N-(3-dibenzothiophen-1-ylphenyl)-N-(2-naphthalen-1-ylphenyl)dibenzofuran-3-amine

C46H29NOS — CID 168766712

IUPACN-(3-dibenzothiophen-1-ylphenyl)-N-(2-naphthalen-1-ylphenyl)dibenzofuran-3-amine
SMILESc1cc(-c2cccc3sc4ccccc4c23)cc(N(c2ccc3c(c2)oc2ccccc23)c2ccccc2-c2cccc3ccccc23)c1
InChIInChI=1S/C46H29NOS/c1-2-16-34-30(12-1)13-10-21-36(34)37-17-3-6-22-41(37)47(33-26-27-39-38-18-4-7-23-42(38)48-43(39)29-33)32-15-9-14-31(28-32)35-20-11-25-45-46(35)40-19-5-8-24-44(40)49-45/h1-29H
InChIKeyBBYGTJSMSOJQJZ-UHFFFAOYSA-N
MW643.81 g/mol
LogP13.91
Rot. Bonds5

About N-(3-dibenzothiophen-1-ylphenyl)-N-(2-naphthalen-1-ylphenyl)dibenzofuran-3-amine

N-(3-dibenzothiophen-1-ylphenyl)-N-(2-naphthalen-1-ylphenyl)dibenzofuran-3-amine (PubChem CID 168766712) has the molecular formula C46H29NOS and a molecular weight of 643.81 g/mol. Its IUPAC name is N-(3-dibenzothiophen-1-ylphenyl)-N-(2-naphthalen-1-ylphenyl)dibenzofuran-3-amine.

Molecular Properties

Compound NameN-(3-dibenzothiophen-1-ylphenyl)-N-(2-naphthalen-1-ylphenyl)dibenzofuran-3-amine
PubChem CID168766712
Molecular FormulaC46H29NOS
Molecular Weight643.81 g/mol
Exact Mass643.20
IUPAC NameN-(3-dibenzothiophen-1-ylphenyl)-N-(2-naphthalen-1-ylphenyl)dibenzofuran-3-amine
SMILESc1cc(-c2cccc3sc4ccccc4c23)cc(N(c2ccc3c(c2)oc2ccccc23)c2ccccc2-c2cccc3ccccc23)c1
InChIInChI=1S/C46H29NOS/c1-2-16-34-30(12-1)13-10-21-36(34)37-17-3-6-22-41(37)47(33-26-27-39-38-18-4-7-23-42(38)48-43(39)29-33)32-15-9-14-31(28-32)35-20-11-25-45-46(35)40-19-5-8-24-44(40)49-45/h1-29H
InChIKeyBBYGTJSMSOJQJZ-UHFFFAOYSA-N
XLogP13.91
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500643.81
LogP ≤ 513.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-(3-dibenzothiophen-1-ylphenyl)-N-(2-naphthalen-1-ylphenyl)dibenzofuran-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-(2-dibenzothiophen-1-ylphenyl)-N-(3-naphthalen-1-ylphenyl)dibenzofuran-3-amine
CID 167325748
N-(4-dibenzofuran-4-ylphenyl)-N-(3-dibenzothiophen-1-ylphenyl)-2-naphthalen-1-ylaniline
CID 168767167
N-(3-dibenzothiophen-1-ylphenyl)-2-naphthalen-1-yl-N-(3-naphthalen-1-ylphenyl)aniline
CID 168766669
N-(3-dibenzothiophen-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)dibenzofuran-1-amine
CID 148814620
N-(2-dibenzothiophen-1-ylphenyl)-N-[3-(4-naphthalen-2-ylphenyl)phenyl]dibenzofuran-3-amine
CID 167325717
N-(3-dibenzofuran-3-ylphenyl)-N-(3-dibenzothiophen-3-ylphenyl)-2-naphthalen-1-ylaniline
CID 168767527
N-(3-dibenzofuran-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)dibenzothiophen-1-amine
CID 170535175
N-(2-dibenzothiophen-3-ylphenyl)-N-[3-(4-naphthalen-1-ylphenyl)phenyl]dibenzofuran-3-amine
CID 167326441
N-(2-dibenzofuran-1-ylphenyl)-N-[3-(2-naphthalen-1-ylphenyl)phenyl]dibenzofuran-3-amine
CID 167325582
N-(4-dibenzofuran-3-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)-3-naphthalen-1-ylaniline
CID 167324053
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(3-dibenzothiophen-1-ylphenyl)dibenzofuran-3-amine
CID 170300824
N-(4-dibenzofuran-4-ylphenyl)-N-(3-dibenzothiophen-1-ylphenyl)naphthalen-1-amine
CID 170676842

Frequently Asked Questions

What is the IUPAC name of N-(3-dibenzothiophen-1-ylphenyl)-N-(2-naphthalen-1-ylphenyl)dibenzofuran-3-amine?
The IUPAC name of N-(3-dibenzothiophen-1-ylphenyl)-N-(2-naphthalen-1-ylphenyl)dibenzofuran-3-amine (CID 168766712) is N-(3-dibenzothiophen-1-ylphenyl)-N-(2-naphthalen-1-ylphenyl)dibenzofuran-3-amine.
What is the SMILES notation for N-(3-dibenzothiophen-1-ylphenyl)-N-(2-naphthalen-1-ylphenyl)dibenzofuran-3-amine?
The canonical SMILES for N-(3-dibenzothiophen-1-ylphenyl)-N-(2-naphthalen-1-ylphenyl)dibenzofuran-3-amine is c1cc(-c2cccc3sc4ccccc4c23)cc(N(c2ccc3c(c2)oc2ccccc23)c2ccccc2-c2cccc3ccccc23)c1.
What is the InChIKey of N-(3-dibenzothiophen-1-ylphenyl)-N-(2-naphthalen-1-ylphenyl)dibenzofuran-3-amine?
The InChIKey is BBYGTJSMSOJQJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H29NOS/c1-2-16-34-30(12-1)13-10-21-36(34)37-17-3-6-22-41(37)47(33-26-27-39-38-18-4-7-23-42(38)48-43(39)29-33)32-15-9-14-31(28-32)35-20-11-25-45-46(35)40-19-5-8-24-44(40)49-45/h1-29H.
What are the key properties of N-(3-dibenzothiophen-1-ylphenyl)-N-(2-naphthalen-1-ylphenyl)dibenzofuran-3-amine?
N-(3-dibenzothiophen-1-ylphenyl)-N-(2-naphthalen-1-ylphenyl)dibenzofuran-3-amine has a molecular weight of 643.81 g/mol, XLogP of 13.91, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-dibenzothiophen-1-ylphenyl)-N-(2-naphthalen-1-ylphenyl)dibenzofuran-3-amine is sourced from PubChem (CID 168766712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).