N-(3-dibenzofuran-1-ylphenyl)-9-(4-naphthalen-1-ylphenyl)dibenzofuran-1-amine

C46H29NO2 — CID 166775546

IUPACN-(3-dibenzofuran-1-ylphenyl)-9-(4-naphthalen-1-ylphenyl)dibenzofuran-1-amine
SMILESc1cc(Nc2cccc3oc4cccc(-c5ccc(-c6cccc7ccccc67)cc5)c4c23)cc(-c2cccc3oc4ccccc4c23)c1
InChIInChI=1S/C46H29NO2/c1-2-14-34-29(10-1)11-6-16-35(34)30-24-26-31(27-25-30)36-17-7-22-42-45(36)46-39(19-9-23-43(46)49-42)47-33-13-5-12-32(28-33)37-18-8-21-41-44(37)38-15-3-4-20-40(38)48-41/h1-28,47H
InChIKeyZPYXTFSQQQYXJL-UHFFFAOYSA-N
MW627.74 g/mol
LogP13.38
Rot. Bonds5

About N-(3-dibenzofuran-1-ylphenyl)-9-(4-naphthalen-1-ylphenyl)dibenzofuran-1-amine

N-(3-dibenzofuran-1-ylphenyl)-9-(4-naphthalen-1-ylphenyl)dibenzofuran-1-amine (PubChem CID 166775546) has the molecular formula C46H29NO2 and a molecular weight of 627.74 g/mol. Its IUPAC name is N-(3-dibenzofuran-1-ylphenyl)-9-(4-naphthalen-1-ylphenyl)dibenzofuran-1-amine.

Molecular Properties

Compound NameN-(3-dibenzofuran-1-ylphenyl)-9-(4-naphthalen-1-ylphenyl)dibenzofuran-1-amine
PubChem CID166775546
Molecular FormulaC46H29NO2
Molecular Weight627.74 g/mol
Exact Mass627.22
IUPAC NameN-(3-dibenzofuran-1-ylphenyl)-9-(4-naphthalen-1-ylphenyl)dibenzofuran-1-amine
SMILESc1cc(Nc2cccc3oc4cccc(-c5ccc(-c6cccc7ccccc67)cc5)c4c23)cc(-c2cccc3oc4ccccc4c23)c1
InChIInChI=1S/C46H29NO2/c1-2-14-34-29(10-1)11-6-16-35(34)30-24-26-31(27-25-30)36-17-7-22-42-45(36)46-39(19-9-23-43(46)49-42)47-33-13-5-12-32(28-33)37-18-8-21-41-44(37)38-15-3-4-20-40(38)48-41/h1-28,47H
InChIKeyZPYXTFSQQQYXJL-UHFFFAOYSA-N
XLogP13.38
TPSA38.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500627.74
LogP ≤ 513.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(3-dibenzofuran-1-ylphenyl)-9-(4-naphthalen-1-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-(3-dibenzofuran-4-ylphenyl)-9-(4-naphthalen-1-ylphenyl)dibenzofuran-1-amine
CID 166775445
N-[3-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-1-amine
CID 170108986
N-(3-dibenzofuran-1-ylphenyl)-2-(8-phenylnaphthalen-1-yl)aniline
CID 170298496
N-(3-naphthalen-1-ylphenyl)-4-phenyldibenzofuran-1-amine
CID 172544792
N-[3-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 163590855
N-(3-naphthalen-1-ylphenyl)-2-(4-phenylphenyl)aniline
CID 177069740
2-naphthalen-1-yl-N-(3-naphthalen-1-ylphenyl)aniline
CID 126709673
N-(3-dibenzothiophen-2-ylphenyl)-9-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 163448501
N-(3-dibenzofuran-2-ylphenyl)-2-phenylaniline
CID 121360316
1-(3-dibenzofuran-1-ylphenyl)dibenzofuran
CID 170213719
N-(4-dibenzofuran-1-ylphenyl)-5-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-2-phenylaniline
CID 167234839
2-[4-[3-(2-anilinophenyl)phenyl]phenyl]-N-(3-dibenzofuran-3-ylphenyl)aniline
CID 118534074

Frequently Asked Questions

What is the IUPAC name of N-(3-dibenzofuran-1-ylphenyl)-9-(4-naphthalen-1-ylphenyl)dibenzofuran-1-amine?
The IUPAC name of N-(3-dibenzofuran-1-ylphenyl)-9-(4-naphthalen-1-ylphenyl)dibenzofuran-1-amine (CID 166775546) is N-(3-dibenzofuran-1-ylphenyl)-9-(4-naphthalen-1-ylphenyl)dibenzofuran-1-amine.
What is the SMILES notation for N-(3-dibenzofuran-1-ylphenyl)-9-(4-naphthalen-1-ylphenyl)dibenzofuran-1-amine?
The canonical SMILES for N-(3-dibenzofuran-1-ylphenyl)-9-(4-naphthalen-1-ylphenyl)dibenzofuran-1-amine is c1cc(Nc2cccc3oc4cccc(-c5ccc(-c6cccc7ccccc67)cc5)c4c23)cc(-c2cccc3oc4ccccc4c23)c1.
What is the InChIKey of N-(3-dibenzofuran-1-ylphenyl)-9-(4-naphthalen-1-ylphenyl)dibenzofuran-1-amine?
The InChIKey is ZPYXTFSQQQYXJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H29NO2/c1-2-14-34-29(10-1)11-6-16-35(34)30-24-26-31(27-25-30)36-17-7-22-42-45(36)46-39(19-9-23-43(46)49-42)47-33-13-5-12-32(28-33)37-18-8-21-41-44(37)38-15-3-4-20-40(38)48-41/h1-28,47H.
What are the key properties of N-(3-dibenzofuran-1-ylphenyl)-9-(4-naphthalen-1-ylphenyl)dibenzofuran-1-amine?
N-(3-dibenzofuran-1-ylphenyl)-9-(4-naphthalen-1-ylphenyl)dibenzofuran-1-amine has a molecular weight of 627.74 g/mol, XLogP of 13.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-dibenzofuran-1-ylphenyl)-9-(4-naphthalen-1-ylphenyl)dibenzofuran-1-amine is sourced from PubChem (CID 166775546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).