9-methyl-N-(4-phenanthren-9-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-1-amine

C45H31NO — CID 176757417

IUPAC9-methyl-N-(4-phenanthren-9-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-1-amine
SMILESCc1cccc2oc3cccc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5cc6ccccc6c6ccccc56)cc4)c3c12
InChIInChI=1S/C45H31NO/c1-30-11-9-19-42-44(30)45-41(18-10-20-43(45)47-42)46(35-25-21-32(22-26-35)31-12-3-2-4-13-31)36-27-23-33(24-28-36)40-29-34-14-5-6-15-37(34)38-16-7-8-17-39(38)40/h2-29H,1H3
InChIKeyLSNZOGQVVLLLDL-UHFFFAOYSA-N
MW601.75 g/mol
LogP13.00
Rot. Bonds5

About 9-methyl-N-(4-phenanthren-9-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-1-amine

9-methyl-N-(4-phenanthren-9-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-1-amine (PubChem CID 176757417) has the molecular formula C45H31NO and a molecular weight of 601.75 g/mol. Its IUPAC name is 9-methyl-N-(4-phenanthren-9-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-1-amine.

Molecular Properties

Compound Name9-methyl-N-(4-phenanthren-9-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-1-amine
PubChem CID176757417
Molecular FormulaC45H31NO
Molecular Weight601.75 g/mol
Exact Mass601.24
IUPAC Name9-methyl-N-(4-phenanthren-9-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-1-amine
SMILESCc1cccc2oc3cccc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5cc6ccccc6c6ccccc56)cc4)c3c12
InChIInChI=1S/C45H31NO/c1-30-11-9-19-42-44(30)45-41(18-10-20-43(45)47-42)46(35-25-21-32(22-26-35)31-12-3-2-4-13-31)36-27-23-33(24-28-36)40-29-34-14-5-6-15-37(34)38-16-7-8-17-39(38)40/h2-29H,1H3
InChIKeyLSNZOGQVVLLLDL-UHFFFAOYSA-N
XLogP13.00
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500601.75
LogP ≤ 513.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 9-methyl-N-(4-phenanthren-9-ylphenyl)-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

N-(4-phenanthren-9-ylphenyl)-N-(3-phenylphenyl)dibenzofuran-1-amine
CID 163411525
N-(4-phenanthren-9-ylphenyl)-6-phenyl-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 167397469
N-[4-(2-phenanthren-9-ylphenyl)phenyl]-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-amine
CID 169007542
N-naphthalen-2-yl-5-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-11-amine
CID 170301658
N-(4-dibenzofuran-1-ylphenyl)-3-phenanthren-9-yl-N,2-bis(4-phenylphenyl)aniline
CID 177274685
N-(4-phenanthren-9-ylphenyl)-6-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine
CID 130289864
N-[4-(3-naphtho[2,1-b][1]benzofuran-2-ylphenyl)phenyl]-N-(4-phenanthren-9-ylphenyl)-2-phenylaniline
CID 170127479
N-(3,5-diphenylphenyl)-N-(4-phenanthren-9-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171738007
N-[4-(3-methyldibenzofuran-1-yl)phenyl]-N-(4-phenanthren-9-ylphenyl)-4-phenylaniline
CID 176757216
N-(4-dibenzofuran-2-ylphenyl)-2-phenanthren-9-yl-3-phenyl-N-(4-phenylphenyl)aniline
CID 177274561
N-(4-dibenzofuran-3-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-6-phenyldibenzofuran-4-amine
CID 167397171
N-(4-phenanthren-9-yl-2-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 154950525

Frequently Asked Questions

What is the IUPAC name of 9-methyl-N-(4-phenanthren-9-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-1-amine?
The IUPAC name of 9-methyl-N-(4-phenanthren-9-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-1-amine (CID 176757417) is 9-methyl-N-(4-phenanthren-9-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-1-amine.
What is the SMILES notation for 9-methyl-N-(4-phenanthren-9-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-1-amine?
The canonical SMILES for 9-methyl-N-(4-phenanthren-9-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-1-amine is Cc1cccc2oc3cccc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5cc6ccccc6c6ccccc56)cc4)c3c12.
What is the InChIKey of 9-methyl-N-(4-phenanthren-9-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-1-amine?
The InChIKey is LSNZOGQVVLLLDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H31NO/c1-30-11-9-19-42-44(30)45-41(18-10-20-43(45)47-42)46(35-25-21-32(22-26-35)31-12-3-2-4-13-31)36-27-23-33(24-28-36)40-29-34-14-5-6-15-37(34)38-16-7-8-17-39(38)40/h2-29H,1H3.
What are the key properties of 9-methyl-N-(4-phenanthren-9-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-1-amine?
9-methyl-N-(4-phenanthren-9-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-1-amine has a molecular weight of 601.75 g/mol, XLogP of 13.00, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-N-(4-phenanthren-9-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-1-amine is sourced from PubChem (CID 176757417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).