[(3Z)-hepta-3,6-dienyl]-triphenylphosphanium iodide

C25H26IP — CID 10767189

IUPAC[(3Z)-hepta-3,6-dienyl]-triphenylphosphanium iodide
SMILESC=CC/C=C\CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[I-]
InChIInChI=1S/C25H26P.HI/c1-2-3-4-5-15-22-26(23-16-9-6-10-17-23,24-18-11-7-12-19-24)25-20-13-8-14-21-25;/h2,4-14,16-21H,1,3,15,22H2;1H/q+1;/p-1/b5-4-;
InChIKeyZGZMBXJAQIAOCI-MKWAYWHRSA-M
MW484.36 g/mol
LogP2.51
Rot. Bonds8

About [(3Z)-hepta-3,6-dienyl]-triphenylphosphanium iodide

[(3Z)-hepta-3,6-dienyl]-triphenylphosphanium iodide (PubChem CID 10767189) has the molecular formula C25H26IP and a molecular weight of 484.36 g/mol. Its IUPAC name is [(3Z)-hepta-3,6-dienyl]-triphenylphosphanium iodide.

Molecular Properties

Compound Name[(3Z)-hepta-3,6-dienyl]-triphenylphosphanium iodide
PubChem CID10767189
Molecular FormulaC25H26IP
Molecular Weight484.36 g/mol
Exact Mass484.08
IUPAC Name[(3Z)-hepta-3,6-dienyl]-triphenylphosphanium iodide
SMILESC=CC/C=C\CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[I-]
InChIInChI=1S/C25H26P.HI/c1-2-3-4-5-15-22-26(23-16-9-6-10-17-23,24-18-11-7-12-19-24)25-20-13-8-14-21-25;/h2,4-14,16-21H,1,3,15,22H2;1H/q+1;/p-1/b5-4-;
InChIKeyZGZMBXJAQIAOCI-MKWAYWHRSA-M
XLogP2.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.36
LogP ≤ 52.51
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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Related Compounds

[(3Z)-hepta-3,6-dienyl]-triphenylphosphanium
CID 10767190
[(3Z,6Z)-nona-3,6-dienyl]-triphenylphosphanium
CID 10099245
hex-3-enyl(triphenyl)phosphanium
CID 73026873
[(Z)-hex-3-enyl]-triphenylphosphanium
CID 10993587
[(6E,12E)-nonadeca-6,12,18-trienyl]-triphenylphosphanium
CID 101375603
triphenyl-[(E)-4-phenylbut-3-enyl]phosphanium
CID 15529550
triphenyl(undec-10-enyl)phosphanium
CID 3716115
[(3Z,6Z)-8,8,9,9,9-pentadeuterionona-3,6-dienyl]-triphenylphosphanium
CID 10437824
oct-7-enyl(triphenyl)phosphanium bromide
CID 22627871
palladium;triphenyl(2-triphenylphosphaniumylethyl)phosphanium
CID 87290696
triphenyl(2-triphenylphosphaniumylethyl)phosphanium dibromide
CID 2785215
triphenyl-[(E)-6,8,8-trimethylnon-3-enyl]phosphanium
CID 101160333

Frequently Asked Questions

What is the IUPAC name of [(3Z)-hepta-3,6-dienyl]-triphenylphosphanium iodide?
The IUPAC name of [(3Z)-hepta-3,6-dienyl]-triphenylphosphanium iodide (CID 10767189) is [(3Z)-hepta-3,6-dienyl]-triphenylphosphanium iodide.
What is the SMILES notation for [(3Z)-hepta-3,6-dienyl]-triphenylphosphanium iodide?
The canonical SMILES for [(3Z)-hepta-3,6-dienyl]-triphenylphosphanium iodide is C=CC/C=C\CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[I-].
What is the InChIKey of [(3Z)-hepta-3,6-dienyl]-triphenylphosphanium iodide?
The InChIKey is ZGZMBXJAQIAOCI-MKWAYWHRSA-M. The full InChI is InChI=1S/C25H26P.HI/c1-2-3-4-5-15-22-26(23-16-9-6-10-17-23,24-18-11-7-12-19-24)25-20-13-8-14-21-25;/h2,4-14,16-21H,1,3,15,22H2;1H/q+1;/p-1/b5-4-;.
What are the key properties of [(3Z)-hepta-3,6-dienyl]-triphenylphosphanium iodide?
[(3Z)-hepta-3,6-dienyl]-triphenylphosphanium iodide has a molecular weight of 484.36 g/mol, XLogP of 2.51, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(3Z)-hepta-3,6-dienyl]-triphenylphosphanium iodide is sourced from PubChem (CID 10767189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).