bis(methyl(triphenyl)phosphanium) ditriiodide

C38H36I6P2 — CID 139175136

IUPACbis(methyl(triphenyl)phosphanium) ditriiodide
SMILESC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.I[I-]I.I[I-]I
InChIInChI=1S/2C19H18P.2I3/c2*1-20(17-11-5-2-6-12-17,18-13-7-3-8-14-18)19-15-9-4-10-16-19;2*1-3-2/h2*2-16H,1H3;;/q2*+1;2*-1
InChIKeyUYLYZAMBYCZBHR-UHFFFAOYSA-N
MW1316.08 g/mol
LogP4.77
Rot. Bonds6

About bis(methyl(triphenyl)phosphanium) ditriiodide

bis(methyl(triphenyl)phosphanium) ditriiodide (PubChem CID 139175136) has the molecular formula C38H36I6P2 and a molecular weight of 1316.08 g/mol. Its IUPAC name is bis(methyl(triphenyl)phosphanium) ditriiodide.

Molecular Properties

Compound Namebis(methyl(triphenyl)phosphanium) ditriiodide
PubChem CID139175136
Molecular FormulaC38H36I6P2
Molecular Weight1316.08 g/mol
Exact Mass1315.66
IUPAC Namebis(methyl(triphenyl)phosphanium) ditriiodide
SMILESC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.I[I-]I.I[I-]I
InChIInChI=1S/2C19H18P.2I3/c2*1-20(17-11-5-2-6-12-17,18-13-7-3-8-14-18)19-15-9-4-10-16-19;2*1-3-2/h2*2-16H,1H3;;/q2*+1;2*-1
InChIKeyUYLYZAMBYCZBHR-UHFFFAOYSA-N
XLogP4.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms46
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 5001316.08
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze bis(methyl(triphenyl)phosphanium) ditriiodide 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

manganese(2+);methyl(triphenyl)phosphanium;dibromide
CID 175373163
methyl(triphenyl)phosphanium;tetrafluoroalumanuide
CID 21264908
methyl(triphenyl)phosphanium hexafluorophosphate
CID 19831321
methyl-diphenyl-pyridin-4-ylphosphanium
CID 4829632
chloro(diphenyl)stibane;methyl(triphenyl)phosphanium
CID 157067875
methyl(triphenyl)phosphanium;styrene
CID 174886967
9H-fluorene;methyl(triphenyl)phosphanium;iodide
CID 174597784
methyl carbonobromidate;methyl(triphenyl)phosphanium
CID 146562792
triphenyl(trideuterio(113C)methyl)phosphanium iodide
CID 46782331
methoxy-methyl-diphenylphosphanium
CID 23415298
methyl-diphenyl-propan-2-ylphosphanium
CID 23412999
CID 139150104
CID 139150104

Frequently Asked Questions

What is the IUPAC name of bis(methyl(triphenyl)phosphanium) ditriiodide?
The IUPAC name of bis(methyl(triphenyl)phosphanium) ditriiodide (CID 139175136) is bis(methyl(triphenyl)phosphanium) ditriiodide.
What is the SMILES notation for bis(methyl(triphenyl)phosphanium) ditriiodide?
The canonical SMILES for bis(methyl(triphenyl)phosphanium) ditriiodide is C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.I[I-]I.I[I-]I.
What is the InChIKey of bis(methyl(triphenyl)phosphanium) ditriiodide?
The InChIKey is UYLYZAMBYCZBHR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C19H18P.2I3/c2*1-20(17-11-5-2-6-12-17,18-13-7-3-8-14-18)19-15-9-4-10-16-19;2*1-3-2/h2*2-16H,1H3;;/q2*+1;2*-1.
What are the key properties of bis(methyl(triphenyl)phosphanium) ditriiodide?
bis(methyl(triphenyl)phosphanium) ditriiodide has a molecular weight of 1316.08 g/mol, XLogP of 4.77, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(methyl(triphenyl)phosphanium) ditriiodide is sourced from PubChem (CID 139175136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).