N-(3-dibenzofuran-4-ylphenyl)-N-(3-naphthalen-2-ylphenyl)dibenzofuran-1-amine

C46H29NO2 — CID 155186908

IUPACN-(3-dibenzofuran-4-ylphenyl)-N-(3-naphthalen-2-ylphenyl)dibenzofuran-1-amine
SMILESc1cc(-c2ccc3ccccc3c2)cc(N(c2cccc(-c3cccc4c3oc3ccccc34)c2)c2cccc3oc4ccccc4c23)c1
InChIInChI=1S/C46H29NO2/c1-2-12-31-27-33(26-25-30(31)11-1)32-13-7-15-35(28-32)47(41-21-10-24-44-45(41)40-18-4-6-23-43(40)48-44)36-16-8-14-34(29-36)37-19-9-20-39-38-17-3-5-22-42(38)49-46(37)39/h1-29H
InChIKeyFQVSWQKBPZOQJI-UHFFFAOYSA-N
MW627.74 g/mol
LogP13.44
Rot. Bonds5

About N-(3-dibenzofuran-4-ylphenyl)-N-(3-naphthalen-2-ylphenyl)dibenzofuran-1-amine

N-(3-dibenzofuran-4-ylphenyl)-N-(3-naphthalen-2-ylphenyl)dibenzofuran-1-amine (PubChem CID 155186908) has the molecular formula C46H29NO2 and a molecular weight of 627.74 g/mol. Its IUPAC name is N-(3-dibenzofuran-4-ylphenyl)-N-(3-naphthalen-2-ylphenyl)dibenzofuran-1-amine.

Molecular Properties

Compound NameN-(3-dibenzofuran-4-ylphenyl)-N-(3-naphthalen-2-ylphenyl)dibenzofuran-1-amine
PubChem CID155186908
Molecular FormulaC46H29NO2
Molecular Weight627.74 g/mol
Exact Mass627.22
IUPAC NameN-(3-dibenzofuran-4-ylphenyl)-N-(3-naphthalen-2-ylphenyl)dibenzofuran-1-amine
SMILESc1cc(-c2ccc3ccccc3c2)cc(N(c2cccc(-c3cccc4c3oc3ccccc34)c2)c2cccc3oc4ccccc4c23)c1
InChIInChI=1S/C46H29NO2/c1-2-12-31-27-33(26-25-30(31)11-1)32-13-7-15-35(28-32)47(41-21-10-24-44-45(41)40-18-4-6-23-43(40)48-44)36-16-8-14-34(29-36)37-19-9-20-39-38-17-3-5-22-42(38)49-46(37)39/h1-29H
InChIKeyFQVSWQKBPZOQJI-UHFFFAOYSA-N
XLogP13.44
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500627.74
LogP ≤ 513.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-(3-dibenzofuran-4-ylphenyl)-N-(3-naphthalen-2-ylphenyl)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-4-ylphenyl)-N-(3-naphthalen-2-ylphenyl)dibenzofuran-1-amine
CID 155186610
N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)dibenzofuran-1-amine
CID 155186611
2-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[3-(3-naphthalen-2-ylphenyl)phenyl]aniline
CID 167326067
N-(3-dibenzofuran-4-ylphenyl)-N-(10-naphthalen-2-ylphenanthren-9-yl)dibenzofuran-1-amine
CID 155304965
N-(4-dibenzofuran-4-ylphenyl)-N-(3-naphthalen-2-ylphenyl)-2-[2-[2-(4-phenylphenyl)phenyl]phenyl]aniline
CID 172502739
2-dibenzofuran-2-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[3-(2-naphthalen-2-ylphenyl)phenyl]aniline
CID 167326166
N-(3-naphthalen-2-ylphenyl)-N-phenyldibenzofuran-1-amine
CID 167323696
N-(4-naphthalen-2-ylphenyl)-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]dibenzofuran-1-amine
CID 168805244
N-(3-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-2-[5-phenyl-2-(2-phenylphenyl)phenyl]aniline
CID 172501519
N-(3-dibenzofuran-4-ylphenyl)-2-[2-(2,5-diphenylphenyl)phenyl]-N-(3-naphthalen-2-ylphenyl)aniline
CID 172501796
N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-3-[4-(2-naphthalen-2-ylphenyl)phenyl]aniline
CID 155374301
4-naphthalen-2-yl-N-(3-phenylphenyl)-N-[3-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 177069783

Frequently Asked Questions

What is the IUPAC name of N-(3-dibenzofuran-4-ylphenyl)-N-(3-naphthalen-2-ylphenyl)dibenzofuran-1-amine?
The IUPAC name of N-(3-dibenzofuran-4-ylphenyl)-N-(3-naphthalen-2-ylphenyl)dibenzofuran-1-amine (CID 155186908) is N-(3-dibenzofuran-4-ylphenyl)-N-(3-naphthalen-2-ylphenyl)dibenzofuran-1-amine.
What is the SMILES notation for N-(3-dibenzofuran-4-ylphenyl)-N-(3-naphthalen-2-ylphenyl)dibenzofuran-1-amine?
The canonical SMILES for N-(3-dibenzofuran-4-ylphenyl)-N-(3-naphthalen-2-ylphenyl)dibenzofuran-1-amine is c1cc(-c2ccc3ccccc3c2)cc(N(c2cccc(-c3cccc4c3oc3ccccc34)c2)c2cccc3oc4ccccc4c23)c1.
What is the InChIKey of N-(3-dibenzofuran-4-ylphenyl)-N-(3-naphthalen-2-ylphenyl)dibenzofuran-1-amine?
The InChIKey is FQVSWQKBPZOQJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H29NO2/c1-2-12-31-27-33(26-25-30(31)11-1)32-13-7-15-35(28-32)47(41-21-10-24-44-45(41)40-18-4-6-23-43(40)48-44)36-16-8-14-34(29-36)37-19-9-20-39-38-17-3-5-22-42(38)49-46(37)39/h1-29H.
What are the key properties of N-(3-dibenzofuran-4-ylphenyl)-N-(3-naphthalen-2-ylphenyl)dibenzofuran-1-amine?
N-(3-dibenzofuran-4-ylphenyl)-N-(3-naphthalen-2-ylphenyl)dibenzofuran-1-amine has a molecular weight of 627.74 g/mol, XLogP of 13.44, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-dibenzofuran-4-ylphenyl)-N-(3-naphthalen-2-ylphenyl)dibenzofuran-1-amine is sourced from PubChem (CID 155186908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).