2,6-bis[4-bis(3,5-difluorophenyl)phosphorylphenyl]-4-(4-phenylphenyl)pyridine

C53H31F8NO2P2 — CID 137366973

IUPAC2,6-bis[4-bis(3,5-difluorophenyl)phosphorylphenyl]-4-(4-phenylphenyl)pyridine
SMILESO=P(c1ccc(-c2cc(-c3ccc(-c4ccccc4)cc3)cc(-c3ccc(P(=O)(c4cc(F)cc(F)c4)c4cc(F)cc(F)c4)cc3)n2)cc1)(c1cc(F)cc(F)c1)c1cc(F)cc(F)c1
InChIInChI=1S/C53H31F8NO2P2/c54-38-20-39(55)25-48(24-38)65(63,49-26-40(56)21-41(57)27-49)46-14-10-35(11-15-46)52-18-37(34-8-6-33(7-9-34)32-4-2-1-3-5-32)19-53(62-52)36-12-16-47(17-13-36)66(64,50-28-42(58)22-43(59)29-50)51-30-44(60)23-45(61)31-51/h1-31H
InChIKeyRCVQYZBUBVABHV-UHFFFAOYSA-N
MW927.77 g/mol
LogP12.14
Rot. Bonds10

About 2,6-bis[4-bis(3,5-difluorophenyl)phosphorylphenyl]-4-(4-phenylphenyl)pyridine

2,6-bis[4-bis(3,5-difluorophenyl)phosphorylphenyl]-4-(4-phenylphenyl)pyridine (PubChem CID 137366973) has the molecular formula C53H31F8NO2P2 and a molecular weight of 927.77 g/mol. Its IUPAC name is 2,6-bis[4-bis(3,5-difluorophenyl)phosphorylphenyl]-4-(4-phenylphenyl)pyridine.

Molecular Properties

Compound Name2,6-bis[4-bis(3,5-difluorophenyl)phosphorylphenyl]-4-(4-phenylphenyl)pyridine
PubChem CID137366973
Molecular FormulaC53H31F8NO2P2
Molecular Weight927.77 g/mol
Exact Mass927.17
IUPAC Name2,6-bis[4-bis(3,5-difluorophenyl)phosphorylphenyl]-4-(4-phenylphenyl)pyridine
SMILESO=P(c1ccc(-c2cc(-c3ccc(-c4ccccc4)cc3)cc(-c3ccc(P(=O)(c4cc(F)cc(F)c4)c4cc(F)cc(F)c4)cc3)n2)cc1)(c1cc(F)cc(F)c1)c1cc(F)cc(F)c1
InChIInChI=1S/C53H31F8NO2P2/c54-38-20-39(55)25-48(24-38)65(63,49-26-40(56)21-41(57)27-49)46-14-10-35(11-15-46)52-18-37(34-8-6-33(7-9-34)32-4-2-1-3-5-32)19-53(62-52)36-12-16-47(17-13-36)66(64,50-28-42(58)22-43(59)29-50)51-30-44(60)23-45(61)31-51/h1-31H
InChIKeyRCVQYZBUBVABHV-UHFFFAOYSA-N
XLogP12.14
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500927.77
LogP ≤ 512.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,6-bis[4-bis(3,5-difluorophenyl)phosphorylphenyl]-4-(4-phenylphenyl)pyridine?
The IUPAC name of 2,6-bis[4-bis(3,5-difluorophenyl)phosphorylphenyl]-4-(4-phenylphenyl)pyridine (CID 137366973) is 2,6-bis[4-bis(3,5-difluorophenyl)phosphorylphenyl]-4-(4-phenylphenyl)pyridine.
What is the SMILES notation for 2,6-bis[4-bis(3,5-difluorophenyl)phosphorylphenyl]-4-(4-phenylphenyl)pyridine?
The canonical SMILES for 2,6-bis[4-bis(3,5-difluorophenyl)phosphorylphenyl]-4-(4-phenylphenyl)pyridine is O=P(c1ccc(-c2cc(-c3ccc(-c4ccccc4)cc3)cc(-c3ccc(P(=O)(c4cc(F)cc(F)c4)c4cc(F)cc(F)c4)cc3)n2)cc1)(c1cc(F)cc(F)c1)c1cc(F)cc(F)c1.
What is the InChIKey of 2,6-bis[4-bis(3,5-difluorophenyl)phosphorylphenyl]-4-(4-phenylphenyl)pyridine?
The InChIKey is RCVQYZBUBVABHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H31F8NO2P2/c54-38-20-39(55)25-48(24-38)65(63,49-26-40(56)21-41(57)27-49)46-14-10-35(11-15-46)52-18-37(34-8-6-33(7-9-34)32-4-2-1-3-5-32)19-53(62-52)36-12-16-47(17-13-36)66(64,50-28-42(58)22-43(59)29-50)51-30-44(60)23-45(61)31-51/h1-31H.
What are the key properties of 2,6-bis[4-bis(3,5-difluorophenyl)phosphorylphenyl]-4-(4-phenylphenyl)pyridine?
2,6-bis[4-bis(3,5-difluorophenyl)phosphorylphenyl]-4-(4-phenylphenyl)pyridine has a molecular weight of 927.77 g/mol, XLogP of 12.14, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis[4-bis(3,5-difluorophenyl)phosphorylphenyl]-4-(4-phenylphenyl)pyridine is sourced from PubChem (CID 137366973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).