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'}

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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).