4-naphthalen-2-yl-N-(4-phenanthren-9-ylphenyl)-N-[2-(2-phenylphenyl)phenyl]dibenzofuran-1-amine

C60H39NO — CID 177069864

IUPAC4-naphthalen-2-yl-N-(4-phenanthren-9-ylphenyl)-N-[2-(2-phenylphenyl)phenyl]dibenzofuran-1-amine
SMILESc1ccc(-c2ccccc2-c2ccccc2N(c2ccc(-c3cc4ccccc4c4ccccc34)cc2)c2ccc(-c3ccc4ccccc4c3)c3oc4ccccc4c23)cc1
InChIInChI=1S/C60H39NO/c1-2-17-41(18-3-1)47-21-8-9-24-51(47)53-26-12-14-28-56(53)61(46-34-32-42(33-35-46)55-39-44-20-6-7-22-48(44)50-23-10-11-25-52(50)55)57-37-36-49(45-31-30-40-16-4-5-19-43(40)38-45)60-59(57)54-27-13-15-29-58(54)62-60/h1-39H
InChIKeyOZJDTJPUKVABMR-UHFFFAOYSA-N
MW789.98 g/mol
LogP17.18
Rot. Bonds7

About 4-naphthalen-2-yl-N-(4-phenanthren-9-ylphenyl)-N-[2-(2-phenylphenyl)phenyl]dibenzofuran-1-amine

4-naphthalen-2-yl-N-(4-phenanthren-9-ylphenyl)-N-[2-(2-phenylphenyl)phenyl]dibenzofuran-1-amine (PubChem CID 177069864) has the molecular formula C60H39NO and a molecular weight of 789.98 g/mol. Its IUPAC name is 4-naphthalen-2-yl-N-(4-phenanthren-9-ylphenyl)-N-[2-(2-phenylphenyl)phenyl]dibenzofuran-1-amine.

Molecular Properties

Compound Name4-naphthalen-2-yl-N-(4-phenanthren-9-ylphenyl)-N-[2-(2-phenylphenyl)phenyl]dibenzofuran-1-amine
PubChem CID177069864
Molecular FormulaC60H39NO
Molecular Weight789.98 g/mol
Exact Mass789.30
IUPAC Name4-naphthalen-2-yl-N-(4-phenanthren-9-ylphenyl)-N-[2-(2-phenylphenyl)phenyl]dibenzofuran-1-amine
SMILESc1ccc(-c2ccccc2-c2ccccc2N(c2ccc(-c3cc4ccccc4c4ccccc34)cc2)c2ccc(-c3ccc4ccccc4c3)c3oc4ccccc4c23)cc1
InChIInChI=1S/C60H39NO/c1-2-17-41(18-3-1)47-21-8-9-24-51(47)53-26-12-14-28-56(53)61(46-34-32-42(33-35-46)55-39-44-20-6-7-22-48(44)50-23-10-11-25-52(50)55)57-37-36-49(45-31-30-40-16-4-5-19-43(40)38-45)60-59(57)54-27-13-15-29-58(54)62-60/h1-39H
InChIKeyOZJDTJPUKVABMR-UHFFFAOYSA-N
XLogP17.18
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500789.98
LogP ≤ 517.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-naphthalen-2-yl-N-(4-phenanthren-9-ylphenyl)-N-[2-(2-phenylphenyl)phenyl]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

4-naphthalen-2-yl-N-(4-phenylphenyl)-N-[2-(2-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 177069663
4-naphthalen-2-yl-N-[2-(2-phenylphenyl)phenyl]-N-(3-triphenylen-2-ylphenyl)dibenzofuran-1-amine
CID 177069399
4-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)-N-[2-(3-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 177069341
N-(2-phenanthren-9-ylphenyl)-4-phenyl-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 177069853
4-naphthalen-2-yl-N-[3-(2-phenylphenyl)phenyl]-N-(2-triphenylen-2-ylphenyl)dibenzofuran-1-amine
CID 177069190
4-naphthalen-2-yl-N-[2-(3-phenylphenyl)phenyl]-N-(4-triphenylen-2-ylphenyl)dibenzofuran-1-amine
CID 177069453
4-naphthalen-2-yl-N-(3-naphthalen-2-ylphenyl)-N-[2-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 177069277
N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N-[4-[2-(2-naphthalen-2-ylphenyl)phenyl]phenyl]-4-phenyldibenzofuran-1-amine
CID 168847972
4-naphthalen-2-yl-N-phenyl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 177069342
N-(3-naphthalen-2-yl-4-phenylphenyl)-N-[2-(2-phenanthren-9-ylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 169007541
N-(4-naphthalen-2-ylphenyl)-N-[4-[2-(2-naphthalen-1-ylphenyl)phenyl]phenyl]-4-phenyldibenzofuran-1-amine
CID 168847874
N-phenanthren-2-yl-N-(2-phenylphenyl)-4-(4-phenylphenyl)dibenzofuran-1-amine
CID 176820810

Frequently Asked Questions

What is the IUPAC name of 4-naphthalen-2-yl-N-(4-phenanthren-9-ylphenyl)-N-[2-(2-phenylphenyl)phenyl]dibenzofuran-1-amine?
The IUPAC name of 4-naphthalen-2-yl-N-(4-phenanthren-9-ylphenyl)-N-[2-(2-phenylphenyl)phenyl]dibenzofuran-1-amine (CID 177069864) is 4-naphthalen-2-yl-N-(4-phenanthren-9-ylphenyl)-N-[2-(2-phenylphenyl)phenyl]dibenzofuran-1-amine.
What is the SMILES notation for 4-naphthalen-2-yl-N-(4-phenanthren-9-ylphenyl)-N-[2-(2-phenylphenyl)phenyl]dibenzofuran-1-amine?
The canonical SMILES for 4-naphthalen-2-yl-N-(4-phenanthren-9-ylphenyl)-N-[2-(2-phenylphenyl)phenyl]dibenzofuran-1-amine is c1ccc(-c2ccccc2-c2ccccc2N(c2ccc(-c3cc4ccccc4c4ccccc34)cc2)c2ccc(-c3ccc4ccccc4c3)c3oc4ccccc4c23)cc1.
What is the InChIKey of 4-naphthalen-2-yl-N-(4-phenanthren-9-ylphenyl)-N-[2-(2-phenylphenyl)phenyl]dibenzofuran-1-amine?
The InChIKey is OZJDTJPUKVABMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H39NO/c1-2-17-41(18-3-1)47-21-8-9-24-51(47)53-26-12-14-28-56(53)61(46-34-32-42(33-35-46)55-39-44-20-6-7-22-48(44)50-23-10-11-25-52(50)55)57-37-36-49(45-31-30-40-16-4-5-19-43(40)38-45)60-59(57)54-27-13-15-29-58(54)62-60/h1-39H.
What are the key properties of 4-naphthalen-2-yl-N-(4-phenanthren-9-ylphenyl)-N-[2-(2-phenylphenyl)phenyl]dibenzofuran-1-amine?
4-naphthalen-2-yl-N-(4-phenanthren-9-ylphenyl)-N-[2-(2-phenylphenyl)phenyl]dibenzofuran-1-amine has a molecular weight of 789.98 g/mol, XLogP of 17.18, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-naphthalen-2-yl-N-(4-phenanthren-9-ylphenyl)-N-[2-(2-phenylphenyl)phenyl]dibenzofuran-1-amine is sourced from PubChem (CID 177069864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).