N-(4-phenanthren-2-ylphenyl)-9-phenyl-N-(4-phenylnaphthalen-1-yl)dibenzofuran-4-amine

C54H35NO — CID 167397088

IUPACN-(4-phenanthren-2-ylphenyl)-9-phenyl-N-(4-phenylnaphthalen-1-yl)dibenzofuran-4-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc5c(ccc6ccccc65)c4)cc3)c3cccc4c3oc3cccc(-c5ccccc5)c34)c3ccccc23)cc1
InChIInChI=1S/C54H35NO/c1-3-13-37(14-4-1)44-33-34-50(48-20-10-9-19-47(44)48)55(51-23-11-22-49-53-46(38-15-5-2-6-16-38)21-12-24-52(53)56-54(49)51)42-30-27-36(28-31-42)40-29-32-45-41(35-40)26-25-39-17-7-8-18-43(39)45/h1-35H
InChIKeyVYDGKSWQDMVNQD-UHFFFAOYSA-N
MW713.88 g/mol
LogP15.52
Rot. Bonds6

About N-(4-phenanthren-2-ylphenyl)-9-phenyl-N-(4-phenylnaphthalen-1-yl)dibenzofuran-4-amine

N-(4-phenanthren-2-ylphenyl)-9-phenyl-N-(4-phenylnaphthalen-1-yl)dibenzofuran-4-amine (PubChem CID 167397088) has the molecular formula C54H35NO and a molecular weight of 713.88 g/mol. Its IUPAC name is N-(4-phenanthren-2-ylphenyl)-9-phenyl-N-(4-phenylnaphthalen-1-yl)dibenzofuran-4-amine.

Molecular Properties

Compound NameN-(4-phenanthren-2-ylphenyl)-9-phenyl-N-(4-phenylnaphthalen-1-yl)dibenzofuran-4-amine
PubChem CID167397088
Molecular FormulaC54H35NO
Molecular Weight713.88 g/mol
Exact Mass713.27
IUPAC NameN-(4-phenanthren-2-ylphenyl)-9-phenyl-N-(4-phenylnaphthalen-1-yl)dibenzofuran-4-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc5c(ccc6ccccc65)c4)cc3)c3cccc4c3oc3cccc(-c5ccccc5)c34)c3ccccc23)cc1
InChIInChI=1S/C54H35NO/c1-3-13-37(14-4-1)44-33-34-50(48-20-10-9-19-47(44)48)55(51-23-11-22-49-53-46(38-15-5-2-6-16-38)21-12-24-52(53)56-54(49)51)42-30-27-36(28-31-42)40-29-32-45-41(35-40)26-25-39-17-7-8-18-43(39)45/h1-35H
InChIKeyVYDGKSWQDMVNQD-UHFFFAOYSA-N
XLogP15.52
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500713.88
LogP ≤ 515.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze N-(4-phenanthren-2-ylphenyl)-9-phenyl-N-(4-phenylnaphthalen-1-yl)dibenzofuran-4-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-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-(4-phenanthren-2-ylphenyl)naphthalen-1-amine
CID 167330881
N-(4-naphthalen-2-ylphenyl)-N-(2-phenylphenyl)-9-(4-phenylphenyl)dibenzofuran-4-amine
CID 166055357
N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-4-phenylaniline
CID 167331023
N-naphthalen-1-yl-9-phenyl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 167397130
N-[4-(3,4-diphenylphenyl)phenyl]-2-naphtho[1,2-b][1]benzofuran-7-yl-N-(4-phenanthren-2-ylphenyl)aniline
CID 167331127
N-(4-naphthalen-2-ylphenyl)-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)phenanthren-1-amine
CID 170272446
N-(4-dibenzofuran-1-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-6-phenyldibenzofuran-4-amine
CID 167397813
N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-4-phenanthren-2-yl-N-(4-phenanthren-2-ylphenyl)aniline
CID 167329673
N-[4-(3,4-diphenylphenyl)phenyl]-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-2-phenylaniline
CID 167330996
N-(3,4-diphenylphenyl)-N-(4-naphthalen-2-ylphenyl)-9-phenyldibenzofuran-4-amine
CID 177080749
N-(4-dibenzofuran-1-ylphenyl)-N-(2,4-diphenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171737704
N-[4-(3,4-diphenylphenyl)phenyl]-N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)naphthalen-1-amine
CID 167331201

Frequently Asked Questions

What is the IUPAC name of N-(4-phenanthren-2-ylphenyl)-9-phenyl-N-(4-phenylnaphthalen-1-yl)dibenzofuran-4-amine?
The IUPAC name of N-(4-phenanthren-2-ylphenyl)-9-phenyl-N-(4-phenylnaphthalen-1-yl)dibenzofuran-4-amine (CID 167397088) is N-(4-phenanthren-2-ylphenyl)-9-phenyl-N-(4-phenylnaphthalen-1-yl)dibenzofuran-4-amine.
What is the SMILES notation for N-(4-phenanthren-2-ylphenyl)-9-phenyl-N-(4-phenylnaphthalen-1-yl)dibenzofuran-4-amine?
The canonical SMILES for N-(4-phenanthren-2-ylphenyl)-9-phenyl-N-(4-phenylnaphthalen-1-yl)dibenzofuran-4-amine is c1ccc(-c2ccc(N(c3ccc(-c4ccc5c(ccc6ccccc65)c4)cc3)c3cccc4c3oc3cccc(-c5ccccc5)c34)c3ccccc23)cc1.
What is the InChIKey of N-(4-phenanthren-2-ylphenyl)-9-phenyl-N-(4-phenylnaphthalen-1-yl)dibenzofuran-4-amine?
The InChIKey is VYDGKSWQDMVNQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H35NO/c1-3-13-37(14-4-1)44-33-34-50(48-20-10-9-19-47(44)48)55(51-23-11-22-49-53-46(38-15-5-2-6-16-38)21-12-24-52(53)56-54(49)51)42-30-27-36(28-31-42)40-29-32-45-41(35-40)26-25-39-17-7-8-18-43(39)45/h1-35H.
What are the key properties of N-(4-phenanthren-2-ylphenyl)-9-phenyl-N-(4-phenylnaphthalen-1-yl)dibenzofuran-4-amine?
N-(4-phenanthren-2-ylphenyl)-9-phenyl-N-(4-phenylnaphthalen-1-yl)dibenzofuran-4-amine has a molecular weight of 713.88 g/mol, XLogP of 15.52, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenanthren-2-ylphenyl)-9-phenyl-N-(4-phenylnaphthalen-1-yl)dibenzofuran-4-amine is sourced from PubChem (CID 167397088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).