4-[9-[4-(N-naphthalen-1-ylanilino)phenyl]dibenzothiophen-3-yl]-N,N-diphenylnaphthalen-1-amine

C56H38N2S — CID 177116926

IUPAC4-[9-[4-(N-naphthalen-1-ylanilino)phenyl]dibenzothiophen-3-yl]-N,N-diphenylnaphthalen-1-amine
SMILESc1ccc(N(c2ccc(-c3cccc4sc5cc(-c6ccc(N(c7ccccc7)c7ccccc7)c7ccccc67)ccc5c34)cc2)c2cccc3ccccc23)cc1
InChIInChI=1S/C56H38N2S/c1-4-18-42(19-5-1)57(43-20-6-2-7-21-43)53-37-36-46(49-25-12-13-26-50(49)53)41-32-35-51-55(38-41)59-54-29-15-27-48(56(51)54)40-30-33-45(34-31-40)58(44-22-8-3-9-23-44)52-28-14-17-39-16-10-11-24-47(39)52/h1-38H
InChIKeyFBDHNDCKUJFDFK-UHFFFAOYSA-N
MW771.00 g/mol
LogP16.63
Rot. Bonds8

About 4-[9-[4-(N-naphthalen-1-ylanilino)phenyl]dibenzothiophen-3-yl]-N,N-diphenylnaphthalen-1-amine

4-[9-[4-(N-naphthalen-1-ylanilino)phenyl]dibenzothiophen-3-yl]-N,N-diphenylnaphthalen-1-amine (PubChem CID 177116926) has the molecular formula C56H38N2S and a molecular weight of 771.00 g/mol. Its IUPAC name is 4-[9-[4-(N-naphthalen-1-ylanilino)phenyl]dibenzothiophen-3-yl]-N,N-diphenylnaphthalen-1-amine.

Molecular Properties

Compound Name4-[9-[4-(N-naphthalen-1-ylanilino)phenyl]dibenzothiophen-3-yl]-N,N-diphenylnaphthalen-1-amine
PubChem CID177116926
Molecular FormulaC56H38N2S
Molecular Weight771.00 g/mol
Exact Mass770.28
IUPAC Name4-[9-[4-(N-naphthalen-1-ylanilino)phenyl]dibenzothiophen-3-yl]-N,N-diphenylnaphthalen-1-amine
SMILESc1ccc(N(c2ccc(-c3cccc4sc5cc(-c6ccc(N(c7ccccc7)c7ccccc7)c7ccccc67)ccc5c34)cc2)c2cccc3ccccc23)cc1
InChIInChI=1S/C56H38N2S/c1-4-18-42(19-5-1)57(43-20-6-2-7-21-43)53-37-36-46(49-25-12-13-26-50(49)53)41-32-35-51-55(38-41)59-54-29-15-27-48(56(51)54)40-30-33-45(34-31-40)58(44-22-8-3-9-23-44)52-28-14-17-39-16-10-11-24-47(39)52/h1-38H
InChIKeyFBDHNDCKUJFDFK-UHFFFAOYSA-N
XLogP16.63
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500771.00
LogP ≤ 516.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-[9-[4-(N-naphthalen-1-ylanilino)phenyl]dibenzothiophen-3-yl]-N,N-diphenylnaphthalen-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

2-dibenzothiophen-3-yl-N-(4-dibenzothiophen-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline
CID 163594964
N-(4-dibenzothiophen-1-ylphenyl)-N-(3-naphthalen-1-ylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172502253
2-dibenzothiophen-3-yl-N-[3-(4-naphthalen-1-ylphenyl)phenyl]-N-(4-phenylphenyl)aniline
CID 167325670
2-dibenzothiophen-1-yl-N-(3-dibenzothiophen-3-ylphenyl)-N-(3-naphthalen-1-ylphenyl)aniline
CID 168767284
3-dibenzothiophen-1-yl-N-(3-naphthalen-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline
CID 168767639
N-(5-naphthalen-1-yl-2-phenylphenyl)-N-phenyldibenzothiophen-1-amine
CID 167235577
N-(4-naphthalen-1-ylphenyl)-N-[4-(5-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-1-amine
CID 139363107
5-dibenzothiophen-1-yl-3-N-naphthalen-1-yl-1-N,1-N,3-N-triphenylbenzene-1,3-diamine
CID 134337286
N-naphthalen-1-yl-N-phenyl-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-3-amine
CID 163844999
2-dibenzothiophen-3-yl-N-(4-dibenzothiophen-3-ylphenyl)-N-[3-(4-naphthalen-1-ylphenyl)phenyl]aniline
CID 167326325
N-(3-dibenzothiophen-1-ylphenyl)-2-naphthalen-1-yl-N-(3-naphthalen-1-ylphenyl)aniline
CID 168766669
2-dibenzothiophen-3-yl-N-[3-(3-naphthalen-1-ylphenyl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline
CID 167326227

Frequently Asked Questions

What is the IUPAC name of 4-[9-[4-(N-naphthalen-1-ylanilino)phenyl]dibenzothiophen-3-yl]-N,N-diphenylnaphthalen-1-amine?
The IUPAC name of 4-[9-[4-(N-naphthalen-1-ylanilino)phenyl]dibenzothiophen-3-yl]-N,N-diphenylnaphthalen-1-amine (CID 177116926) is 4-[9-[4-(N-naphthalen-1-ylanilino)phenyl]dibenzothiophen-3-yl]-N,N-diphenylnaphthalen-1-amine.
What is the SMILES notation for 4-[9-[4-(N-naphthalen-1-ylanilino)phenyl]dibenzothiophen-3-yl]-N,N-diphenylnaphthalen-1-amine?
The canonical SMILES for 4-[9-[4-(N-naphthalen-1-ylanilino)phenyl]dibenzothiophen-3-yl]-N,N-diphenylnaphthalen-1-amine is c1ccc(N(c2ccc(-c3cccc4sc5cc(-c6ccc(N(c7ccccc7)c7ccccc7)c7ccccc67)ccc5c34)cc2)c2cccc3ccccc23)cc1.
What is the InChIKey of 4-[9-[4-(N-naphthalen-1-ylanilino)phenyl]dibenzothiophen-3-yl]-N,N-diphenylnaphthalen-1-amine?
The InChIKey is FBDHNDCKUJFDFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H38N2S/c1-4-18-42(19-5-1)57(43-20-6-2-7-21-43)53-37-36-46(49-25-12-13-26-50(49)53)41-32-35-51-55(38-41)59-54-29-15-27-48(56(51)54)40-30-33-45(34-31-40)58(44-22-8-3-9-23-44)52-28-14-17-39-16-10-11-24-47(39)52/h1-38H.
What are the key properties of 4-[9-[4-(N-naphthalen-1-ylanilino)phenyl]dibenzothiophen-3-yl]-N,N-diphenylnaphthalen-1-amine?
4-[9-[4-(N-naphthalen-1-ylanilino)phenyl]dibenzothiophen-3-yl]-N,N-diphenylnaphthalen-1-amine has a molecular weight of 771.00 g/mol, XLogP of 16.63, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[9-[4-(N-naphthalen-1-ylanilino)phenyl]dibenzothiophen-3-yl]-N,N-diphenylnaphthalen-1-amine is sourced from PubChem (CID 177116926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).