triphenyl-[(2E,4E,6E,8E,10E)-3,7,11,15-tetramethylhexadeca-2,4,6,8,10,14-hexaenyl]phosphanium

C38H44P+ — CID 71533857

IUPACtriphenyl-[(2E,4E,6E,8E,10E)-3,7,11,15-tetramethylhexadeca-2,4,6,8,10,14-hexaenyl]phosphanium
SMILESCC(C)=CCC/C(C)=C/C=C/C(C)=C/C=C/C(C)=C/C[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C38H44P/c1-32(2)18-15-19-33(3)20-16-21-34(4)22-17-23-35(5)30-31-39(36-24-9-6-10-25-36,37-26-11-7-12-27-37)38-28-13-8-14-29-38/h6-14,16-18,20-30H,15,19,31H2,1-5H3/q+1/b21-16+,23-17+,33-20+,34-22+,35-30+
InChIKeyPJUFELCCTTUWEB-FILYGVHXSA-N
MW531.74 g/mol
LogP9.68
Rot. Bonds12

About triphenyl-[(2E,4E,6E,8E,10E)-3,7,11,15-tetramethylhexadeca-2,4,6,8,10,14-hexaenyl]phosphanium

triphenyl-[(2E,4E,6E,8E,10E)-3,7,11,15-tetramethylhexadeca-2,4,6,8,10,14-hexaenyl]phosphanium (PubChem CID 71533857) has the molecular formula C38H44P+ and a molecular weight of 531.74 g/mol. Its IUPAC name is triphenyl-[(2E,4E,6E,8E,10E)-3,7,11,15-tetramethylhexadeca-2,4,6,8,10,14-hexaenyl]phosphanium.

Molecular Properties

Compound Nametriphenyl-[(2E,4E,6E,8E,10E)-3,7,11,15-tetramethylhexadeca-2,4,6,8,10,14-hexaenyl]phosphanium
PubChem CID71533857
Molecular FormulaC38H44P+
Molecular Weight531.74 g/mol
Exact Mass531.32
IUPAC Nametriphenyl-[(2E,4E,6E,8E,10E)-3,7,11,15-tetramethylhexadeca-2,4,6,8,10,14-hexaenyl]phosphanium
SMILESCC(C)=CCC/C(C)=C/C=C/C(C)=C/C=C/C(C)=C/C[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C38H44P/c1-32(2)18-15-19-33(3)20-16-21-34(4)22-17-23-35(5)30-31-39(36-24-9-6-10-25-36,37-26-11-7-12-27-37)38-28-13-8-14-29-38/h6-14,16-18,20-30H,15,19,31H2,1-5H3/q+1/b21-16+,23-17+,33-20+,34-22+,35-30+
InChIKeyPJUFELCCTTUWEB-FILYGVHXSA-N
XLogP9.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500531.74
LogP ≤ 59.68
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'}

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Related Compounds

triphenyl-[(2E,4E,6Z)-3,7,11-trimethyldodeca-2,4,6,10-tetraenyl]phosphanium bromide
CID 10995183
[(4E)-3,7-dimethylocta-2,4,6-trienyl]-triphenylphosphanium
CID 135021083
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
[3,7-dimethyl-9-(2,3,4-trimethylphenyl)nona-2,4,6,8-tetraenyl]-triphenylphosphanium
CID 88803855
(2E,4E,6E,8E,10E)-3,7,11,15-tetramethylhexadeca-2,4,6,8,10,14-hexaen-1-ol
CID 24860841
(4E,6E,8E,10E,12E,14E,16E,18E)-2,6,11,15,19,23-hexamethyltetracosa-2,4,6,8,10,12,14,16,18,22-decaene
CID 58079855
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
[(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-2,6,8,10,12,14,16,18,20,22,24,26,28-tridecaene
CID 73229485
(3E,5Z,7Z,9E)-6,10,14-trimethylpentadeca-3,5,7,9,13-pentaen-2-one
CID 134820096

Frequently Asked Questions

What is the IUPAC name of triphenyl-[(2E,4E,6E,8E,10E)-3,7,11,15-tetramethylhexadeca-2,4,6,8,10,14-hexaenyl]phosphanium?
The IUPAC name of triphenyl-[(2E,4E,6E,8E,10E)-3,7,11,15-tetramethylhexadeca-2,4,6,8,10,14-hexaenyl]phosphanium (CID 71533857) is triphenyl-[(2E,4E,6E,8E,10E)-3,7,11,15-tetramethylhexadeca-2,4,6,8,10,14-hexaenyl]phosphanium.
What is the SMILES notation for triphenyl-[(2E,4E,6E,8E,10E)-3,7,11,15-tetramethylhexadeca-2,4,6,8,10,14-hexaenyl]phosphanium?
The canonical SMILES for triphenyl-[(2E,4E,6E,8E,10E)-3,7,11,15-tetramethylhexadeca-2,4,6,8,10,14-hexaenyl]phosphanium is CC(C)=CCC/C(C)=C/C=C/C(C)=C/C=C/C(C)=C/C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of triphenyl-[(2E,4E,6E,8E,10E)-3,7,11,15-tetramethylhexadeca-2,4,6,8,10,14-hexaenyl]phosphanium?
The InChIKey is PJUFELCCTTUWEB-FILYGVHXSA-N. The full InChI is InChI=1S/C38H44P/c1-32(2)18-15-19-33(3)20-16-21-34(4)22-17-23-35(5)30-31-39(36-24-9-6-10-25-36,37-26-11-7-12-27-37)38-28-13-8-14-29-38/h6-14,16-18,20-30H,15,19,31H2,1-5H3/q+1/b21-16+,23-17+,33-20+,34-22+,35-30+.
What are the key properties of triphenyl-[(2E,4E,6E,8E,10E)-3,7,11,15-tetramethylhexadeca-2,4,6,8,10,14-hexaenyl]phosphanium?
triphenyl-[(2E,4E,6E,8E,10E)-3,7,11,15-tetramethylhexadeca-2,4,6,8,10,14-hexaenyl]phosphanium has a molecular weight of 531.74 g/mol, XLogP of 9.68, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for triphenyl-[(2E,4E,6E,8E,10E)-3,7,11,15-tetramethylhexadeca-2,4,6,8,10,14-hexaenyl]phosphanium is sourced from PubChem (CID 71533857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).