2-bis(3-phenylphenyl)phosphoryl-6-[6-[[(2E,4E)-5-phenylhexa-2,4-dien-3-yl]-(3-phenylphenyl)phosphoryl]-2-pyridinyl]pyridine

C58H46N2O2P2 — CID 146477878

IUPAC2-bis(3-phenylphenyl)phosphoryl-6-[6-[[(2E,4E)-5-phenylhexa-2,4-dien-3-yl]-(3-phenylphenyl)phosphoryl]-2-pyridinyl]pyridine
SMILESC/C=C(\C=C(/C)c1ccccc1)P(=O)(c1cccc(-c2ccccc2)c1)c1cccc(-c2cccc(P(=O)(c3cccc(-c4ccccc4)c3)c3cccc(-c4ccccc4)c3)n2)n1
InChIInChI=1S/C58H46N2O2P2/c1-3-51(39-43(2)44-21-8-4-9-22-44)63(61,52-32-16-29-48(40-52)45-23-10-5-11-24-45)57-37-19-35-55(59-57)56-36-20-38-58(60-56)64(62,53-33-17-30-49(41-53)46-25-12-6-13-26-46)54-34-18-31-50(42-54)47-27-14-7-15-28-47/h3-42H,1-2H3/b43-39+,51-3+
InChIKeyVENFPMGVOCLDGR-UKNZXDSQSA-N
MW864.97 g/mol
LogP13.11
Rot. Bonds12

About 2-bis(3-phenylphenyl)phosphoryl-6-[6-[[(2E,4E)-5-phenylhexa-2,4-dien-3-yl]-(3-phenylphenyl)phosphoryl]-2-pyridinyl]pyridine

2-bis(3-phenylphenyl)phosphoryl-6-[6-[[(2E,4E)-5-phenylhexa-2,4-dien-3-yl]-(3-phenylphenyl)phosphoryl]-2-pyridinyl]pyridine (PubChem CID 146477878) has the molecular formula C58H46N2O2P2 and a molecular weight of 864.97 g/mol. Its IUPAC name is 2-bis(3-phenylphenyl)phosphoryl-6-[6-[[(2E,4E)-5-phenylhexa-2,4-dien-3-yl]-(3-phenylphenyl)phosphoryl]-2-pyridinyl]pyridine.

Molecular Properties

Compound Name2-bis(3-phenylphenyl)phosphoryl-6-[6-[[(2E,4E)-5-phenylhexa-2,4-dien-3-yl]-(3-phenylphenyl)phosphoryl]-2-pyridinyl]pyridine
PubChem CID146477878
Molecular FormulaC58H46N2O2P2
Molecular Weight864.97 g/mol
Exact Mass864.30
IUPAC Name2-bis(3-phenylphenyl)phosphoryl-6-[6-[[(2E,4E)-5-phenylhexa-2,4-dien-3-yl]-(3-phenylphenyl)phosphoryl]-2-pyridinyl]pyridine
SMILESC/C=C(\C=C(/C)c1ccccc1)P(=O)(c1cccc(-c2ccccc2)c1)c1cccc(-c2cccc(P(=O)(c3cccc(-c4ccccc4)c3)c3cccc(-c4ccccc4)c3)n2)n1
InChIInChI=1S/C58H46N2O2P2/c1-3-51(39-43(2)44-21-8-4-9-22-44)63(61,52-32-16-29-48(40-52)45-23-10-5-11-24-45)57-37-19-35-55(59-57)56-36-20-38-58(60-56)64(62,53-33-17-30-49(41-53)46-25-12-6-13-26-46)54-34-18-31-50(42-54)47-27-14-7-15-28-47/h3-42H,1-2H3/b43-39+,51-3+
InChIKeyVENFPMGVOCLDGR-UKNZXDSQSA-N
XLogP13.11
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500864.97
LogP ≤ 513.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-bis(3-phenylphenyl)phosphoryl-6-[6-[[(2E,4E)-5-phenylhexa-2,4-dien-3-yl]-(3-phenylphenyl)phosphoryl]-2-pyridinyl]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-bis(3-phenylphenyl)phosphoryl-6-[6-[[(2E,4E)-5-phenylhexa-2,4-dien-3-yl]-(3-phenylphenyl)phosphoryl]-2-pyridinyl]pyridine?
The IUPAC name of 2-bis(3-phenylphenyl)phosphoryl-6-[6-[[(2E,4E)-5-phenylhexa-2,4-dien-3-yl]-(3-phenylphenyl)phosphoryl]-2-pyridinyl]pyridine (CID 146477878) is 2-bis(3-phenylphenyl)phosphoryl-6-[6-[[(2E,4E)-5-phenylhexa-2,4-dien-3-yl]-(3-phenylphenyl)phosphoryl]-2-pyridinyl]pyridine.
What is the SMILES notation for 2-bis(3-phenylphenyl)phosphoryl-6-[6-[[(2E,4E)-5-phenylhexa-2,4-dien-3-yl]-(3-phenylphenyl)phosphoryl]-2-pyridinyl]pyridine?
The canonical SMILES for 2-bis(3-phenylphenyl)phosphoryl-6-[6-[[(2E,4E)-5-phenylhexa-2,4-dien-3-yl]-(3-phenylphenyl)phosphoryl]-2-pyridinyl]pyridine is C/C=C(\C=C(/C)c1ccccc1)P(=O)(c1cccc(-c2ccccc2)c1)c1cccc(-c2cccc(P(=O)(c3cccc(-c4ccccc4)c3)c3cccc(-c4ccccc4)c3)n2)n1.
What is the InChIKey of 2-bis(3-phenylphenyl)phosphoryl-6-[6-[[(2E,4E)-5-phenylhexa-2,4-dien-3-yl]-(3-phenylphenyl)phosphoryl]-2-pyridinyl]pyridine?
The InChIKey is VENFPMGVOCLDGR-UKNZXDSQSA-N. The full InChI is InChI=1S/C58H46N2O2P2/c1-3-51(39-43(2)44-21-8-4-9-22-44)63(61,52-32-16-29-48(40-52)45-23-10-5-11-24-45)57-37-19-35-55(59-57)56-36-20-38-58(60-56)64(62,53-33-17-30-49(41-53)46-25-12-6-13-26-46)54-34-18-31-50(42-54)47-27-14-7-15-28-47/h3-42H,1-2H3/b43-39+,51-3+.
What are the key properties of 2-bis(3-phenylphenyl)phosphoryl-6-[6-[[(2E,4E)-5-phenylhexa-2,4-dien-3-yl]-(3-phenylphenyl)phosphoryl]-2-pyridinyl]pyridine?
2-bis(3-phenylphenyl)phosphoryl-6-[6-[[(2E,4E)-5-phenylhexa-2,4-dien-3-yl]-(3-phenylphenyl)phosphoryl]-2-pyridinyl]pyridine has a molecular weight of 864.97 g/mol, XLogP of 13.11, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bis(3-phenylphenyl)phosphoryl-6-[6-[[(2E,4E)-5-phenylhexa-2,4-dien-3-yl]-(3-phenylphenyl)phosphoryl]-2-pyridinyl]pyridine is sourced from PubChem (CID 146477878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).