N-(4-phenylnaphthalen-1-yl)-N-[4-(6-phenylnaphthalen-2-yl)phenyl]dibenzothiophen-4-amine

C50H33NS — CID 154605730

IUPACN-(4-phenylnaphthalen-1-yl)-N-[4-(6-phenylnaphthalen-2-yl)phenyl]dibenzothiophen-4-amine
SMILESc1ccc(-c2ccc3cc(-c4ccc(N(c5ccc(-c6ccccc6)c6ccccc56)c5cccc6c5sc5ccccc56)cc4)ccc3c2)cc1
InChIInChI=1S/C50H33NS/c1-3-12-34(13-4-1)37-22-24-40-33-38(23-25-39(40)32-37)35-26-28-41(29-27-35)51(48-20-11-19-46-45-18-9-10-21-49(45)52-50(46)48)47-31-30-42(36-14-5-2-6-15-36)43-16-7-8-17-44(43)47/h1-33H
InChIKeyMBHGLDCQQJIZDX-UHFFFAOYSA-N
MW679.89 g/mol
LogP14.83
Rot. Bonds6

About N-(4-phenylnaphthalen-1-yl)-N-[4-(6-phenylnaphthalen-2-yl)phenyl]dibenzothiophen-4-amine

N-(4-phenylnaphthalen-1-yl)-N-[4-(6-phenylnaphthalen-2-yl)phenyl]dibenzothiophen-4-amine (PubChem CID 154605730) has the molecular formula C50H33NS and a molecular weight of 679.89 g/mol. Its IUPAC name is N-(4-phenylnaphthalen-1-yl)-N-[4-(6-phenylnaphthalen-2-yl)phenyl]dibenzothiophen-4-amine.

Molecular Properties

Compound NameN-(4-phenylnaphthalen-1-yl)-N-[4-(6-phenylnaphthalen-2-yl)phenyl]dibenzothiophen-4-amine
PubChem CID154605730
Molecular FormulaC50H33NS
Molecular Weight679.89 g/mol
Exact Mass679.23
IUPAC NameN-(4-phenylnaphthalen-1-yl)-N-[4-(6-phenylnaphthalen-2-yl)phenyl]dibenzothiophen-4-amine
SMILESc1ccc(-c2ccc3cc(-c4ccc(N(c5ccc(-c6ccccc6)c6ccccc56)c5cccc6c5sc5ccccc56)cc4)ccc3c2)cc1
InChIInChI=1S/C50H33NS/c1-3-12-34(13-4-1)37-22-24-40-33-38(23-25-39(40)32-37)35-26-28-41(29-27-35)51(48-20-11-19-46-45-18-9-10-21-49(45)52-50(46)48)47-31-30-42(36-14-5-2-6-15-36)43-16-7-8-17-44(43)47/h1-33H
InChIKeyMBHGLDCQQJIZDX-UHFFFAOYSA-N
XLogP14.83
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500679.89
LogP ≤ 514.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-(4-phenylnaphthalen-1-yl)-N-[4-(6-phenylnaphthalen-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-phenyl-N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]naphthalen-1-yl]dibenzothiophen-4-amine
CID 153299777
N-(4-phenanthren-2-ylphenyl)-7-phenyl-N-(4-phenylnaphthalen-1-yl)dibenzothiophen-4-amine
CID 167396822
N-(4-phenylphenyl)-N-[2-phenyl-4-(4-phenylphenyl)phenyl]dibenzothiophen-4-amine
CID 155122859
N-(4-phenylnaphthalen-1-yl)-N-[4-(3-phenylnaphthalen-2-yl)phenyl]dibenzothiophen-4-amine;N-[4-(3-phenylnaphthalen-2-yl)phenyl]-N-[2-(4-phenylphenyl)phenyl]dibenzothiophen-4-amine;N-[4-(3-phenylnaphthalen-2-yl)phenyl]-N-[3-(4-phenylphenyl)phenyl]dibenzothiophen-4-amine;N-[4-(3-phenylnaphthalen-2-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-4-amine
CID 158866237
N-[4-(3-naphthalen-2-ylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-4-amine
CID 166566107
N-(4-naphthalen-1-ylphenyl)-N-[4-(7-phenylnaphthalen-2-yl)phenyl]dibenzothiophen-4-amine
CID 154605620
N-dibenzothiophen-4-yl-N-[4-(5-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine
CID 139363076
N-dibenzothiophen-4-yl-3-phenyl-N-(6-phenylnaphthalen-2-yl)dibenzothiophen-4-amine
CID 171435177
N-[2-[2-(4-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)anilino)phenyl]phenyl]-N-(3-phenylphenyl)dibenzothiophen-4-amine
CID 167086408
N-(4-naphthalen-1-ylphenyl)-N-[4-(6-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine
CID 139355171
N-dibenzothiophen-4-yl-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-4-amine
CID 90350977
N-[4-(3-naphthalen-2-ylphenyl)phenyl]-N-(5-phenanthren-9-yl-2-phenylphenyl)dibenzothiophen-4-amine
CID 167235379

Frequently Asked Questions

What is the IUPAC name of N-(4-phenylnaphthalen-1-yl)-N-[4-(6-phenylnaphthalen-2-yl)phenyl]dibenzothiophen-4-amine?
The IUPAC name of N-(4-phenylnaphthalen-1-yl)-N-[4-(6-phenylnaphthalen-2-yl)phenyl]dibenzothiophen-4-amine (CID 154605730) is N-(4-phenylnaphthalen-1-yl)-N-[4-(6-phenylnaphthalen-2-yl)phenyl]dibenzothiophen-4-amine.
What is the SMILES notation for N-(4-phenylnaphthalen-1-yl)-N-[4-(6-phenylnaphthalen-2-yl)phenyl]dibenzothiophen-4-amine?
The canonical SMILES for N-(4-phenylnaphthalen-1-yl)-N-[4-(6-phenylnaphthalen-2-yl)phenyl]dibenzothiophen-4-amine is c1ccc(-c2ccc3cc(-c4ccc(N(c5ccc(-c6ccccc6)c6ccccc56)c5cccc6c5sc5ccccc56)cc4)ccc3c2)cc1.
What is the InChIKey of N-(4-phenylnaphthalen-1-yl)-N-[4-(6-phenylnaphthalen-2-yl)phenyl]dibenzothiophen-4-amine?
The InChIKey is MBHGLDCQQJIZDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H33NS/c1-3-12-34(13-4-1)37-22-24-40-33-38(23-25-39(40)32-37)35-26-28-41(29-27-35)51(48-20-11-19-46-45-18-9-10-21-49(45)52-50(46)48)47-31-30-42(36-14-5-2-6-15-36)43-16-7-8-17-44(43)47/h1-33H.
What are the key properties of N-(4-phenylnaphthalen-1-yl)-N-[4-(6-phenylnaphthalen-2-yl)phenyl]dibenzothiophen-4-amine?
N-(4-phenylnaphthalen-1-yl)-N-[4-(6-phenylnaphthalen-2-yl)phenyl]dibenzothiophen-4-amine has a molecular weight of 679.89 g/mol, XLogP of 14.83, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenylnaphthalen-1-yl)-N-[4-(6-phenylnaphthalen-2-yl)phenyl]dibenzothiophen-4-amine is sourced from PubChem (CID 154605730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).