triphenyl-[2-(4-propylidenecyclohexyl)ethyl]phosphanium

C29H34P+ — CID 18787860

IUPACtriphenyl-[2-(4-propylidenecyclohexyl)ethyl]phosphanium
SMILESCCC=C1CCC(CC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C29H34P/c1-2-12-25-19-21-26(22-20-25)23-24-30(27-13-6-3-7-14-27,28-15-8-4-9-16-28)29-17-10-5-11-18-29/h3-18,26H,2,19-24H2,1H3/q+1/b25-12-
InChIKeyLZRDTCPEJVGMPE-ROTLSHHCSA-N
MW413.57 g/mol
LogP6.90
Rot. Bonds7

About triphenyl-[2-(4-propylidenecyclohexyl)ethyl]phosphanium

triphenyl-[2-(4-propylidenecyclohexyl)ethyl]phosphanium (PubChem CID 18787860) has the molecular formula C29H34P+ and a molecular weight of 413.57 g/mol. Its IUPAC name is triphenyl-[2-(4-propylidenecyclohexyl)ethyl]phosphanium.

Molecular Properties

Compound Nametriphenyl-[2-(4-propylidenecyclohexyl)ethyl]phosphanium
PubChem CID18787860
Molecular FormulaC29H34P+
Molecular Weight413.57 g/mol
Exact Mass413.24
IUPAC Nametriphenyl-[2-(4-propylidenecyclohexyl)ethyl]phosphanium
SMILESCCC=C1CCC(CC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C29H34P/c1-2-12-25-19-21-26(22-20-25)23-24-30(27-13-6-3-7-14-27,28-15-8-4-9-16-28)29-17-10-5-11-18-29/h3-18,26H,2,19-24H2,1H3/q+1/b25-12-
InChIKeyLZRDTCPEJVGMPE-ROTLSHHCSA-N
XLogP6.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.57
LogP ≤ 56.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

hex-3-enyl(triphenyl)phosphanium
CID 73026873
[(Z)-hex-3-enyl]-triphenylphosphanium
CID 10993587
[(3Z,6Z)-nona-3,6-dienyl]-triphenylphosphanium
CID 10099245
(5-cyclopropyl-3-methylpent-2-enyl)-triphenylphosphanium
CID 87714746
cyclopropylmethyl(triphenyl)phosphanium;hydrobromide
CID 123134069
triphenyl-[(9-propylspiro[5.5]undecan-3-yl)methyl]phosphanium bromide
CID 162052139
2-(4-propylcyclohexylidene)ethanamine
CID 63969880
triphenyl(propyl)phosphanium;hydrochloride
CID 118516578
palladium;triphenyl(2-triphenylphosphaniumylethyl)phosphanium
CID 87290696
triphenyl(2-triphenylphosphaniumylethyl)phosphanium dibromide
CID 2785215
cyclobutylmethyl(triphenyl)phosphanium bromide
CID 86583711
triphenyl(2-triphenylphosphaniumylethyl)phosphanium diperiodate
CID 139080930

Frequently Asked Questions

What is the IUPAC name of triphenyl-[2-(4-propylidenecyclohexyl)ethyl]phosphanium?
The IUPAC name of triphenyl-[2-(4-propylidenecyclohexyl)ethyl]phosphanium (CID 18787860) is triphenyl-[2-(4-propylidenecyclohexyl)ethyl]phosphanium.
What is the SMILES notation for triphenyl-[2-(4-propylidenecyclohexyl)ethyl]phosphanium?
The canonical SMILES for triphenyl-[2-(4-propylidenecyclohexyl)ethyl]phosphanium is CCC=C1CCC(CC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of triphenyl-[2-(4-propylidenecyclohexyl)ethyl]phosphanium?
The InChIKey is LZRDTCPEJVGMPE-ROTLSHHCSA-N. The full InChI is InChI=1S/C29H34P/c1-2-12-25-19-21-26(22-20-25)23-24-30(27-13-6-3-7-14-27,28-15-8-4-9-16-28)29-17-10-5-11-18-29/h3-18,26H,2,19-24H2,1H3/q+1/b25-12-.
What are the key properties of triphenyl-[2-(4-propylidenecyclohexyl)ethyl]phosphanium?
triphenyl-[2-(4-propylidenecyclohexyl)ethyl]phosphanium has a molecular weight of 413.57 g/mol, XLogP of 6.90, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for triphenyl-[2-(4-propylidenecyclohexyl)ethyl]phosphanium is sourced from PubChem (CID 18787860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).