5-[6-bis(2-phenylphenyl)phosphoryl-3-pyridinyl]-1,10-phenanthroline

C41H28N3OP — CID 131997652

IUPAC5-[6-bis(2-phenylphenyl)phosphoryl-3-pyridinyl]-1,10-phenanthroline
SMILESO=P(c1ccc(-c2cc3cccnc3c3ncccc23)cn1)(c1ccccc1-c1ccccc1)c1ccccc1-c1ccccc1
InChIInChI=1S/C41H28N3OP/c45-46(37-21-9-7-18-33(37)29-13-3-1-4-14-29,38-22-10-8-19-34(38)30-15-5-2-6-16-30)39-24-23-32(28-44-39)36-27-31-17-11-25-42-40(31)41-35(36)20-12-26-43-41/h1-28H
InChIKeyOEMRGRFYVKGBEZ-UHFFFAOYSA-N
MW609.67 g/mol
LogP8.82
Rot. Bonds6

About 5-[6-bis(2-phenylphenyl)phosphoryl-3-pyridinyl]-1,10-phenanthroline

5-[6-bis(2-phenylphenyl)phosphoryl-3-pyridinyl]-1,10-phenanthroline (PubChem CID 131997652) has the molecular formula C41H28N3OP and a molecular weight of 609.67 g/mol. Its IUPAC name is 5-[6-bis(2-phenylphenyl)phosphoryl-3-pyridinyl]-1,10-phenanthroline.

Molecular Properties

Compound Name5-[6-bis(2-phenylphenyl)phosphoryl-3-pyridinyl]-1,10-phenanthroline
PubChem CID131997652
Molecular FormulaC41H28N3OP
Molecular Weight609.67 g/mol
Exact Mass609.20
IUPAC Name5-[6-bis(2-phenylphenyl)phosphoryl-3-pyridinyl]-1,10-phenanthroline
SMILESO=P(c1ccc(-c2cc3cccnc3c3ncccc23)cn1)(c1ccccc1-c1ccccc1)c1ccccc1-c1ccccc1
InChIInChI=1S/C41H28N3OP/c45-46(37-21-9-7-18-33(37)29-13-3-1-4-14-29,38-22-10-8-19-34(38)30-15-5-2-6-16-30)39-24-23-32(28-44-39)36-27-31-17-11-25-42-40(31)41-35(36)20-12-26-43-41/h1-28H
InChIKeyOEMRGRFYVKGBEZ-UHFFFAOYSA-N
XLogP8.82
TPSA55.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500609.67
LogP ≤ 58.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-[6-bis(2-phenylphenyl)phosphoryl-3-pyridinyl]-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

5-[4-[3,5-bis[4-(1,10-phenanthrolin-5-yl)phenyl]phenyl]phenyl]-1,10-phenanthroline
CID 121460993
5-[3-[4,6-bis[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,3,5-triazin-2-yl]-5-(1,10-phenanthrolin-5-yl)phenyl]-1,10-phenanthroline
CID 153466323
5-[bis(1,10-phenanthrolin-5-yl)phosphoryl]-1,10-phenanthroline
CID 88535892
5-[4-[7-[2-(4-phenylphenyl)quinolin-7-yl]quinolin-2-yl]phenyl]-1,10-phenanthroline
CID 164780633
10-phenyl-5-(10-phenylbenzo[h]quinolin-5-yl)benzo[h]quinoline
CID 20606784
3-(4,6-diphenyl-2-pyridinyl)-8-(4-phenylphenyl)quinolino[7,8-h]quinoline
CID 155765276
6-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]benzo[h]quinoline
CID 148799721
5-[2-(4-naphthalen-1-ylphenyl)-6-(4-pyridin-3-ylnaphthalen-1-yl)pyrimidin-4-yl]-1,10-phenanthroline
CID 162774161
2-dinaphthalen-1-ylphosphorylpyridine
CID 4586108
5-[4-[7-(2-phenylquinolin-6-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline
CID 155023236
2-phenyl-4-[4-(2-phenyl-1,10-phenanthrolin-4-yl)phenyl]-1,10-phenanthroline
CID 155006745
6-phenyl-2-(4-pyren-1-ylphenyl)-1,10-phenanthroline
CID 118861981

Frequently Asked Questions

What is the IUPAC name of 5-[6-bis(2-phenylphenyl)phosphoryl-3-pyridinyl]-1,10-phenanthroline?
The IUPAC name of 5-[6-bis(2-phenylphenyl)phosphoryl-3-pyridinyl]-1,10-phenanthroline (CID 131997652) is 5-[6-bis(2-phenylphenyl)phosphoryl-3-pyridinyl]-1,10-phenanthroline.
What is the SMILES notation for 5-[6-bis(2-phenylphenyl)phosphoryl-3-pyridinyl]-1,10-phenanthroline?
The canonical SMILES for 5-[6-bis(2-phenylphenyl)phosphoryl-3-pyridinyl]-1,10-phenanthroline is O=P(c1ccc(-c2cc3cccnc3c3ncccc23)cn1)(c1ccccc1-c1ccccc1)c1ccccc1-c1ccccc1.
What is the InChIKey of 5-[6-bis(2-phenylphenyl)phosphoryl-3-pyridinyl]-1,10-phenanthroline?
The InChIKey is OEMRGRFYVKGBEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H28N3OP/c45-46(37-21-9-7-18-33(37)29-13-3-1-4-14-29,38-22-10-8-19-34(38)30-15-5-2-6-16-30)39-24-23-32(28-44-39)36-27-31-17-11-25-42-40(31)41-35(36)20-12-26-43-41/h1-28H.
What are the key properties of 5-[6-bis(2-phenylphenyl)phosphoryl-3-pyridinyl]-1,10-phenanthroline?
5-[6-bis(2-phenylphenyl)phosphoryl-3-pyridinyl]-1,10-phenanthroline has a molecular weight of 609.67 g/mol, XLogP of 8.82, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-bis(2-phenylphenyl)phosphoryl-3-pyridinyl]-1,10-phenanthroline is sourced from PubChem (CID 131997652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).