N-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]dibenzothiophen-4-amine

C38H25NS — CID 177113837

IUPACN-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]dibenzothiophen-4-amine
SMILESc1ccc2cc(-c3ccc4cc(-c5ccc(Nc6cccc7c6sc6ccccc67)cc5)ccc4c3)ccc2c1
InChIInChI=1S/C38H25NS/c1-2-7-27-22-29(13-12-25(27)6-1)32-17-16-30-23-28(14-15-31(30)24-32)26-18-20-33(21-19-26)39-36-10-5-9-35-34-8-3-4-11-37(34)40-38(35)36/h1-24,39H
InChIKeySUZBBNDMOMOLAF-UHFFFAOYSA-N
MW527.69 g/mol
LogP11.44
Rot. Bonds4

About N-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]dibenzothiophen-4-amine

N-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]dibenzothiophen-4-amine (PubChem CID 177113837) has the molecular formula C38H25NS and a molecular weight of 527.69 g/mol. Its IUPAC name is N-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]dibenzothiophen-4-amine.

Molecular Properties

Compound NameN-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]dibenzothiophen-4-amine
PubChem CID177113837
Molecular FormulaC38H25NS
Molecular Weight527.69 g/mol
Exact Mass527.17
IUPAC NameN-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]dibenzothiophen-4-amine
SMILESc1ccc2cc(-c3ccc4cc(-c5ccc(Nc6cccc7c6sc6ccccc67)cc5)ccc4c3)ccc2c1
InChIInChI=1S/C38H25NS/c1-2-7-27-22-29(13-12-25(27)6-1)32-17-16-30-23-28(14-15-31(30)24-32)26-18-20-33(21-19-26)39-36-10-5-9-35-34-8-3-4-11-37(34)40-38(35)36/h1-24,39H
InChIKeySUZBBNDMOMOLAF-UHFFFAOYSA-N
XLogP11.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.69
LogP ≤ 511.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]dibenzothiophen-4-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-[3-(3-naphthalen-2-ylphenyl)phenyl]dibenzothiophen-4-amine
CID 175616007
N-(3-phenylphenyl)dibenzothiophen-4-amine
CID 147227535
N-[4-(2-phenylphenyl)phenyl]dibenzothiophen-4-amine
CID 177286416
N-[4-(3-naphthalen-2-ylnaphthalen-2-yl)phenyl]dibenzothiophen-1-amine
CID 177113902
1,1'-biphenyl;4-naphthalen-2-yl-N-[4-(2-phenyldibenzothiophen-3-yl)phenyl]aniline
CID 142405945
N-(7-phenylnaphthalen-2-yl)dibenzothiophen-1-amine
CID 168799176
2-N-(4-naphthalen-2-ylphenyl)-2-N-phenyl-6-N-(4-phenyldibenzothiophen-3-yl)naphthalene-2,6-diamine
CID 146360664
N-pyren-1-yldibenzothiophen-4-amine
CID 137457081
N-(4-naphthalen-2-ylphenyl)dibenzofuran-1-amine
CID 159380478
2-naphthalen-2-yl-N-[4-[4-(2-naphthalen-1-ylanilino)phenyl]phenyl]aniline
CID 69101182
N-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]dibenzofuran-4-amine
CID 177114269
N-[4-(4-naphthalen-2-ylphenyl)phenyl]dibenzofuran-4-amine
CID 172544746

Frequently Asked Questions

What is the IUPAC name of N-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]dibenzothiophen-4-amine?
The IUPAC name of N-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]dibenzothiophen-4-amine (CID 177113837) is N-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]dibenzothiophen-4-amine.
What is the SMILES notation for N-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]dibenzothiophen-4-amine?
The canonical SMILES for N-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]dibenzothiophen-4-amine is c1ccc2cc(-c3ccc4cc(-c5ccc(Nc6cccc7c6sc6ccccc67)cc5)ccc4c3)ccc2c1.
What is the InChIKey of N-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]dibenzothiophen-4-amine?
The InChIKey is SUZBBNDMOMOLAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H25NS/c1-2-7-27-22-29(13-12-25(27)6-1)32-17-16-30-23-28(14-15-31(30)24-32)26-18-20-33(21-19-26)39-36-10-5-9-35-34-8-3-4-11-37(34)40-38(35)36/h1-24,39H.
What are the key properties of N-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]dibenzothiophen-4-amine?
N-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]dibenzothiophen-4-amine has a molecular weight of 527.69 g/mol, XLogP of 11.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]dibenzothiophen-4-amine is sourced from PubChem (CID 177113837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).