N-(4-dibenzothiophen-2-ylphenyl)-N-(3,5-diphenylphenyl)dibenzofuran-4-amine

C48H31NOS — CID 129085192

IUPACN-(4-dibenzothiophen-2-ylphenyl)-N-(3,5-diphenylphenyl)dibenzofuran-4-amine
SMILESc1ccc(-c2cc(-c3ccccc3)cc(N(c3ccc(-c4ccc5sc6ccccc6c5c4)cc3)c3cccc4c3oc3ccccc34)c2)cc1
InChIInChI=1S/C48H31NOS/c1-3-12-32(13-4-1)36-28-37(33-14-5-2-6-15-33)30-39(29-36)49(44-19-11-18-42-40-16-7-9-20-45(40)50-48(42)44)38-25-22-34(23-26-38)35-24-27-47-43(31-35)41-17-8-10-21-46(41)51-47/h1-31H
InChIKeyGTEAZMQWJYYLKR-UHFFFAOYSA-N
MW669.85 g/mol
LogP14.42
Rot. Bonds6

About N-(4-dibenzothiophen-2-ylphenyl)-N-(3,5-diphenylphenyl)dibenzofuran-4-amine

N-(4-dibenzothiophen-2-ylphenyl)-N-(3,5-diphenylphenyl)dibenzofuran-4-amine (PubChem CID 129085192) has the molecular formula C48H31NOS and a molecular weight of 669.85 g/mol. Its IUPAC name is N-(4-dibenzothiophen-2-ylphenyl)-N-(3,5-diphenylphenyl)dibenzofuran-4-amine.

Molecular Properties

Compound NameN-(4-dibenzothiophen-2-ylphenyl)-N-(3,5-diphenylphenyl)dibenzofuran-4-amine
PubChem CID129085192
Molecular FormulaC48H31NOS
Molecular Weight669.85 g/mol
Exact Mass669.21
IUPAC NameN-(4-dibenzothiophen-2-ylphenyl)-N-(3,5-diphenylphenyl)dibenzofuran-4-amine
SMILESc1ccc(-c2cc(-c3ccccc3)cc(N(c3ccc(-c4ccc5sc6ccccc6c5c4)cc3)c3cccc4c3oc3ccccc34)c2)cc1
InChIInChI=1S/C48H31NOS/c1-3-12-32(13-4-1)36-28-37(33-14-5-2-6-15-33)30-39(29-36)49(44-19-11-18-42-40-16-7-9-20-45(40)50-48(42)44)38-25-22-34(23-26-38)35-24-27-47-43(31-35)41-17-8-10-21-46(41)51-47/h1-31H
InChIKeyGTEAZMQWJYYLKR-UHFFFAOYSA-N
XLogP14.42
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500669.85
LogP ≤ 514.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-(4-dibenzothiophen-2-ylphenyl)-N-(3,5-diphenylphenyl)dibenzofuran-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

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzothiophen-2-ylphenyl)-N-(3,5-diphenylphenyl)dibenzofuran-4-amine?
The IUPAC name of N-(4-dibenzothiophen-2-ylphenyl)-N-(3,5-diphenylphenyl)dibenzofuran-4-amine (CID 129085192) is N-(4-dibenzothiophen-2-ylphenyl)-N-(3,5-diphenylphenyl)dibenzofuran-4-amine.
What is the SMILES notation for N-(4-dibenzothiophen-2-ylphenyl)-N-(3,5-diphenylphenyl)dibenzofuran-4-amine?
The canonical SMILES for N-(4-dibenzothiophen-2-ylphenyl)-N-(3,5-diphenylphenyl)dibenzofuran-4-amine is c1ccc(-c2cc(-c3ccccc3)cc(N(c3ccc(-c4ccc5sc6ccccc6c5c4)cc3)c3cccc4c3oc3ccccc34)c2)cc1.
What is the InChIKey of N-(4-dibenzothiophen-2-ylphenyl)-N-(3,5-diphenylphenyl)dibenzofuran-4-amine?
The InChIKey is GTEAZMQWJYYLKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H31NOS/c1-3-12-32(13-4-1)36-28-37(33-14-5-2-6-15-33)30-39(29-36)49(44-19-11-18-42-40-16-7-9-20-45(40)50-48(42)44)38-25-22-34(23-26-38)35-24-27-47-43(31-35)41-17-8-10-21-46(41)51-47/h1-31H.
What are the key properties of N-(4-dibenzothiophen-2-ylphenyl)-N-(3,5-diphenylphenyl)dibenzofuran-4-amine?
N-(4-dibenzothiophen-2-ylphenyl)-N-(3,5-diphenylphenyl)dibenzofuran-4-amine has a molecular weight of 669.85 g/mol, XLogP of 14.42, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzothiophen-2-ylphenyl)-N-(3,5-diphenylphenyl)dibenzofuran-4-amine is sourced from PubChem (CID 129085192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).