2-diphenylphosphoryl-1-[2-diphenylphosphoryl-3-(trifluoromethyl)phenyl]-3-(trifluoromethyl)benzene

C38H26F6O2P2 — CID 15256717

IUPAC2-diphenylphosphoryl-1-[2-diphenylphosphoryl-3-(trifluoromethyl)phenyl]-3-(trifluoromethyl)benzene
SMILESO=P(c1ccccc1)(c1ccccc1)c1c(-c2cccc(C(F)(F)F)c2P(=O)(c2ccccc2)c2ccccc2)cccc1C(F)(F)F
InChIInChI=1S/C38H26F6O2P2/c39-37(40,41)33-25-13-23-31(35(33)47(45,27-15-5-1-6-16-27)28-17-7-2-8-18-28)32-24-14-26-34(38(42,43)44)36(32)48(46,29-19-9-3-10-20-29)30-21-11-4-12-22-30/h1-26H
InChIKeyLLQACEQUDISOQE-UHFFFAOYSA-N
MW690.56 g/mol
LogP8.67
Rot. Bonds7

About 2-diphenylphosphoryl-1-[2-diphenylphosphoryl-3-(trifluoromethyl)phenyl]-3-(trifluoromethyl)benzene

2-diphenylphosphoryl-1-[2-diphenylphosphoryl-3-(trifluoromethyl)phenyl]-3-(trifluoromethyl)benzene (PubChem CID 15256717) has the molecular formula C38H26F6O2P2 and a molecular weight of 690.56 g/mol. Its IUPAC name is 2-diphenylphosphoryl-1-[2-diphenylphosphoryl-3-(trifluoromethyl)phenyl]-3-(trifluoromethyl)benzene.

Molecular Properties

Compound Name2-diphenylphosphoryl-1-[2-diphenylphosphoryl-3-(trifluoromethyl)phenyl]-3-(trifluoromethyl)benzene
PubChem CID15256717
Molecular FormulaC38H26F6O2P2
Molecular Weight690.56 g/mol
Exact Mass690.13
IUPAC Name2-diphenylphosphoryl-1-[2-diphenylphosphoryl-3-(trifluoromethyl)phenyl]-3-(trifluoromethyl)benzene
SMILESO=P(c1ccccc1)(c1ccccc1)c1c(-c2cccc(C(F)(F)F)c2P(=O)(c2ccccc2)c2ccccc2)cccc1C(F)(F)F
InChIInChI=1S/C38H26F6O2P2/c39-37(40,41)33-25-13-23-31(35(33)47(45,27-15-5-1-6-16-27)28-17-7-2-8-18-28)32-24-14-26-34(38(42,43)44)36(32)48(46,29-19-9-3-10-20-29)30-21-11-4-12-22-30/h1-26H
InChIKeyLLQACEQUDISOQE-UHFFFAOYSA-N
XLogP8.67
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500690.56
LogP ≤ 58.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-diphenylphosphoryl-1-[2-diphenylphosphoryl-3-(trifluoromethyl)phenyl]-3-(trifluoromethyl)benzene?
The IUPAC name of 2-diphenylphosphoryl-1-[2-diphenylphosphoryl-3-(trifluoromethyl)phenyl]-3-(trifluoromethyl)benzene (CID 15256717) is 2-diphenylphosphoryl-1-[2-diphenylphosphoryl-3-(trifluoromethyl)phenyl]-3-(trifluoromethyl)benzene.
What is the SMILES notation for 2-diphenylphosphoryl-1-[2-diphenylphosphoryl-3-(trifluoromethyl)phenyl]-3-(trifluoromethyl)benzene?
The canonical SMILES for 2-diphenylphosphoryl-1-[2-diphenylphosphoryl-3-(trifluoromethyl)phenyl]-3-(trifluoromethyl)benzene is O=P(c1ccccc1)(c1ccccc1)c1c(-c2cccc(C(F)(F)F)c2P(=O)(c2ccccc2)c2ccccc2)cccc1C(F)(F)F.
What is the InChIKey of 2-diphenylphosphoryl-1-[2-diphenylphosphoryl-3-(trifluoromethyl)phenyl]-3-(trifluoromethyl)benzene?
The InChIKey is LLQACEQUDISOQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H26F6O2P2/c39-37(40,41)33-25-13-23-31(35(33)47(45,27-15-5-1-6-16-27)28-17-7-2-8-18-28)32-24-14-26-34(38(42,43)44)36(32)48(46,29-19-9-3-10-20-29)30-21-11-4-12-22-30/h1-26H.
What are the key properties of 2-diphenylphosphoryl-1-[2-diphenylphosphoryl-3-(trifluoromethyl)phenyl]-3-(trifluoromethyl)benzene?
2-diphenylphosphoryl-1-[2-diphenylphosphoryl-3-(trifluoromethyl)phenyl]-3-(trifluoromethyl)benzene has a molecular weight of 690.56 g/mol, XLogP of 8.67, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diphenylphosphoryl-1-[2-diphenylphosphoryl-3-(trifluoromethyl)phenyl]-3-(trifluoromethyl)benzene is sourced from PubChem (CID 15256717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).