2-(4-diphenylphosphorylphenyl)-9-naphthalen-2-yl-1,10-phenanthroline

C40H27N2OP — CID 134470905

IUPAC2-(4-diphenylphosphorylphenyl)-9-naphthalen-2-yl-1,10-phenanthroline
SMILESO=P(c1ccccc1)(c1ccccc1)c1ccc(-c2ccc3ccc4ccc(-c5ccc6ccccc6c5)nc4c3n2)cc1
InChIInChI=1S/C40H27N2OP/c43-44(34-11-3-1-4-12-34,35-13-5-2-6-14-35)36-23-19-29(20-24-36)37-25-21-30-16-17-31-22-26-38(42-40(31)39(30)41-37)33-18-15-28-9-7-8-10-32(28)27-33/h1-27H
InChIKeyXYYSDNHCFJXLSW-UHFFFAOYSA-N
MW582.64 g/mol
LogP8.91
Rot. Bonds5

About 2-(4-diphenylphosphorylphenyl)-9-naphthalen-2-yl-1,10-phenanthroline

2-(4-diphenylphosphorylphenyl)-9-naphthalen-2-yl-1,10-phenanthroline (PubChem CID 134470905) has the molecular formula C40H27N2OP and a molecular weight of 582.64 g/mol. Its IUPAC name is 2-(4-diphenylphosphorylphenyl)-9-naphthalen-2-yl-1,10-phenanthroline.

Molecular Properties

Compound Name2-(4-diphenylphosphorylphenyl)-9-naphthalen-2-yl-1,10-phenanthroline
PubChem CID134470905
Molecular FormulaC40H27N2OP
Molecular Weight582.64 g/mol
Exact Mass582.19
IUPAC Name2-(4-diphenylphosphorylphenyl)-9-naphthalen-2-yl-1,10-phenanthroline
SMILESO=P(c1ccccc1)(c1ccccc1)c1ccc(-c2ccc3ccc4ccc(-c5ccc6ccccc6c5)nc4c3n2)cc1
InChIInChI=1S/C40H27N2OP/c43-44(34-11-3-1-4-12-34,35-13-5-2-6-14-35)36-23-19-29(20-24-36)37-25-21-30-16-17-31-22-26-38(42-40(31)39(30)41-37)33-18-15-28-9-7-8-10-32(28)27-33/h1-27H
InChIKeyXYYSDNHCFJXLSW-UHFFFAOYSA-N
XLogP8.91
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500582.64
LogP ≤ 58.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(4-diphenylphosphorylphenyl)-9-naphthalen-2-yl-1,10-phenanthroline 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

16-(4-diphenylphosphorylphenyl)-6-naphthalen-2-yl-2,5,15-triazapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),2,4(9),5,7,10,12,15,17,19,21-undecaene
CID 163807494
2-[7-(4-diphenylphosphorylphenyl)phenanthren-2-yl]-1,10-phenanthroline
CID 134470932
2-naphthalen-2-yl-9-[3-(9-naphthalen-2-yl-1,10-phenanthrolin-2-yl)phenyl]-1,10-phenanthroline
CID 59010381
2-naphthalen-2-yl-9-[3-[3-(9-naphthalen-2-yl-1,10-phenanthrolin-2-yl)phenyl]phenyl]-1,10-phenanthroline
CID 59010493
2-(6-diphenylphosphoryl-9,10-diphenylanthracen-2-yl)-1,10-phenanthroline
CID 134470904
2-(4-methylphenyl)-9-[3-[9-(4-methylphenyl)-1,10-phenanthrolin-2-yl]phenyl]-1,10-phenanthroline;2-naphthalen-2-yl-9-[3-(9-naphthalen-2-yl-1,10-phenanthrolin-2-yl)phenyl]-1,10-phenanthroline;2-naphthalen-2-yl-9-[3-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-1,10-phenanthroline;2-phenyl-9-[3-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-1,10-phenanthroline
CID 165103178
2-[4-[6-(4-diphenylphosphorylphenyl)naphthalen-2-yl]phenyl]-4,6-diphenylpyrimidine
CID 155273418
(4-benzo[h]quinolin-2-ylphenyl)-naphthalen-2-yl-phenyl-selanylidene-λ5-phosphane
CID 164986129
2-[[4-(4-dinaphthalen-2-ylphosphorylphenyl)phenyl]-naphthalen-2-ylphosphoryl]naphthalene
CID 58982866
2-(7-diphenylphosphoryl-9,9-dimethylfluoren-2-yl)-1,10-phenanthroline
CID 134470948
bis(2-(4-diphenylphosphorylphenyl)-9-naphthalen-2-yl-1,10-phenanthroline);2-[7-(4-diphenylphosphorylphenyl)phenanthren-2-yl]-1,10-phenanthroline;2-[4-[6-(4-diphenylphosphorylphenyl)pyren-1-yl]phenyl]-1,10-phenanthroline;2-[4-(6-diphenylphosphorylpyren-1-yl)naphthalen-1-yl]-1,10-phenanthroline;2-[4-(6-diphenylphosphorylpyren-1-yl)phenyl]-1,10-phenanthroline
CID 157104263
2-(4-diphenylphosphorylphenyl)-9-naphthalen-2-yl-1,10-phenanthroline;2-[7-(4-diphenylphosphorylphenyl)phenanthren-2-yl]-1,10-phenanthroline;2-[4-[6-(4-diphenylphosphorylphenyl)pyren-1-yl]phenyl]-1,10-phenanthroline;2-[4-(6-diphenylphosphorylpyren-1-yl)naphthalen-1-yl]-1,10-phenanthroline;2-[4-(6-diphenylphosphorylpyren-1-yl)phenyl]-1,10-phenanthroline
CID 159478084

Frequently Asked Questions

What is the IUPAC name of 2-(4-diphenylphosphorylphenyl)-9-naphthalen-2-yl-1,10-phenanthroline?
The IUPAC name of 2-(4-diphenylphosphorylphenyl)-9-naphthalen-2-yl-1,10-phenanthroline (CID 134470905) is 2-(4-diphenylphosphorylphenyl)-9-naphthalen-2-yl-1,10-phenanthroline.
What is the SMILES notation for 2-(4-diphenylphosphorylphenyl)-9-naphthalen-2-yl-1,10-phenanthroline?
The canonical SMILES for 2-(4-diphenylphosphorylphenyl)-9-naphthalen-2-yl-1,10-phenanthroline is O=P(c1ccccc1)(c1ccccc1)c1ccc(-c2ccc3ccc4ccc(-c5ccc6ccccc6c5)nc4c3n2)cc1.
What is the InChIKey of 2-(4-diphenylphosphorylphenyl)-9-naphthalen-2-yl-1,10-phenanthroline?
The InChIKey is XYYSDNHCFJXLSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H27N2OP/c43-44(34-11-3-1-4-12-34,35-13-5-2-6-14-35)36-23-19-29(20-24-36)37-25-21-30-16-17-31-22-26-38(42-40(31)39(30)41-37)33-18-15-28-9-7-8-10-32(28)27-33/h1-27H.
What are the key properties of 2-(4-diphenylphosphorylphenyl)-9-naphthalen-2-yl-1,10-phenanthroline?
2-(4-diphenylphosphorylphenyl)-9-naphthalen-2-yl-1,10-phenanthroline has a molecular weight of 582.64 g/mol, XLogP of 8.91, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-diphenylphosphorylphenyl)-9-naphthalen-2-yl-1,10-phenanthroline is sourced from PubChem (CID 134470905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).