-39(41)14-1)48-19-3-8-23-53(48)59(46-34-35-58-52(38-46)51-22-7-12-27-57(51)61-58)45-32-30-40(31-33-45)42-16-13-17-43(36-42)47-18-4-9-24-54(47)60-55-25-10-5-20-49(55)50-21-6-11-26-56(50)60/h1-38H.
What are the key properties of N-[4-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(2-naphthalen-2-ylphenyl)dibenzothiophen-2-amine?
N-[4-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(2-naphthalen-2-ylphenyl)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 N-[4-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(2-naphthalen-2-ylphenyl)dibenzothiophen-2-amine is sourced from PubChem (CID 167322385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).