triphenyl-[(2E,4E,6Z)-3,7,11-trimethyldodeca-2,4,6,10-tetraenyl]phosphanium bromide

C33H38BrP — CID 10995183

IUPACtriphenyl-[(2E,4E,6Z)-3,7,11-trimethyldodeca-2,4,6,10-tetraenyl]phosphanium bromide
SMILESCC(C)=CCC/C(C)=C\C=C\C(C)=C\C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]
InChIInChI=1S/C33H38P.BrH/c1-28(2)16-14-17-29(3)18-15-19-30(4)26-27-34(31-20-8-5-9-21-31,32-22-10-6-11-23-32)33-24-12-7-13-25-33;/h5-13,15-16,18-26H,14,17,27H2,1-4H3;1H/q+1;/p-1/b19-15+,29-18-,30-26+;
InChIKeyANFNYUHNBSZFKE-USKPKCGZSA-M
MW545.55 g/mol
LogP5.18
Rot. Bonds10

About triphenyl-[(2E,4E,6Z)-3,7,11-trimethyldodeca-2,4,6,10-tetraenyl]phosphanium bromide

triphenyl-[(2E,4E,6Z)-3,7,11-trimethyldodeca-2,4,6,10-tetraenyl]phosphanium bromide (PubChem CID 10995183) has the molecular formula C33H38BrP and a molecular weight of 545.55 g/mol. Its IUPAC name is triphenyl-[(2E,4E,6Z)-3,7,11-trimethyldodeca-2,4,6,10-tetraenyl]phosphanium bromide.

Molecular Properties

Compound Nametriphenyl-[(2E,4E,6Z)-3,7,11-trimethyldodeca-2,4,6,10-tetraenyl]phosphanium bromide
PubChem CID10995183
Molecular FormulaC33H38BrP
Molecular Weight545.55 g/mol
Exact Mass544.19
IUPAC Nametriphenyl-[(2E,4E,6Z)-3,7,11-trimethyldodeca-2,4,6,10-tetraenyl]phosphanium bromide
SMILESCC(C)=CCC/C(C)=C\C=C\C(C)=C\C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]
InChIInChI=1S/C33H38P.BrH/c1-28(2)16-14-17-29(3)18-15-19-30(4)26-27-34(31-20-8-5-9-21-31,32-22-10-6-11-23-32)33-24-12-7-13-25-33;/h5-13,15-16,18-26H,14,17,27H2,1-4H3;1H/q+1;/p-1/b19-15+,29-18-,30-26+;
InChIKeyANFNYUHNBSZFKE-USKPKCGZSA-M
XLogP5.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500545.55
LogP ≤ 55.18
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze triphenyl-[(2E,4E,6Z)-3,7,11-trimethyldodeca-2,4,6,10-tetraenyl]phosphanium bromide with MolForge

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Launch Full Analysis

Related Compounds

triphenyl-[(2E,4E,6E,8E,10E)-3,7,11,15-tetramethylhexadeca-2,4,6,8,10,14-hexaenyl]phosphanium
CID 71533857
[(4E)-3,7-dimethylocta-2,4,6-trienyl]-triphenylphosphanium
CID 135021083
[3,7-dimethyl-9-(2,3,4-trimethylphenyl)nona-2,4,6,8-tetraenyl]-triphenylphosphanium
CID 88803855
triphenyl(3,7,11-trimethyltrideca-2,6,10-trienyl)phosphanium chloride
CID 158884671
2,6,10,14,18,23,27,31,35-nonamethylhexatriaconta-2,6,8,10,12,14,16,18,20,22,24,26,28,30,34-pentadecaene
CID 123174328
(6E,8E,10Z,12E,14Z,16E,18Z,20E,22Z,24E,26E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,8,10,12,14,16,18,20,22,24,26,30-tridecaene
CID 21145326
[(2E,4E,6Z)-8-ethoxy-3,7-dimethyl-8-oxoocta-2,4,6-trienyl]-triphenylphosphanium
CID 22129223
[(2E,4E,6E)-8-ethoxy-3,7-dimethyl-8-oxoocta-2,4,6-trienyl]-triphenylphosphanium chloride
CID 6366357
(2E,4E,6E,8E,10E)-3,7,11,15-tetramethylhexadeca-2,4,6,8,10,14-hexaen-1-ol
CID 24860841
[(2E,4E,6E,8E,10Z)-12-ethoxy-3,7,11-trimethyl-12-oxododeca-2,4,6,8,10-pentaenyl]-triphenylphosphanium
CID 88805250
2,6,10,14,19,23,27,31-octamethyldotriaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,30-tetradecaene
CID 53395140
3,7,11,15-tetramethylhexadeca-2,4,6,8,10,14-hexaene
CID 123202578

Frequently Asked Questions

What is the IUPAC name of triphenyl-[(2E,4E,6Z)-3,7,11-trimethyldodeca-2,4,6,10-tetraenyl]phosphanium bromide?
The IUPAC name of triphenyl-[(2E,4E,6Z)-3,7,11-trimethyldodeca-2,4,6,10-tetraenyl]phosphanium bromide (CID 10995183) is triphenyl-[(2E,4E,6Z)-3,7,11-trimethyldodeca-2,4,6,10-tetraenyl]phosphanium bromide.
What is the SMILES notation for triphenyl-[(2E,4E,6Z)-3,7,11-trimethyldodeca-2,4,6,10-tetraenyl]phosphanium bromide?
The canonical SMILES for triphenyl-[(2E,4E,6Z)-3,7,11-trimethyldodeca-2,4,6,10-tetraenyl]phosphanium bromide is CC(C)=CCC/C(C)=C\C=C\C(C)=C\C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-].
What is the InChIKey of triphenyl-[(2E,4E,6Z)-3,7,11-trimethyldodeca-2,4,6,10-tetraenyl]phosphanium bromide?
The InChIKey is ANFNYUHNBSZFKE-USKPKCGZSA-M. The full InChI is InChI=1S/C33H38P.BrH/c1-28(2)16-14-17-29(3)18-15-19-30(4)26-27-34(31-20-8-5-9-21-31,32-22-10-6-11-23-32)33-24-12-7-13-25-33;/h5-13,15-16,18-26H,14,17,27H2,1-4H3;1H/q+1;/p-1/b19-15+,29-18-,30-26+;.
What are the key properties of triphenyl-[(2E,4E,6Z)-3,7,11-trimethyldodeca-2,4,6,10-tetraenyl]phosphanium bromide?
triphenyl-[(2E,4E,6Z)-3,7,11-trimethyldodeca-2,4,6,10-tetraenyl]phosphanium bromide has a molecular weight of 545.55 g/mol, XLogP of 5.18, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for triphenyl-[(2E,4E,6Z)-3,7,11-trimethyldodeca-2,4,6,10-tetraenyl]phosphanium bromide is sourced from PubChem (CID 10995183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).