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

C48H31NO2 — CID 176824526

IUPAC4-(2-dibenzofuran-1-ylphenyl)-N-phenyl-N-(4-phenylphenyl)dibenzofuran-1-amine
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccccc4-c4cccc5oc6ccccc6c45)c4oc5ccccc5c34)cc2)cc1
InChIInChI=1S/C48H31NO2/c1-3-14-32(15-4-1)33-26-28-35(29-27-33)49(34-16-5-2-6-17-34)42-31-30-39(48-47(42)41-21-10-12-24-44(41)51-48)37-19-8-7-18-36(37)38-22-13-25-45-46(38)40-20-9-11-23-43(40)50-45/h1-31H
InChIKeyXXQRAPWHMVOLJU-UHFFFAOYSA-N
MW653.78 g/mol
LogP13.96
Rot. Bonds6

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

4-(2-dibenzofuran-1-ylphenyl)-N-phenyl-N-(4-phenylphenyl)dibenzofuran-1-amine (PubChem CID 176824526) has the molecular formula C48H31NO2 and a molecular weight of 653.78 g/mol. Its IUPAC name is 4-(2-dibenzofuran-1-ylphenyl)-N-phenyl-N-(4-phenylphenyl)dibenzofuran-1-amine.

Molecular Properties

Compound Name4-(2-dibenzofuran-1-ylphenyl)-N-phenyl-N-(4-phenylphenyl)dibenzofuran-1-amine
PubChem CID176824526
Molecular FormulaC48H31NO2
Molecular Weight653.78 g/mol
Exact Mass653.24
IUPAC Name4-(2-dibenzofuran-1-ylphenyl)-N-phenyl-N-(4-phenylphenyl)dibenzofuran-1-amine
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccccc4-c4cccc5oc6ccccc6c45)c4oc5ccccc5c34)cc2)cc1
InChIInChI=1S/C48H31NO2/c1-3-14-32(15-4-1)33-26-28-35(29-27-33)49(34-16-5-2-6-17-34)42-31-30-39(48-47(42)41-21-10-12-24-44(41)51-48)37-19-8-7-18-36(37)38-22-13-25-45-46(38)40-20-9-11-23-43(40)50-45/h1-31H
InChIKeyXXQRAPWHMVOLJU-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 4-(2-dibenzofuran-1-ylphenyl)-N-phenyl-N-(4-phenylphenyl)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

4-dibenzofuran-4-yl-N,N-bis(4-phenylphenyl)dibenzofuran-1-amine
CID 153447933
1-dibenzofuran-4-yl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 153447940
4-naphthalen-1-yl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-[2-(4-phenylphenyl)phenyl]phenyl]dibenzofuran-1-amine
CID 168848086
N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-[2-(2-naphthalen-1-ylphenyl)phenyl]phenyl]-4-phenyldibenzofuran-1-amine
CID 168848092
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
3-(1-dibenzofuran-1-yldibenzofuran-4-yl)-N,N-bis(4-phenylphenyl)aniline
CID 153447932
N-(4-phenylphenyl)-N-tetraphenylen-2-yldibenzofuran-1-amine
CID 139297932
N-(4-naphthalen-1-ylphenyl)-N-[4-[2-(2-naphthalen-1-ylphenyl)phenyl]phenyl]-4-phenyldibenzofuran-1-amine
CID 168847848
4-phenanthren-9-yl-N-(4-phenylphenyl)-N-[3-(2-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 177069305
4-naphthalen-1-yl-N-[3-(4-phenylphenyl)phenyl]-N-(4-triphenylen-2-ylphenyl)dibenzofuran-1-amine
CID 177069719
4-phenyl-N-(3-phenylphenyl)-N-[3-(3-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 177069608

Frequently Asked Questions

What is the IUPAC name of 4-(2-dibenzofuran-1-ylphenyl)-N-phenyl-N-(4-phenylphenyl)dibenzofuran-1-amine?
The IUPAC name of 4-(2-dibenzofuran-1-ylphenyl)-N-phenyl-N-(4-phenylphenyl)dibenzofuran-1-amine (CID 176824526) is 4-(2-dibenzofuran-1-ylphenyl)-N-phenyl-N-(4-phenylphenyl)dibenzofuran-1-amine.
What is the SMILES notation for 4-(2-dibenzofuran-1-ylphenyl)-N-phenyl-N-(4-phenylphenyl)dibenzofuran-1-amine?
The canonical SMILES for 4-(2-dibenzofuran-1-ylphenyl)-N-phenyl-N-(4-phenylphenyl)dibenzofuran-1-amine is c1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccccc4-c4cccc5oc6ccccc6c45)c4oc5ccccc5c34)cc2)cc1.
What is the InChIKey of 4-(2-dibenzofuran-1-ylphenyl)-N-phenyl-N-(4-phenylphenyl)dibenzofuran-1-amine?
The InChIKey is XXQRAPWHMVOLJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H31NO2/c1-3-14-32(15-4-1)33-26-28-35(29-27-33)49(34-16-5-2-6-17-34)42-31-30-39(48-47(42)41-21-10-12-24-44(41)51-48)37-19-8-7-18-36(37)38-22-13-25-45-46(38)40-20-9-11-23-43(40)50-45/h1-31H.
What are the key properties of 4-(2-dibenzofuran-1-ylphenyl)-N-phenyl-N-(4-phenylphenyl)dibenzofuran-1-amine?
4-(2-dibenzofuran-1-ylphenyl)-N-phenyl-N-(4-phenylphenyl)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 4-(2-dibenzofuran-1-ylphenyl)-N-phenyl-N-(4-phenylphenyl)dibenzofuran-1-amine is sourced from PubChem (CID 176824526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).