[triphenyl-(2-phenyl-4-pyridinyl)-λ5-phosphanyl] trifluoromethanesulfonate

C30H23F3NO3PS — CID 162404875

IUPAC[triphenyl-(2-phenyl-4-pyridinyl)-λ5-phosphanyl] trifluoromethanesulfonate
SMILESO=S(=O)(OP(c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccnc(-c2ccccc2)c1)C(F)(F)F
InChIInChI=1S/C30H23F3NO3PS/c31-30(32,33)39(35,36)37-38(25-15-7-2-8-16-25,26-17-9-3-10-18-26,27-19-11-4-12-20-27)28-21-22-34-29(23-28)24-13-5-1-6-14-24/h1-23H
InChIKeyZJOXYKCKOUBKHG-UHFFFAOYSA-N
MW565.55 g/mol
LogP5.68
Rot. Bonds7

About [triphenyl-(2-phenyl-4-pyridinyl)-λ5-phosphanyl] trifluoromethanesulfonate

[triphenyl-(2-phenyl-4-pyridinyl)-λ5-phosphanyl] trifluoromethanesulfonate (PubChem CID 162404875) has the molecular formula C30H23F3NO3PS and a molecular weight of 565.55 g/mol. Its IUPAC name is [triphenyl-(2-phenyl-4-pyridinyl)-λ5-phosphanyl] trifluoromethanesulfonate.

Molecular Properties

Compound Name[triphenyl-(2-phenyl-4-pyridinyl)-λ5-phosphanyl] trifluoromethanesulfonate
PubChem CID162404875
Molecular FormulaC30H23F3NO3PS
Molecular Weight565.55 g/mol
Exact Mass565.11
IUPAC Name[triphenyl-(2-phenyl-4-pyridinyl)-λ5-phosphanyl] trifluoromethanesulfonate
SMILESO=S(=O)(OP(c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccnc(-c2ccccc2)c1)C(F)(F)F
InChIInChI=1S/C30H23F3NO3PS/c31-30(32,33)39(35,36)37-38(25-15-7-2-8-16-25,26-17-9-3-10-18-26,27-19-11-4-12-20-27)28-21-22-34-29(23-28)24-13-5-1-6-14-24/h1-23H
InChIKeyZJOXYKCKOUBKHG-UHFFFAOYSA-N
XLogP5.68
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500565.55
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Rac-3-((Diphenylphosphoryl)(Phenyl)Methyl)Pyridine
CID 71520576
1-Methyl-2,6-bis[2-[4-(4-methylphenyl)phenyl]ethynyl]pyridin-1-ium;trifluoromethanesulfonate
CID 122181654
N-[2-fluoro-4-(4-fluorophenyl)phenyl]-N-(pyridin-3-ylmethyl)methanesulfonamide
CID 73352682
2,5-Bis(4-fluorophenyl)pyridine
CID 44308109
Trifluoromethanesulfonate;triphenyl-(2-phenyl-4-pyridinyl)phosphanium
CID 175165991
2,3,4-Triphenylpyridine
CID 13284471
Chloro(p-cymene)[2-[(di-tert-butylphosphino)methyl]pyridine]ruthenium(II) Triflate
CID 162420743
1-(4-Benzhydrylidenecyclohepta-2,5-dien-1-yl)pyridin-1-ium;trifluoromethanesulfonate
CID 13442428
2-[2,6-Diphenyl-4-(trifluoromethyl)phenyl]pyridine
CID 24951142
2-Phenyl-3,4-dihydroquinolizin-5-ium;trifluoromethanesulfonate
CID 44131253
1-But-3-enyl-2-(1-phenylethenyl)pyridin-1-ium;trifluoromethanesulfonate
CID 44131264
2-Ethenyl-1-(3-phenylbut-3-enyl)pyridin-1-ium;trifluoromethanesulfonate
CID 44131366

Frequently Asked Questions

What is the IUPAC name of [triphenyl-(2-phenyl-4-pyridinyl)-λ5-phosphanyl] trifluoromethanesulfonate?
The IUPAC name of [triphenyl-(2-phenyl-4-pyridinyl)-λ5-phosphanyl] trifluoromethanesulfonate (CID 162404875) is [triphenyl-(2-phenyl-4-pyridinyl)-λ5-phosphanyl] trifluoromethanesulfonate.
What is the SMILES notation for [triphenyl-(2-phenyl-4-pyridinyl)-λ5-phosphanyl] trifluoromethanesulfonate?
The canonical SMILES for [triphenyl-(2-phenyl-4-pyridinyl)-λ5-phosphanyl] trifluoromethanesulfonate is O=S(=O)(OP(c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccnc(-c2ccccc2)c1)C(F)(F)F.
What is the InChIKey of [triphenyl-(2-phenyl-4-pyridinyl)-λ5-phosphanyl] trifluoromethanesulfonate?
The InChIKey is ZJOXYKCKOUBKHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H23F3NO3PS/c31-30(32,33)39(35,36)37-38(25-15-7-2-8-16-25,26-17-9-3-10-18-26,27-19-11-4-12-20-27)28-21-22-34-29(23-28)24-13-5-1-6-14-24/h1-23H.
What are the key properties of [triphenyl-(2-phenyl-4-pyridinyl)-λ5-phosphanyl] trifluoromethanesulfonate?
[triphenyl-(2-phenyl-4-pyridinyl)-λ5-phosphanyl] trifluoromethanesulfonate has a molecular weight of 565.55 g/mol, XLogP of 5.68, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [triphenyl-(2-phenyl-4-pyridinyl)-λ5-phosphanyl] trifluoromethanesulfonate is sourced from PubChem (CID 162404875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).