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

C58H42N2O2P2 — CID 58251129

IUPAC2-bis(3-phenylphenyl)phosphoryl-6-[6-bis(3-phenylphenyl)phosphoryl-2-pyridinyl]pyridine
SMILESO=P(c1cccc(-c2ccccc2)c1)(c1cccc(-c2ccccc2)c1)c1cccc(-c2cccc(P(=O)(c3cccc(-c4ccccc4)c3)c3cccc(-c4ccccc4)c3)n2)n1
InChIInChI=1S/C58H42N2O2P2/c61-63(51-31-13-27-47(39-51)43-19-5-1-6-20-43,52-32-14-28-48(40-52)44-21-7-2-8-22-44)57-37-17-35-55(59-57)56-36-18-38-58(60-56)64(62,53-33-15-29-49(41-53)45-23-9-3-10-24-45)54-34-16-30-50(42-54)46-25-11-4-12-26-46/h1-42H
InChIKeyAZUSIPLSHLVYLL-UHFFFAOYSA-N
MW860.93 g/mol
LogP12.09
Rot. Bonds11

About 2-bis(3-phenylphenyl)phosphoryl-6-[6-bis(3-phenylphenyl)phosphoryl-2-pyridinyl]pyridine

2-bis(3-phenylphenyl)phosphoryl-6-[6-bis(3-phenylphenyl)phosphoryl-2-pyridinyl]pyridine (PubChem CID 58251129) has the molecular formula C58H42N2O2P2 and a molecular weight of 860.93 g/mol. Its IUPAC name is 2-bis(3-phenylphenyl)phosphoryl-6-[6-bis(3-phenylphenyl)phosphoryl-2-pyridinyl]pyridine.

Molecular Properties

Compound Name2-bis(3-phenylphenyl)phosphoryl-6-[6-bis(3-phenylphenyl)phosphoryl-2-pyridinyl]pyridine
PubChem CID58251129
Molecular FormulaC58H42N2O2P2
Molecular Weight860.93 g/mol
Exact Mass860.27
IUPAC Name2-bis(3-phenylphenyl)phosphoryl-6-[6-bis(3-phenylphenyl)phosphoryl-2-pyridinyl]pyridine
SMILESO=P(c1cccc(-c2ccccc2)c1)(c1cccc(-c2ccccc2)c1)c1cccc(-c2cccc(P(=O)(c3cccc(-c4ccccc4)c3)c3cccc(-c4ccccc4)c3)n2)n1
InChIInChI=1S/C58H42N2O2P2/c61-63(51-31-13-27-47(39-51)43-19-5-1-6-20-43,52-32-14-28-48(40-52)44-21-7-2-8-22-44)57-37-17-35-55(59-57)56-36-18-38-58(60-56)64(62,53-33-15-29-49(41-53)45-23-9-3-10-24-45)54-34-16-30-50(42-54)46-25-11-4-12-26-46/h1-42H
InChIKeyAZUSIPLSHLVYLL-UHFFFAOYSA-N
XLogP12.09
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500860.93
LogP ≤ 512.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-bis(3-phenylphenyl)phosphoryl-6-[6-bis(3-phenylphenyl)phosphoryl-2-pyridinyl]pyridine?
The IUPAC name of 2-bis(3-phenylphenyl)phosphoryl-6-[6-bis(3-phenylphenyl)phosphoryl-2-pyridinyl]pyridine (CID 58251129) is 2-bis(3-phenylphenyl)phosphoryl-6-[6-bis(3-phenylphenyl)phosphoryl-2-pyridinyl]pyridine.
What is the SMILES notation for 2-bis(3-phenylphenyl)phosphoryl-6-[6-bis(3-phenylphenyl)phosphoryl-2-pyridinyl]pyridine?
The canonical SMILES for 2-bis(3-phenylphenyl)phosphoryl-6-[6-bis(3-phenylphenyl)phosphoryl-2-pyridinyl]pyridine is O=P(c1cccc(-c2ccccc2)c1)(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-bis(3-phenylphenyl)phosphoryl-2-pyridinyl]pyridine?
The InChIKey is AZUSIPLSHLVYLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H42N2O2P2/c61-63(51-31-13-27-47(39-51)43-19-5-1-6-20-43,52-32-14-28-48(40-52)44-21-7-2-8-22-44)57-37-17-35-55(59-57)56-36-18-38-58(60-56)64(62,53-33-15-29-49(41-53)45-23-9-3-10-24-45)54-34-16-30-50(42-54)46-25-11-4-12-26-46/h1-42H.
What are the key properties of 2-bis(3-phenylphenyl)phosphoryl-6-[6-bis(3-phenylphenyl)phosphoryl-2-pyridinyl]pyridine?
2-bis(3-phenylphenyl)phosphoryl-6-[6-bis(3-phenylphenyl)phosphoryl-2-pyridinyl]pyridine has a molecular weight of 860.93 g/mol, XLogP of 12.09, 11 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-bis(3-phenylphenyl)phosphoryl-2-pyridinyl]pyridine is sourced from PubChem (CID 58251129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).