bis[3,5-bis(trifluoromethyl)phenyl]-[(1S,2S)-2-diphenylphosphanyloxycyclohexyl]oxyphosphane

C34H26F12O2P2 — CID 10533132

IUPACbis[3,5-bis(trifluoromethyl)phenyl]-[(1S,2S)-2-diphenylphosphanyloxycyclohexyl]oxyphosphane
SMILESFC(F)(F)c1cc(P(O[C@H]2CCCC[C@@H]2OP(c2ccccc2)c2ccccc2)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc(C(F)(F)F)c1
InChIInChI=1S/C34H26F12O2P2/c35-31(36,37)21-15-22(32(38,39)40)18-27(17-21)50(28-19-23(33(41,42)43)16-24(20-28)34(44,45)46)48-30-14-8-7-13-29(30)47-49(25-9-3-1-4-10-25)26-11-5-2-6-12-26/h1-6,9-12,15-20,29-30H,7-8,13-14H2/t29-,30-/m0/s1
InChIKeyHBLDCYAMNSGKPR-KYJUHHDHSA-N
MW756.50 g/mol
LogP10.50
Rot. Bonds8

About bis[3,5-bis(trifluoromethyl)phenyl]-[(1S,2S)-2-diphenylphosphanyloxycyclohexyl]oxyphosphane

bis[3,5-bis(trifluoromethyl)phenyl]-[(1S,2S)-2-diphenylphosphanyloxycyclohexyl]oxyphosphane (PubChem CID 10533132) has the molecular formula C34H26F12O2P2 and a molecular weight of 756.50 g/mol. Its IUPAC name is bis[3,5-bis(trifluoromethyl)phenyl]-[(1S,2S)-2-diphenylphosphanyloxycyclohexyl]oxyphosphane.

Molecular Properties

Compound Namebis[3,5-bis(trifluoromethyl)phenyl]-[(1S,2S)-2-diphenylphosphanyloxycyclohexyl]oxyphosphane
PubChem CID10533132
Molecular FormulaC34H26F12O2P2
Molecular Weight756.50 g/mol
Exact Mass756.12
IUPAC Namebis[3,5-bis(trifluoromethyl)phenyl]-[(1S,2S)-2-diphenylphosphanyloxycyclohexyl]oxyphosphane
SMILESFC(F)(F)c1cc(P(O[C@H]2CCCC[C@@H]2OP(c2ccccc2)c2ccccc2)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc(C(F)(F)F)c1
InChIInChI=1S/C34H26F12O2P2/c35-31(36,37)21-15-22(32(38,39)40)18-27(17-21)50(28-19-23(33(41,42)43)16-24(20-28)34(44,45)46)48-30-14-8-7-13-29(30)47-49(25-9-3-1-4-10-25)26-11-5-2-6-12-26/h1-6,9-12,15-20,29-30H,7-8,13-14H2/t29-,30-/m0/s1
InChIKeyHBLDCYAMNSGKPR-KYJUHHDHSA-N
XLogP10.50
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500756.50
LogP ≤ 510.50
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 bis[3,5-bis(trifluoromethyl)phenyl]-[(1S,2S)-2-diphenylphosphanyloxycyclohexyl]oxyphosphane?
The IUPAC name of bis[3,5-bis(trifluoromethyl)phenyl]-[(1S,2S)-2-diphenylphosphanyloxycyclohexyl]oxyphosphane (CID 10533132) is bis[3,5-bis(trifluoromethyl)phenyl]-[(1S,2S)-2-diphenylphosphanyloxycyclohexyl]oxyphosphane.
What is the SMILES notation for bis[3,5-bis(trifluoromethyl)phenyl]-[(1S,2S)-2-diphenylphosphanyloxycyclohexyl]oxyphosphane?
The canonical SMILES for bis[3,5-bis(trifluoromethyl)phenyl]-[(1S,2S)-2-diphenylphosphanyloxycyclohexyl]oxyphosphane is FC(F)(F)c1cc(P(O[C@H]2CCCC[C@@H]2OP(c2ccccc2)c2ccccc2)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc(C(F)(F)F)c1.
What is the InChIKey of bis[3,5-bis(trifluoromethyl)phenyl]-[(1S,2S)-2-diphenylphosphanyloxycyclohexyl]oxyphosphane?
The InChIKey is HBLDCYAMNSGKPR-KYJUHHDHSA-N. The full InChI is InChI=1S/C34H26F12O2P2/c35-31(36,37)21-15-22(32(38,39)40)18-27(17-21)50(28-19-23(33(41,42)43)16-24(20-28)34(44,45)46)48-30-14-8-7-13-29(30)47-49(25-9-3-1-4-10-25)26-11-5-2-6-12-26/h1-6,9-12,15-20,29-30H,7-8,13-14H2/t29-,30-/m0/s1.
What are the key properties of bis[3,5-bis(trifluoromethyl)phenyl]-[(1S,2S)-2-diphenylphosphanyloxycyclohexyl]oxyphosphane?
bis[3,5-bis(trifluoromethyl)phenyl]-[(1S,2S)-2-diphenylphosphanyloxycyclohexyl]oxyphosphane has a molecular weight of 756.50 g/mol, XLogP of 10.50, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis[3,5-bis(trifluoromethyl)phenyl]-[(1S,2S)-2-diphenylphosphanyloxycyclohexyl]oxyphosphane is sourced from PubChem (CID 10533132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).