triphenyl-[(3R,7R)-3,7,11-trimethyldodecyl]phosphanium bromide

C33H46BrP — CID 10840468

IUPACtriphenyl-[(3R,7R)-3,7,11-trimethyldodecyl]phosphanium bromide
SMILESCC(C)CCC[C@@H](C)CCC[C@@H](C)CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]
InChIInChI=1S/C33H46P.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;/h5-13,20-25,28-30H,14-19,26-27H2,1-4H3;1H/q+1;/p-1/t29-,30-;/m1./s1
InChIKeyYHVCTQCOUAVUQV-GAQUOPITSA-M
MW553.61 g/mol
LogP5.64
Rot. Bonds14

About triphenyl-[(3R,7R)-3,7,11-trimethyldodecyl]phosphanium bromide

triphenyl-[(3R,7R)-3,7,11-trimethyldodecyl]phosphanium bromide (PubChem CID 10840468) has the molecular formula C33H46BrP and a molecular weight of 553.61 g/mol. Its IUPAC name is triphenyl-[(3R,7R)-3,7,11-trimethyldodecyl]phosphanium bromide.

Molecular Properties

Compound Nametriphenyl-[(3R,7R)-3,7,11-trimethyldodecyl]phosphanium bromide
PubChem CID10840468
Molecular FormulaC33H46BrP
Molecular Weight553.61 g/mol
Exact Mass552.25
IUPAC Nametriphenyl-[(3R,7R)-3,7,11-trimethyldodecyl]phosphanium bromide
SMILESCC(C)CCC[C@@H](C)CCC[C@@H](C)CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]
InChIInChI=1S/C33H46P.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;/h5-13,20-25,28-30H,14-19,26-27H2,1-4H3;1H/q+1;/p-1/t29-,30-;/m1./s1
InChIKeyYHVCTQCOUAVUQV-GAQUOPITSA-M
XLogP5.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds14
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500553.61
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

triphenyl(2-triphenylphosphaniumylethyl)phosphanium dibromide
CID 2785215
triphenyl(7-triphenylphosphaniumylheptyl)phosphanium dibromide
CID 19082496
palladium;triphenyl(2-triphenylphosphaniumylethyl)phosphanium
CID 87290696
triphenyl(4-sulfanylbutyl)phosphanium bromide
CID 71353664
triphenyl(3-triphenylphosphaniumylpropyl)phosphanium;hydrobromide
CID 22210440
3-methyl-5-triphenylphosphaniumylpentanoate
CID 172859612
[(3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylbutyl]-triphenylphosphanium
CID 11410748
nonyl(triphenyl)phosphanium;phosphane;bromide
CID 174988859
triphenyl(2-triphenylphosphaniumylethyl)phosphanium diperiodate
CID 139080930
N-ethyl-N-(3,7,11,15-tetramethylhexadecyl)aniline
CID 59671995
1,4-bis[(3R)-3,7-dimethyloctyl]benzene
CID 94774977
hexyl(triphenyl)phosphanium
CID 2724570

Frequently Asked Questions

What is the IUPAC name of triphenyl-[(3R,7R)-3,7,11-trimethyldodecyl]phosphanium bromide?
The IUPAC name of triphenyl-[(3R,7R)-3,7,11-trimethyldodecyl]phosphanium bromide (CID 10840468) is triphenyl-[(3R,7R)-3,7,11-trimethyldodecyl]phosphanium bromide.
What is the SMILES notation for triphenyl-[(3R,7R)-3,7,11-trimethyldodecyl]phosphanium bromide?
The canonical SMILES for triphenyl-[(3R,7R)-3,7,11-trimethyldodecyl]phosphanium bromide is CC(C)CCC[C@@H](C)CCC[C@@H](C)CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-].
What is the InChIKey of triphenyl-[(3R,7R)-3,7,11-trimethyldodecyl]phosphanium bromide?
The InChIKey is YHVCTQCOUAVUQV-GAQUOPITSA-M. The full InChI is InChI=1S/C33H46P.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;/h5-13,20-25,28-30H,14-19,26-27H2,1-4H3;1H/q+1;/p-1/t29-,30-;/m1./s1.
What are the key properties of triphenyl-[(3R,7R)-3,7,11-trimethyldodecyl]phosphanium bromide?
triphenyl-[(3R,7R)-3,7,11-trimethyldodecyl]phosphanium bromide has a molecular weight of 553.61 g/mol, XLogP of 5.64, 14 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for triphenyl-[(3R,7R)-3,7,11-trimethyldodecyl]phosphanium bromide is sourced from PubChem (CID 10840468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).