2-dibenzothiophen-2-yl-N-[3-(4-naphthalen-1-ylnaphthalen-1-yl)phenyl]aniline

C44H29NS — CID 170181035

IUPAC2-dibenzothiophen-2-yl-N-[3-(4-naphthalen-1-ylnaphthalen-1-yl)phenyl]aniline
SMILESc1cc(Nc2ccccc2-c2ccc3sc4ccccc4c3c2)cc(-c2ccc(-c3cccc4ccccc34)c3ccccc23)c1
InChIInChI=1S/C44H29NS/c1-2-15-33-29(11-1)12-10-20-37(33)39-25-24-34(36-17-3-4-18-38(36)39)30-13-9-14-32(27-30)45-42-21-7-5-16-35(42)31-23-26-44-41(28-31)40-19-6-8-22-43(40)46-44/h1-28,45H
InChIKeyYLZMCTDLUBZDJP-UHFFFAOYSA-N
MW603.79 g/mol
LogP13.11
Rot. Bonds5

About 2-dibenzothiophen-2-yl-N-[3-(4-naphthalen-1-ylnaphthalen-1-yl)phenyl]aniline

2-dibenzothiophen-2-yl-N-[3-(4-naphthalen-1-ylnaphthalen-1-yl)phenyl]aniline (PubChem CID 170181035) has the molecular formula C44H29NS and a molecular weight of 603.79 g/mol. Its IUPAC name is 2-dibenzothiophen-2-yl-N-[3-(4-naphthalen-1-ylnaphthalen-1-yl)phenyl]aniline.

Molecular Properties

Compound Name2-dibenzothiophen-2-yl-N-[3-(4-naphthalen-1-ylnaphthalen-1-yl)phenyl]aniline
PubChem CID170181035
Molecular FormulaC44H29NS
Molecular Weight603.79 g/mol
Exact Mass603.20
IUPAC Name2-dibenzothiophen-2-yl-N-[3-(4-naphthalen-1-ylnaphthalen-1-yl)phenyl]aniline
SMILESc1cc(Nc2ccccc2-c2ccc3sc4ccccc4c3c2)cc(-c2ccc(-c3cccc4ccccc34)c3ccccc23)c1
InChIInChI=1S/C44H29NS/c1-2-15-33-29(11-1)12-10-20-37(33)39-25-24-34(36-17-3-4-18-38(36)39)30-13-9-14-32(27-30)45-42-21-7-5-16-35(42)31-23-26-44-41(28-31)40-19-6-8-22-43(40)46-44/h1-28,45H
InChIKeyYLZMCTDLUBZDJP-UHFFFAOYSA-N
XLogP13.11
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500603.79
LogP ≤ 513.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-dibenzothiophen-2-yl-N-[3-(4-naphthalen-1-ylnaphthalen-1-yl)phenyl]aniline 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-(3-dibenzothiophen-4-ylphenyl)-2-naphthalen-1-ylaniline
CID 168766680
2-naphthalen-1-yl-N-(3-naphthalen-1-ylphenyl)aniline
CID 126709673
N-(3-naphthalen-1-ylphenyl)-2-(4-phenylphenyl)aniline
CID 177069740
4-dibenzothiophen-2-yl-N-phenylnaphthalen-1-amine
CID 164934429
N-(4-naphthalen-1-ylphenyl)dibenzothiophen-2-amine;N-(3-phenylphenyl)dibenzothiophen-2-amine;N-(4-phenylphenyl)dibenzothiophen-2-amine;N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 164973575
N-[3-[4-(1-benzothiophen-5-yl)naphthalen-1-yl]phenyl]-2-phenylaniline
CID 170181051
8-(3,5-diphenylphenyl)-N-(3-naphthalen-1-yl-5-phenylphenyl)dibenzothiophen-2-amine
CID 118683821
N-(3,5-diphenylphenyl)dibenzothiophen-1-amine;N-(4-naphthalen-1-ylphenyl)dibenzothiophen-2-amine;N-(6-phenylnaphthalen-2-yl)dibenzothiophen-2-amine;N-(3-phenylphenyl)dibenzothiophen-2-amine
CID 158916839
N-(3-dibenzothiophen-2-ylphenyl)-9-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 163448501
3-dibenzothiophen-2-yl-N-(3-naphthalen-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline
CID 168767039
3-N-(3-naphthalen-1-ylphenyl)-1-N-phenylbenzene-1,3-diamine
CID 139380119
N-(4-dibenzothiophen-2-ylphenyl)-5-naphthalen-1-yl-2-phenyl-N-(4-phenylphenyl)aniline
CID 167236356

Frequently Asked Questions

What is the IUPAC name of 2-dibenzothiophen-2-yl-N-[3-(4-naphthalen-1-ylnaphthalen-1-yl)phenyl]aniline?
The IUPAC name of 2-dibenzothiophen-2-yl-N-[3-(4-naphthalen-1-ylnaphthalen-1-yl)phenyl]aniline (CID 170181035) is 2-dibenzothiophen-2-yl-N-[3-(4-naphthalen-1-ylnaphthalen-1-yl)phenyl]aniline.
What is the SMILES notation for 2-dibenzothiophen-2-yl-N-[3-(4-naphthalen-1-ylnaphthalen-1-yl)phenyl]aniline?
The canonical SMILES for 2-dibenzothiophen-2-yl-N-[3-(4-naphthalen-1-ylnaphthalen-1-yl)phenyl]aniline is c1cc(Nc2ccccc2-c2ccc3sc4ccccc4c3c2)cc(-c2ccc(-c3cccc4ccccc34)c3ccccc23)c1.
What is the InChIKey of 2-dibenzothiophen-2-yl-N-[3-(4-naphthalen-1-ylnaphthalen-1-yl)phenyl]aniline?
The InChIKey is YLZMCTDLUBZDJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H29NS/c1-2-15-33-29(11-1)12-10-20-37(33)39-25-24-34(36-17-3-4-18-38(36)39)30-13-9-14-32(27-30)45-42-21-7-5-16-35(42)31-23-26-44-41(28-31)40-19-6-8-22-43(40)46-44/h1-28,45H.
What are the key properties of 2-dibenzothiophen-2-yl-N-[3-(4-naphthalen-1-ylnaphthalen-1-yl)phenyl]aniline?
2-dibenzothiophen-2-yl-N-[3-(4-naphthalen-1-ylnaphthalen-1-yl)phenyl]aniline has a molecular weight of 603.79 g/mol, XLogP of 13.11, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzothiophen-2-yl-N-[3-(4-naphthalen-1-ylnaphthalen-1-yl)phenyl]aniline is sourced from PubChem (CID 170181035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).