triphenyl-[[4-[(E)-prop-1-enyl]cyclohexyl]methyl]phosphanium iodide

C28H32IP — CID 165359911

IUPACtriphenyl-[[4-[(E)-prop-1-enyl]cyclohexyl]methyl]phosphanium iodide
SMILESC/C=C/C1CCC(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)CC1.[I-]
InChIInChI=1S/C28H32P.HI/c1-2-12-24-19-21-25(22-20-24)23-29(26-13-6-3-7-14-26,27-15-8-4-9-16-27)28-17-10-5-11-18-28;/h2-18,24-25H,19-23H2,1H3;1H/q+1;/p-1/b12-2+;
InChIKeyKRIJEVHLXUMJLG-GQQZLYHYSA-M
MW526.44 g/mol
LogP3.37
Rot. Bonds6

About triphenyl-[[4-[(E)-prop-1-enyl]cyclohexyl]methyl]phosphanium iodide

triphenyl-[[4-[(E)-prop-1-enyl]cyclohexyl]methyl]phosphanium iodide (PubChem CID 165359911) has the molecular formula C28H32IP and a molecular weight of 526.44 g/mol. Its IUPAC name is triphenyl-[[4-[(E)-prop-1-enyl]cyclohexyl]methyl]phosphanium iodide.

Molecular Properties

Compound Nametriphenyl-[[4-[(E)-prop-1-enyl]cyclohexyl]methyl]phosphanium iodide
PubChem CID165359911
Molecular FormulaC28H32IP
Molecular Weight526.44 g/mol
Exact Mass526.13
IUPAC Nametriphenyl-[[4-[(E)-prop-1-enyl]cyclohexyl]methyl]phosphanium iodide
SMILESC/C=C/C1CCC(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)CC1.[I-]
InChIInChI=1S/C28H32P.HI/c1-2-12-24-19-21-25(22-20-24)23-29(26-13-6-3-7-14-26,27-15-8-4-9-16-27)28-17-10-5-11-18-28;/h2-18,24-25H,19-23H2,1H3;1H/q+1;/p-1/b12-2+;
InChIKeyKRIJEVHLXUMJLG-GQQZLYHYSA-M
XLogP3.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500526.44
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of triphenyl-[[4-[(E)-prop-1-enyl]cyclohexyl]methyl]phosphanium iodide?
The IUPAC name of triphenyl-[[4-[(E)-prop-1-enyl]cyclohexyl]methyl]phosphanium iodide (CID 165359911) is triphenyl-[[4-[(E)-prop-1-enyl]cyclohexyl]methyl]phosphanium iodide.
What is the SMILES notation for triphenyl-[[4-[(E)-prop-1-enyl]cyclohexyl]methyl]phosphanium iodide?
The canonical SMILES for triphenyl-[[4-[(E)-prop-1-enyl]cyclohexyl]methyl]phosphanium iodide is C/C=C/C1CCC(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)CC1.[I-].
What is the InChIKey of triphenyl-[[4-[(E)-prop-1-enyl]cyclohexyl]methyl]phosphanium iodide?
The InChIKey is KRIJEVHLXUMJLG-GQQZLYHYSA-M. The full InChI is InChI=1S/C28H32P.HI/c1-2-12-24-19-21-25(22-20-24)23-29(26-13-6-3-7-14-26,27-15-8-4-9-16-27)28-17-10-5-11-18-28;/h2-18,24-25H,19-23H2,1H3;1H/q+1;/p-1/b12-2+;.
What are the key properties of triphenyl-[[4-[(E)-prop-1-enyl]cyclohexyl]methyl]phosphanium iodide?
triphenyl-[[4-[(E)-prop-1-enyl]cyclohexyl]methyl]phosphanium iodide has a molecular weight of 526.44 g/mol, XLogP of 3.37, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for triphenyl-[[4-[(E)-prop-1-enyl]cyclohexyl]methyl]phosphanium iodide is sourced from PubChem (CID 165359911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).