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

C58H38N2S — CID 170379902

IUPACN-(4-carbazol-9-ylphenyl)-9-phenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-3-amine
SMILESc1ccc(-c2cccc3cccc(-c4ccc(N(c5ccc(-n6c7ccccc7c7ccccc76)cc5)c5ccc6c(c5)sc5cccc(-c7ccccc7)c56)cc4)c23)cc1
InChIInChI=1S/C58H38N2S/c1-3-14-39(15-4-1)47-22-11-18-42-19-12-23-48(57(42)47)41-28-30-43(31-29-41)59(44-32-34-45(35-33-44)60-53-25-9-7-20-50(53)51-21-8-10-26-54(51)60)46-36-37-52-56(38-46)61-55-27-13-24-49(58(52)55)40-16-5-2-6-17-40/h1-38H
InChIKeyTYXNACMYKXWRMW-UHFFFAOYSA-N
MW795.02 g/mol
LogP16.78
Rot. Bonds7

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

N-(4-carbazol-9-ylphenyl)-9-phenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-3-amine (PubChem CID 170379902) has the molecular formula C58H38N2S and a molecular weight of 795.02 g/mol. Its IUPAC name is N-(4-carbazol-9-ylphenyl)-9-phenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-3-amine.

Molecular Properties

Compound NameN-(4-carbazol-9-ylphenyl)-9-phenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-3-amine
PubChem CID170379902
Molecular FormulaC58H38N2S
Molecular Weight795.02 g/mol
Exact Mass794.28
IUPAC NameN-(4-carbazol-9-ylphenyl)-9-phenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-3-amine
SMILESc1ccc(-c2cccc3cccc(-c4ccc(N(c5ccc(-n6c7ccccc7c7ccccc76)cc5)c5ccc6c(c5)sc5cccc(-c7ccccc7)c56)cc4)c23)cc1
InChIInChI=1S/C58H38N2S/c1-3-14-39(15-4-1)47-22-11-18-42-19-12-23-48(57(42)47)41-28-30-43(31-29-41)59(44-32-34-45(35-33-44)60-53-25-9-7-20-50(53)51-21-8-10-26-54(51)60)46-36-37-52-56(38-46)61-55-27-13-24-49(58(52)55)40-16-5-2-6-17-40/h1-38H
InChIKeyTYXNACMYKXWRMW-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-carbazol-9-ylphenyl)-9-phenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-3-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-(4-carbazol-9-ylphenyl)phenyl]-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-3-amine
CID 170379955
N-naphtho[2,1-b][1]benzothiol-9-yl-9-phenyl-N-[3-(8-phenylnaphthalen-1-yl)phenyl]carbazol-2-amine
CID 169285540
4-(4-carbazol-9-ylphenyl)-N,N-bis[4-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170379939
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 155396635
N-(4-carbazol-9-ylphenyl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]-4-(3-phenylphenyl)aniline
CID 168798243
4-[8-(4-carbazol-9-ylphenyl)naphthalen-1-yl]-N,N-diphenylaniline
CID 169016142
N-(3-naphtho[2,1-b][1]benzothiol-1-ylphenyl)-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine
CID 168807456
2-dibenzothiophen-1-yl-N-[3-(9-phenylcarbazol-2-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170298734
N-(4-carbazol-9-ylphenyl)-N-phenyl-4-[3-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170380154
N-(4-dibenzothiophen-1-ylphenyl)-N,5,9-triphenylcarbazol-2-amine
CID 169009610
3-carbazol-9-yl-N-(4-dibenzothiophen-2-ylphenyl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170380029
7-carbazol-9-yl-N,N-bis(4-phenylphenyl)dibenzothiophen-3-amine
CID 90372077

Frequently Asked Questions

What is the IUPAC name of N-(4-carbazol-9-ylphenyl)-9-phenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-3-amine?
The IUPAC name of N-(4-carbazol-9-ylphenyl)-9-phenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-3-amine (CID 170379902) is N-(4-carbazol-9-ylphenyl)-9-phenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-3-amine.
What is the SMILES notation for N-(4-carbazol-9-ylphenyl)-9-phenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-3-amine?
The canonical SMILES for N-(4-carbazol-9-ylphenyl)-9-phenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-3-amine is c1ccc(-c2cccc3cccc(-c4ccc(N(c5ccc(-n6c7ccccc7c7ccccc76)cc5)c5ccc6c(c5)sc5cccc(-c7ccccc7)c56)cc4)c23)cc1.
What is the InChIKey of N-(4-carbazol-9-ylphenyl)-9-phenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-3-amine?
The InChIKey is TYXNACMYKXWRMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H38N2S/c1-3-14-39(15-4-1)47-22-11-18-42-19-12-23-48(57(42)47)41-28-30-43(31-29-41)59(44-32-34-45(35-33-44)60-53-25-9-7-20-50(53)51-21-8-10-26-54(51)60)46-36-37-52-56(38-46)61-55-27-13-24-49(58(52)55)40-16-5-2-6-17-40/h1-38H.
What are the key properties of N-(4-carbazol-9-ylphenyl)-9-phenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-3-amine?
N-(4-carbazol-9-ylphenyl)-9-phenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-3-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-carbazol-9-ylphenyl)-9-phenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-3-amine is sourced from PubChem (CID 170379902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).