CID 102382690

C29H41PSn+ — CID 102382690

IUPAC—
SMILES[CH2]CCC.[CH2]CCC.[CH2]CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[H][H].[Sn]
InChIInChI=1S/C21H21P.2C4H9.Sn.H2/c1-2-18-22(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21;2*1-3-4-2;;/h3-17H,1-2,18H2;2*1,3-4H2,2H3;;1H/q+1;;;;
InChIKeyIJUUVDUVBBGGAB-UHFFFAOYSA-N
MW539.33 g/mol
LogP7.31
Rot. Bonds7

About CID 102382690

CID 102382690 (PubChem CID 102382690) has the molecular formula C29H41PSn+ and a molecular weight of 539.33 g/mol.

Molecular Properties

Compound NameCID 102382690
PubChem CID102382690
Molecular FormulaC29H41PSn+
Molecular Weight539.33 g/mol
Exact Mass540.20
IUPAC Name—
SMILES[CH2]CCC.[CH2]CCC.[CH2]CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[H][H].[Sn]
InChIInChI=1S/C21H21P.2C4H9.Sn.H2/c1-2-18-22(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21;2*1-3-4-2;;/h3-17H,1-2,18H2;2*1,3-4H2,2H3;;1H/q+1;;;;
InChIKeyIJUUVDUVBBGGAB-UHFFFAOYSA-N
XLogP7.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500539.33
LogP ≤ 57.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

triphenyl(propyl)phosphanium;hydrochloride
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hexyl(triphenyl)phosphanium
CID 2724570
dodecyl(triphenyl)phosphanium iodide
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triphenyl(undecyl)phosphanium chloride
CID 22921220
dodecyl(triphenyl)phosphanium fluoride
CID 88725542
butyl(triphenyl)phosphanium;phosphane;chloride
CID 172806882
palladium;triphenyl(2-triphenylphosphaniumylethyl)phosphanium
CID 87290696
triphenyl(2-triphenylphosphaniumylethyl)phosphanium dibromide
CID 2785215
nonyl(triphenyl)phosphanium;phosphane;bromide
CID 174988859
3,3-dimethoxypropyl(triphenyl)phosphanium
CID 10621039
nonyl(triphenyl)phosphanium;trichlorozinc(1-)
CID 19420228
ethyl(triphenyl)phosphanium;hexahydrofluoride
CID 174986237

Frequently Asked Questions

What is the IUPAC name of CID 102382690?
The IUPAC name of CID 102382690 (CID 102382690) is not available.
What is the SMILES notation for CID 102382690?
The canonical SMILES for CID 102382690 is [CH2]CCC.[CH2]CCC.[CH2]CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[H][H].[Sn].
What is the InChIKey of CID 102382690?
The InChIKey is IJUUVDUVBBGGAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21P.2C4H9.Sn.H2/c1-2-18-22(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21;2*1-3-4-2;;/h3-17H,1-2,18H2;2*1,3-4H2,2H3;;1H/q+1;;;;.
What are the key properties of CID 102382690?
CID 102382690 has a molecular weight of 539.33 g/mol, XLogP of 7.31, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 102382690 is sourced from PubChem (CID 102382690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).