N-[4-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(3-naphthalen-1-ylphenyl)dibenzothiophen-1-amine

C58H38N2S — CID 167322840

IUPACN-[4-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(3-naphthalen-1-ylphenyl)dibenzothiophen-1-amine
SMILESc1cc(-c2ccc(N(c3cccc(-c4cccc5ccccc45)c3)c3cccc4sc5ccccc5c34)cc2)cc(-c2ccccc2-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C58H38N2S/c1-2-21-46-40(15-1)16-13-26-47(46)43-19-12-20-45(38-43)59(55-30-14-32-57-58(55)51-25-6-10-31-56(51)61-57)44-35-33-39(34-36-44)41-17-11-18-42(37-41)48-22-3-7-27-52(48)60-53-28-8-4-23-49(53)50-24-5-9-29-54(50)60/h1-38H
InChIKeyGUFPKALYERVEKN-UHFFFAOYSA-N
MW795.02 g/mol
LogP16.78
Rot. Bonds7

About N-[4-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(3-naphthalen-1-ylphenyl)dibenzothiophen-1-amine

N-[4-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(3-naphthalen-1-ylphenyl)dibenzothiophen-1-amine (PubChem CID 167322840) 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-(3-naphthalen-1-ylphenyl)dibenzothiophen-1-amine.

Molecular Properties

Compound NameN-[4-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(3-naphthalen-1-ylphenyl)dibenzothiophen-1-amine
PubChem CID167322840
Molecular FormulaC58H38N2S
Molecular Weight795.02 g/mol
Exact Mass794.28
IUPAC NameN-[4-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(3-naphthalen-1-ylphenyl)dibenzothiophen-1-amine
SMILESc1cc(-c2ccc(N(c3cccc(-c4cccc5ccccc45)c3)c3cccc4sc5ccccc5c34)cc2)cc(-c2ccccc2-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C58H38N2S/c1-2-21-46-40(15-1)16-13-26-47(46)43-19-12-20-45(38-43)59(55-30-14-32-57-58(55)51-25-6-10-31-56(51)61-57)44-35-33-39(34-36-44)41-17-11-18-42(37-41)48-22-3-7-27-52(48)60-53-28-8-4-23-49(53)50-24-5-9-29-54(50)60/h1-38H
InChIKeyGUFPKALYERVEKN-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

Analyze N-[4-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(3-naphthalen-1-ylphenyl)dibenzothiophen-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(2-naphthalen-1-ylphenyl)dibenzothiophen-1-amine
CID 167322390
N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(3-phenylphenyl)dibenzothiophen-1-amine
CID 163752073
N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-naphthalen-2-yldibenzothiophen-1-amine
CID 155396619
N-[3-(9-dibenzothiophen-1-ylcarbazol-4-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)naphthalen-1-amine
CID 162175393
N-[4-(3-carbazol-9-ylnaphthalen-1-yl)phenyl]-N-(3-phenylphenyl)dibenzothiophen-1-amine
CID 168809308
N-[4-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(2-naphthalen-2-ylphenyl)dibenzothiophen-2-amine
CID 167322385
N-(4-benzo[c]phenanthren-2-ylphenyl)-N-(3-naphthalen-1-ylphenyl)dibenzothiophen-1-amine
CID 167182895
N-[4-(2-carbazol-9-ylphenyl)phenyl]-5-naphthalen-1-yl-2-phenyl-N-(3-phenylphenyl)aniline
CID 167234687
N-(3-carbazol-9-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]dibenzothiophen-1-amine
CID 164822826
N-[4-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-dibenzothiophen-1-yldibenzofuran-4-amine
CID 167322750
N-[4-(4-fluorophenyl)phenyl]-N,7-bis(3-naphthalen-1-ylphenyl)dibenzothiophen-1-amine
CID 176630489
N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-[4-[3-(4-phenylphenyl)phenyl]phenyl]naphthalen-1-amine
CID 167322665

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(3-naphthalen-1-ylphenyl)dibenzothiophen-1-amine?
The IUPAC name of N-[4-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(3-naphthalen-1-ylphenyl)dibenzothiophen-1-amine (CID 167322840) is N-[4-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(3-naphthalen-1-ylphenyl)dibenzothiophen-1-amine.
What is the SMILES notation for N-[4-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(3-naphthalen-1-ylphenyl)dibenzothiophen-1-amine?
The canonical SMILES for N-[4-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(3-naphthalen-1-ylphenyl)dibenzothiophen-1-amine is c1cc(-c2ccc(N(c3cccc(-c4cccc5ccccc45)c3)c3cccc4sc5ccccc5c34)cc2)cc(-c2ccccc2-n2c3ccccc3c3ccccc32)c1.
What is the InChIKey of N-[4-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(3-naphthalen-1-ylphenyl)dibenzothiophen-1-amine?
The InChIKey is GUFPKALYERVEKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H38N2S/c1-2-21-46-40(15-1)16-13-26-47(46)43-19-12-20-45(38-43)59(55-30-14-32-57-58(55)51-25-6-10-31-56(51)61-57)44-35-33-39(34-36-44)41-17-11-18-42(37-41)48-22-3-7-27-52(48)60-53-28-8-4-23-49(53)50-24-5-9-29-54(50)60/h1-38H.
What are the key properties of N-[4-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(3-naphthalen-1-ylphenyl)dibenzothiophen-1-amine?
N-[4-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(3-naphthalen-1-ylphenyl)dibenzothiophen-1-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-(3-naphthalen-1-ylphenyl)dibenzothiophen-1-amine is sourced from PubChem (CID 167322840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).