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

C51H36N3OP — CID 58251122

IUPAC2-[bis[6-(3-phenylphenyl)-2-pyridinyl]phosphoryl]-6-(3-phenylphenyl)pyridine
SMILESO=P(c1cccc(-c2cccc(-c3ccccc3)c2)n1)(c1cccc(-c2cccc(-c3ccccc3)c2)n1)c1cccc(-c2cccc(-c3ccccc3)c2)n1
InChIInChI=1S/C51H36N3OP/c55-56(49-31-13-28-46(52-49)43-25-10-22-40(34-43)37-16-4-1-5-17-37,50-32-14-29-47(53-50)44-26-11-23-41(35-44)38-18-6-2-7-19-38)51-33-15-30-48(54-51)45-27-12-24-42(36-45)39-20-8-3-9-21-39/h1-36H
InChIKeyDSNKIMXHXWSYKI-UHFFFAOYSA-N
MW737.84 g/mol
LogP11.51
Rot. Bonds9

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

2-[bis[6-(3-phenylphenyl)-2-pyridinyl]phosphoryl]-6-(3-phenylphenyl)pyridine (PubChem CID 58251122) has the molecular formula C51H36N3OP and a molecular weight of 737.84 g/mol. Its IUPAC name is 2-[bis[6-(3-phenylphenyl)-2-pyridinyl]phosphoryl]-6-(3-phenylphenyl)pyridine.

Molecular Properties

Compound Name2-[bis[6-(3-phenylphenyl)-2-pyridinyl]phosphoryl]-6-(3-phenylphenyl)pyridine
PubChem CID58251122
Molecular FormulaC51H36N3OP
Molecular Weight737.84 g/mol
Exact Mass737.26
IUPAC Name2-[bis[6-(3-phenylphenyl)-2-pyridinyl]phosphoryl]-6-(3-phenylphenyl)pyridine
SMILESO=P(c1cccc(-c2cccc(-c3ccccc3)c2)n1)(c1cccc(-c2cccc(-c3ccccc3)c2)n1)c1cccc(-c2cccc(-c3ccccc3)c2)n1
InChIInChI=1S/C51H36N3OP/c55-56(49-31-13-28-46(52-49)43-25-10-22-40(34-43)37-16-4-1-5-17-37,50-32-14-29-47(53-50)44-26-11-23-41(35-44)38-18-6-2-7-19-38)51-33-15-30-48(54-51)45-27-12-24-42(36-45)39-20-8-3-9-21-39/h1-36H
InChIKeyDSNKIMXHXWSYKI-UHFFFAOYSA-N
XLogP11.51
TPSA55.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500737.84
LogP ≤ 511.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-Methyl-4-[4-(1-methyl-2,6-diphenylpyridin-1-ium-4-yl)butyl]-2,6-diphenylpyridin-1-ium
CID 2306810
8-Diphenylphosphoryl-2-naphthalen-1-yl-4-phenylquinoline
CID 145967456
8-Diphenylphosphoryl-4-(4-methylphenyl)-2-phenylquinoline
CID 145972152
8-Diphenylphosphoryl-2,4-bis(4-fluorophenyl)quinoline
CID 145973785
8-Diphenylphosphoryl-2,4-diphenylquinoline
CID 145977441
8-Diphenylphosphoryl-2-(4-fluorophenyl)-4-phenylquinoline
CID 145978485
2-(3,4-Difluorophenyl)-8-diphenylphosphoryl-4-(4-fluorophenyl)quinoline
CID 155518845
8-Diphenylphosphoryl-4-(4-fluorophenyl)-2-phenylquinoline
CID 155536046
8-Diphenylphosphoryl-2-naphthalen-2-yl-4-phenylquinoline
CID 155556923
1-Methyl-4-[4-(1-methyl-2,6-diphenylpyridin-1-ium-4-yl)butyl]-2,6-diphenylpyridin-1-ium perchlorate
CID 16196006
4,4'-Methanediylbis(2,6-diphenylpyridine)
CID 1888328
(2,4-Diphenylquinolin-8-yl)-diphenyl-sulfanylidene-lambda5-phosphane
CID 132574437

Frequently Asked Questions

What is the IUPAC name of 2-[bis[6-(3-phenylphenyl)-2-pyridinyl]phosphoryl]-6-(3-phenylphenyl)pyridine?
The IUPAC name of 2-[bis[6-(3-phenylphenyl)-2-pyridinyl]phosphoryl]-6-(3-phenylphenyl)pyridine (CID 58251122) is 2-[bis[6-(3-phenylphenyl)-2-pyridinyl]phosphoryl]-6-(3-phenylphenyl)pyridine.
What is the SMILES notation for 2-[bis[6-(3-phenylphenyl)-2-pyridinyl]phosphoryl]-6-(3-phenylphenyl)pyridine?
The canonical SMILES for 2-[bis[6-(3-phenylphenyl)-2-pyridinyl]phosphoryl]-6-(3-phenylphenyl)pyridine is O=P(c1cccc(-c2cccc(-c3ccccc3)c2)n1)(c1cccc(-c2cccc(-c3ccccc3)c2)n1)c1cccc(-c2cccc(-c3ccccc3)c2)n1.
What is the InChIKey of 2-[bis[6-(3-phenylphenyl)-2-pyridinyl]phosphoryl]-6-(3-phenylphenyl)pyridine?
The InChIKey is DSNKIMXHXWSYKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H36N3OP/c55-56(49-31-13-28-46(52-49)43-25-10-22-40(34-43)37-16-4-1-5-17-37,50-32-14-29-47(53-50)44-26-11-23-41(35-44)38-18-6-2-7-19-38)51-33-15-30-48(54-51)45-27-12-24-42(36-45)39-20-8-3-9-21-39/h1-36H.
What are the key properties of 2-[bis[6-(3-phenylphenyl)-2-pyridinyl]phosphoryl]-6-(3-phenylphenyl)pyridine?
2-[bis[6-(3-phenylphenyl)-2-pyridinyl]phosphoryl]-6-(3-phenylphenyl)pyridine has a molecular weight of 737.84 g/mol, XLogP of 11.51, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis[6-(3-phenylphenyl)-2-pyridinyl]phosphoryl]-6-(3-phenylphenyl)pyridine is sourced from PubChem (CID 58251122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).