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

C50H33NO — CID 170535027

IUPACN-(3-dibenzofuran-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]naphthalen-1-amine
SMILESc1cc(-c2cccc3oc4ccccc4c23)cc(N(c2ccc(-c3ccc(-c4cccc5ccccc45)cc3)cc2)c2cccc3ccccc23)c1
InChIInChI=1S/C50H33NO/c1-3-17-42-36(11-1)13-8-20-43(42)38-27-25-34(26-28-38)35-29-31-40(32-30-35)51(47-22-9-14-37-12-2-4-18-44(37)47)41-16-7-15-39(33-41)45-21-10-24-49-50(45)46-19-5-6-23-48(46)52-49/h1-33H
InChIKeyLGRRATFXVUPROT-UHFFFAOYSA-N
MW663.82 g/mol
LogP14.36
Rot. Bonds6

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

N-(3-dibenzofuran-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]naphthalen-1-amine (PubChem CID 170535027) has the molecular formula C50H33NO and a molecular weight of 663.82 g/mol. Its IUPAC name is N-(3-dibenzofuran-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]naphthalen-1-amine.

Molecular Properties

Compound NameN-(3-dibenzofuran-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]naphthalen-1-amine
PubChem CID170535027
Molecular FormulaC50H33NO
Molecular Weight663.82 g/mol
Exact Mass663.26
IUPAC NameN-(3-dibenzofuran-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]naphthalen-1-amine
SMILESc1cc(-c2cccc3oc4ccccc4c23)cc(N(c2ccc(-c3ccc(-c4cccc5ccccc45)cc3)cc2)c2cccc3ccccc23)c1
InChIInChI=1S/C50H33NO/c1-3-17-42-36(11-1)13-8-20-43(42)38-27-25-34(26-28-38)35-29-31-40(32-30-35)51(47-22-9-14-37-12-2-4-18-44(37)47)41-16-7-15-39(33-41)45-21-10-24-49-50(45)46-19-5-6-23-48(46)52-49/h1-33H
InChIKeyLGRRATFXVUPROT-UHFFFAOYSA-N
XLogP14.36
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500663.82
LogP ≤ 514.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-(3-dibenzofuran-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]naphthalen-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-naphthalen-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]dibenzofuran-1-amine
CID 176810710
N-(3-dibenzofuran-1-ylphenyl)-5-naphthalen-1-yl-2-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 167233850
N-(4-dibenzofuran-1-ylphenyl)-N-(3-naphthalen-1-ylphenyl)-2-(4-phenanthren-2-ylphenyl)aniline
CID 176810397
N-(3-dibenzofuran-1-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)naphthalen-1-amine
CID 170676836
N-(3-dibenzofuran-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)phenanthren-9-amine
CID 170535069
N-(4-dibenzofuran-1-ylphenyl)-N-(3-phenanthren-1-ylphenyl)-2-(4-phenanthren-1-ylphenyl)aniline
CID 176810481
N-(3-dibenzofuran-1-ylphenyl)-N-(3-naphthalen-1-ylphenyl)-2-(8-phenylnaphthalen-1-yl)aniline
CID 170301232
2-dibenzofuran-1-yl-N-(3-naphthalen-2-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline
CID 167324594
N-(3-dibenzofuran-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]phenanthren-2-amine
CID 170535097
N-(3-dibenzofuran-1-ylphenyl)-N-(4-phenylphenyl)chrysen-1-amine
CID 170137895
N-(3-dibenzofuran-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171738835
N-(4-dibenzofuran-1-ylphenyl)-N-(3-phenanthren-1-ylphenyl)-2-(4-phenanthren-3-ylphenyl)aniline
CID 176810652

Frequently Asked Questions

What is the IUPAC name of N-(3-dibenzofuran-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]naphthalen-1-amine?
The IUPAC name of N-(3-dibenzofuran-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]naphthalen-1-amine (CID 170535027) is N-(3-dibenzofuran-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]naphthalen-1-amine.
What is the SMILES notation for N-(3-dibenzofuran-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]naphthalen-1-amine?
The canonical SMILES for N-(3-dibenzofuran-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]naphthalen-1-amine is c1cc(-c2cccc3oc4ccccc4c23)cc(N(c2ccc(-c3ccc(-c4cccc5ccccc45)cc3)cc2)c2cccc3ccccc23)c1.
What is the InChIKey of N-(3-dibenzofuran-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]naphthalen-1-amine?
The InChIKey is LGRRATFXVUPROT-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H33NO/c1-3-17-42-36(11-1)13-8-20-43(42)38-27-25-34(26-28-38)35-29-31-40(32-30-35)51(47-22-9-14-37-12-2-4-18-44(37)47)41-16-7-15-39(33-41)45-21-10-24-49-50(45)46-19-5-6-23-48(46)52-49/h1-33H.
What are the key properties of N-(3-dibenzofuran-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]naphthalen-1-amine?
N-(3-dibenzofuran-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]naphthalen-1-amine has a molecular weight of 663.82 g/mol, XLogP of 14.36, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-dibenzofuran-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]naphthalen-1-amine is sourced from PubChem (CID 170535027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).