triphenyl(3,7,11-trimethyltrideca-2,6,10-trienyl)phosphanium chloride

C34H42ClP — CID 158884671

IUPACtriphenyl(3,7,11-trimethyltrideca-2,6,10-trienyl)phosphanium chloride
SMILESCCC(C)=CCCC(C)=CCCC(C)=CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Cl-]
InChIInChI=1S/C34H42P.ClH/c1-5-29(2)17-15-18-30(3)19-16-20-31(4)27-28-35(32-21-9-6-10-22-32,33-23-11-7-12-24-33)34-25-13-8-14-26-34;/h6-14,17,19,21-27H,5,15-16,18,20,28H2,1-4H3;1H/q+1;/p-1
InChIKeyJDLXAWCVGLCGMP-UHFFFAOYSA-M
MW517.14 g/mol
LogP5.79
Rot. Bonds12

About triphenyl(3,7,11-trimethyltrideca-2,6,10-trienyl)phosphanium chloride

triphenyl(3,7,11-trimethyltrideca-2,6,10-trienyl)phosphanium chloride (PubChem CID 158884671) has the molecular formula C34H42ClP and a molecular weight of 517.14 g/mol. Its IUPAC name is triphenyl(3,7,11-trimethyltrideca-2,6,10-trienyl)phosphanium chloride.

Molecular Properties

Compound Nametriphenyl(3,7,11-trimethyltrideca-2,6,10-trienyl)phosphanium chloride
PubChem CID158884671
Molecular FormulaC34H42ClP
Molecular Weight517.14 g/mol
Exact Mass516.27
IUPAC Nametriphenyl(3,7,11-trimethyltrideca-2,6,10-trienyl)phosphanium chloride
SMILESCCC(C)=CCCC(C)=CCCC(C)=CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Cl-]
InChIInChI=1S/C34H42P.ClH/c1-5-29(2)17-15-18-30(3)19-16-20-31(4)27-28-35(32-21-9-6-10-22-32,33-23-11-7-12-24-33)34-25-13-8-14-26-34;/h6-14,17,19,21-27H,5,15-16,18,20,28H2,1-4H3;1H/q+1;/p-1
InChIKeyJDLXAWCVGLCGMP-UHFFFAOYSA-M
XLogP5.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.14
LogP ≤ 55.79
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

(8-methoxy-3,7-dimethyl-8-oxoocta-2,6-dienyl)-triphenylphosphanium
CID 57349793
(5-cyclopropyl-3-methylpent-2-enyl)-triphenylphosphanium
CID 87714746
triphenyl-[(2E,4E,6Z)-3,7,11-trimethyldodeca-2,4,6,10-tetraenyl]phosphanium bromide
CID 10995183
triphenyl-[(2E,4E,6E,8E,10E)-3,7,11,15-tetramethylhexadeca-2,4,6,8,10,14-hexaenyl]phosphanium
CID 71533857
3,7,11-trimethyltrideca-2,6,10-triene
CID 54049885
(3E,7E)-4,8-dimethyldeca-3,7-dien-1-ol
CID 22749874
[(Z)-3-methyl-4-oxo-4-propan-2-yloxybut-2-enyl]-triphenylphosphanium chloride
CID 87981709
(3E,7E,11E)-3,7,11-trimethyltetradeca-3,7,11-triene;(6E,10E)-2,6,10-trimethyltrideca-2,6,10-triene
CID 160792784
(3Z)-4,8-dimethyl-1-phenylnona-3,7-dien-1-ol
CID 14027932
[(4E)-3,7-dimethylocta-2,4,6-trienyl]-triphenylphosphanium
CID 135021083
(6E,10E,14E,18E)-2,6,11,15,19-pentamethylhenicosa-2,6,10,14,18-pentaene
CID 91751137
[(E)-but-2-enyl]-triphenylphosphanium iodide
CID 19366382

Frequently Asked Questions

What is the IUPAC name of triphenyl(3,7,11-trimethyltrideca-2,6,10-trienyl)phosphanium chloride?
The IUPAC name of triphenyl(3,7,11-trimethyltrideca-2,6,10-trienyl)phosphanium chloride (CID 158884671) is triphenyl(3,7,11-trimethyltrideca-2,6,10-trienyl)phosphanium chloride.
What is the SMILES notation for triphenyl(3,7,11-trimethyltrideca-2,6,10-trienyl)phosphanium chloride?
The canonical SMILES for triphenyl(3,7,11-trimethyltrideca-2,6,10-trienyl)phosphanium chloride is CCC(C)=CCCC(C)=CCCC(C)=CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Cl-].
What is the InChIKey of triphenyl(3,7,11-trimethyltrideca-2,6,10-trienyl)phosphanium chloride?
The InChIKey is JDLXAWCVGLCGMP-UHFFFAOYSA-M. The full InChI is InChI=1S/C34H42P.ClH/c1-5-29(2)17-15-18-30(3)19-16-20-31(4)27-28-35(32-21-9-6-10-22-32,33-23-11-7-12-24-33)34-25-13-8-14-26-34;/h6-14,17,19,21-27H,5,15-16,18,20,28H2,1-4H3;1H/q+1;/p-1.
What are the key properties of triphenyl(3,7,11-trimethyltrideca-2,6,10-trienyl)phosphanium chloride?
triphenyl(3,7,11-trimethyltrideca-2,6,10-trienyl)phosphanium chloride has a molecular weight of 517.14 g/mol, XLogP of 5.79, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for triphenyl(3,7,11-trimethyltrideca-2,6,10-trienyl)phosphanium chloride is sourced from PubChem (CID 158884671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).