N-(4-dibenzofuran-1-ylphenyl)-N-[2-(3-phenylphenyl)phenyl]dibenzofuran-1-amine

C48H31NO2 — CID 155186946

IUPACN-(4-dibenzofuran-1-ylphenyl)-N-[2-(3-phenylphenyl)phenyl]dibenzofuran-1-amine
SMILESc1ccc(-c2cccc(-c3ccccc3N(c3ccc(-c4cccc5oc6ccccc6c45)cc3)c3cccc4oc5ccccc5c34)c2)cc1
InChIInChI=1S/C48H31NO2/c1-2-13-32(14-3-1)34-15-10-16-35(31-34)37-17-4-7-21-41(37)49(42-22-12-26-46-48(42)40-19-6-9-24-44(40)51-46)36-29-27-33(28-30-36)38-20-11-25-45-47(38)39-18-5-8-23-43(39)50-45/h1-31H
InChIKeyDDSJDKHFNOGQTK-UHFFFAOYSA-N
MW653.78 g/mol
LogP13.96
Rot. Bonds6

About N-(4-dibenzofuran-1-ylphenyl)-N-[2-(3-phenylphenyl)phenyl]dibenzofuran-1-amine

N-(4-dibenzofuran-1-ylphenyl)-N-[2-(3-phenylphenyl)phenyl]dibenzofuran-1-amine (PubChem CID 155186946) has the molecular formula C48H31NO2 and a molecular weight of 653.78 g/mol. Its IUPAC name is N-(4-dibenzofuran-1-ylphenyl)-N-[2-(3-phenylphenyl)phenyl]dibenzofuran-1-amine.

Molecular Properties

Compound NameN-(4-dibenzofuran-1-ylphenyl)-N-[2-(3-phenylphenyl)phenyl]dibenzofuran-1-amine
PubChem CID155186946
Molecular FormulaC48H31NO2
Molecular Weight653.78 g/mol
Exact Mass653.24
IUPAC NameN-(4-dibenzofuran-1-ylphenyl)-N-[2-(3-phenylphenyl)phenyl]dibenzofuran-1-amine
SMILESc1ccc(-c2cccc(-c3ccccc3N(c3ccc(-c4cccc5oc6ccccc6c45)cc3)c3cccc4oc5ccccc5c34)c2)cc1
InChIInChI=1S/C48H31NO2/c1-2-13-32(14-3-1)34-15-10-16-35(31-34)37-17-4-7-21-41(37)49(42-22-12-26-46-48(42)40-19-6-9-24-44(40)51-46)36-29-27-33(28-30-36)38-20-11-25-45-47(38)39-18-5-8-23-43(39)50-45/h1-31H
InChIKeyDDSJDKHFNOGQTK-UHFFFAOYSA-N
XLogP13.96
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500653.78
LogP ≤ 513.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-(4-dibenzofuran-1-ylphenyl)-N-[2-(3-phenylphenyl)phenyl]dibenzofuran-1-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-(4-dibenzofuran-1-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 155186962
N-[4-(3-phenylphenyl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-1-amine
CID 172502312
N-(2-dibenzofuran-1-ylphenyl)-N-phenyldibenzofuran-1-amine;N-(2-dibenzofuran-1-ylphenyl)-N-(2-phenylphenyl)dibenzofuran-1-amine;N-(2-dibenzofuran-1-ylphenyl)-N-(3-phenylphenyl)dibenzofuran-1-amine;N-(2-dibenzofuran-1-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-1-amine;N-(2-dibenzofuran-1-ylphenyl)-N-[2-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 158387257
N-(4-dibenzofuran-1-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 155186868
N-(2-dibenzofuran-1-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 155186765
N-(2-dibenzofuran-2-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 155186723
N-(4-dibenzofuran-1-ylphenyl)-N-(4-phenylphenyl)-2-[3-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]aniline
CID 167086977
N-[4-(3-phenylnaphthalen-2-yl)phenyl]-N-[2-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 154605463
2-[3-(N-(4-dibenzofuran-1-ylphenyl)-4-phenylanilino)phenyl]-N,N-bis(4-phenylphenyl)aniline
CID 167087132
N-[4-[4-(N-dibenzofuran-1-ylanilino)-3-phenylphenyl]phenyl]-N-phenyldibenzofuran-1-amine
CID 146582237
N-(4-dibenzofuran-1-ylphenyl)-3-phenyl-2-(2-phenylphenyl)-N-[2-(4-phenylphenyl)phenyl]aniline
CID 168789602
N-(4-naphthalen-2-ylphenyl)-N-[2-(4-naphthalen-2-ylphenyl)phenyl]dibenzofuran-1-amine
CID 176810491

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-1-ylphenyl)-N-[2-(3-phenylphenyl)phenyl]dibenzofuran-1-amine?
The IUPAC name of N-(4-dibenzofuran-1-ylphenyl)-N-[2-(3-phenylphenyl)phenyl]dibenzofuran-1-amine (CID 155186946) is N-(4-dibenzofuran-1-ylphenyl)-N-[2-(3-phenylphenyl)phenyl]dibenzofuran-1-amine.
What is the SMILES notation for N-(4-dibenzofuran-1-ylphenyl)-N-[2-(3-phenylphenyl)phenyl]dibenzofuran-1-amine?
The canonical SMILES for N-(4-dibenzofuran-1-ylphenyl)-N-[2-(3-phenylphenyl)phenyl]dibenzofuran-1-amine is c1ccc(-c2cccc(-c3ccccc3N(c3ccc(-c4cccc5oc6ccccc6c45)cc3)c3cccc4oc5ccccc5c34)c2)cc1.
What is the InChIKey of N-(4-dibenzofuran-1-ylphenyl)-N-[2-(3-phenylphenyl)phenyl]dibenzofuran-1-amine?
The InChIKey is DDSJDKHFNOGQTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H31NO2/c1-2-13-32(14-3-1)34-15-10-16-35(31-34)37-17-4-7-21-41(37)49(42-22-12-26-46-48(42)40-19-6-9-24-44(40)51-46)36-29-27-33(28-30-36)38-20-11-25-45-47(38)39-18-5-8-23-43(39)50-45/h1-31H.
What are the key properties of N-(4-dibenzofuran-1-ylphenyl)-N-[2-(3-phenylphenyl)phenyl]dibenzofuran-1-amine?
N-(4-dibenzofuran-1-ylphenyl)-N-[2-(3-phenylphenyl)phenyl]dibenzofuran-1-amine has a molecular weight of 653.78 g/mol, XLogP of 13.96, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzofuran-1-ylphenyl)-N-[2-(3-phenylphenyl)phenyl]dibenzofuran-1-amine is sourced from PubChem (CID 155186946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).