diphenylphosphanyl-(diphenylphosphanylmethyl)-diphenylphosphanium;trifluoromethanesulfonate

C38H32F3O3P3S — CID 139119438

IUPACdiphenylphosphanyl-(diphenylphosphanylmethyl)-diphenylphosphanium;trifluoromethanesulfonate
SMILESO=S(=O)([O-])C(F)(F)F.c1ccc(P(C[P+](c2ccccc2)(c2ccccc2)P(c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C37H32P3.CHF3O3S/c1-7-19-32(20-8-1)38(33-21-9-2-10-22-33)31-40(36-27-15-5-16-28-36,37-29-17-6-18-30-37)39(34-23-11-3-12-24-34)35-25-13-4-14-26-35;2-1(3,4)8(5,6)7/h1-30H,31H2;(H,5,6,7)/q+1;/p-1
InChIKeyWYAAZVMPCZNOIW-UHFFFAOYSA-M
MW718.65 g/mol
LogP7.84
Rot. Bonds9

About diphenylphosphanyl-(diphenylphosphanylmethyl)-diphenylphosphanium;trifluoromethanesulfonate

diphenylphosphanyl-(diphenylphosphanylmethyl)-diphenylphosphanium;trifluoromethanesulfonate (PubChem CID 139119438) has the molecular formula C38H32F3O3P3S and a molecular weight of 718.65 g/mol. Its IUPAC name is diphenylphosphanyl-(diphenylphosphanylmethyl)-diphenylphosphanium;trifluoromethanesulfonate.

Molecular Properties

Compound Namediphenylphosphanyl-(diphenylphosphanylmethyl)-diphenylphosphanium;trifluoromethanesulfonate
PubChem CID139119438
Molecular FormulaC38H32F3O3P3S
Molecular Weight718.65 g/mol
Exact Mass718.12
IUPAC Namediphenylphosphanyl-(diphenylphosphanylmethyl)-diphenylphosphanium;trifluoromethanesulfonate
SMILESO=S(=O)([O-])C(F)(F)F.c1ccc(P(C[P+](c2ccccc2)(c2ccccc2)P(c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C37H32P3.CHF3O3S/c1-7-19-32(20-8-1)38(33-21-9-2-10-22-33)31-40(36-27-15-5-16-28-36,37-29-17-6-18-30-37)39(34-23-11-3-12-24-34)35-25-13-4-14-26-35;2-1(3,4)8(5,6)7/h1-30H,31H2;(H,5,6,7)/q+1;/p-1
InChIKeyWYAAZVMPCZNOIW-UHFFFAOYSA-M
XLogP7.84
TPSA57.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500718.65
LogP ≤ 57.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

Analyze diphenylphosphanyl-(diphenylphosphanylmethyl)-diphenylphosphanium;trifluoromethanesulfonate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

iodobenzene;trifluoromethanesulfonate
CID 18458510
benzenethiol;trifluoromethanesulfonate
CID 23284292
diphenylsulfanium;trifluoromethanesulfonate
CID 22247522
gold;trifluoromethanesulfonic acid;triphenylphosphane
CID 158410335
CID 11787801
CID 11787801
diphenylphosphanyl-diphenyl-propylphosphanium
CID 88639997
diethyl(phenyl)azanium;trifluoromethanesulfonate
CID 158269719
dodecakis(cerium(3+));(trifluoromethanesulfonate)
CID 173221749
phenyl-bis(trifluoromethylsulfonyl)phosphane
CID 87352746
2-diphenylphosphanylethyl(diphenyl)phosphane;palladium;bis(2,2,2-trifluoroacetic acid)
CID 134991896
dilithium;[2,2-bis(diphenylphosphanylmethyl)-3-sulfonatooxypropyl] sulfate
CID 15903954
potassium 2-(diphenylphosphanylmethyl)benzenesulfonate
CID 59163443

Frequently Asked Questions

What is the IUPAC name of diphenylphosphanyl-(diphenylphosphanylmethyl)-diphenylphosphanium;trifluoromethanesulfonate?
The IUPAC name of diphenylphosphanyl-(diphenylphosphanylmethyl)-diphenylphosphanium;trifluoromethanesulfonate (CID 139119438) is diphenylphosphanyl-(diphenylphosphanylmethyl)-diphenylphosphanium;trifluoromethanesulfonate.
What is the SMILES notation for diphenylphosphanyl-(diphenylphosphanylmethyl)-diphenylphosphanium;trifluoromethanesulfonate?
The canonical SMILES for diphenylphosphanyl-(diphenylphosphanylmethyl)-diphenylphosphanium;trifluoromethanesulfonate is O=S(=O)([O-])C(F)(F)F.c1ccc(P(C[P+](c2ccccc2)(c2ccccc2)P(c2ccccc2)c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of diphenylphosphanyl-(diphenylphosphanylmethyl)-diphenylphosphanium;trifluoromethanesulfonate?
The InChIKey is WYAAZVMPCZNOIW-UHFFFAOYSA-M. The full InChI is InChI=1S/C37H32P3.CHF3O3S/c1-7-19-32(20-8-1)38(33-21-9-2-10-22-33)31-40(36-27-15-5-16-28-36,37-29-17-6-18-30-37)39(34-23-11-3-12-24-34)35-25-13-4-14-26-35;2-1(3,4)8(5,6)7/h1-30H,31H2;(H,5,6,7)/q+1;/p-1.
What are the key properties of diphenylphosphanyl-(diphenylphosphanylmethyl)-diphenylphosphanium;trifluoromethanesulfonate?
diphenylphosphanyl-(diphenylphosphanylmethyl)-diphenylphosphanium;trifluoromethanesulfonate has a molecular weight of 718.65 g/mol, XLogP of 7.84, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for diphenylphosphanyl-(diphenylphosphanylmethyl)-diphenylphosphanium;trifluoromethanesulfonate is sourced from PubChem (CID 139119438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).