triphenyl(1-phenylnonyl)phosphanium bromide

C33H38BrP — CID 90019945

IUPACtriphenyl(1-phenylnonyl)phosphanium bromide
SMILESCCCCCCCCC(c1ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]
InChIInChI=1S/C33H38P.BrH/c1-2-3-4-5-6-19-28-33(29-20-11-7-12-21-29)34(30-22-13-8-14-23-30,31-24-15-9-16-25-31)32-26-17-10-18-27-32;/h7-18,20-27,33H,2-6,19,28H2,1H3;1H/q+1;/p-1
InChIKeyYCKZSKIZWQONTH-UHFFFAOYSA-M
MW545.55 g/mol
LogP5.48
Rot. Bonds12

About triphenyl(1-phenylnonyl)phosphanium bromide

triphenyl(1-phenylnonyl)phosphanium bromide (PubChem CID 90019945) has the molecular formula C33H38BrP and a molecular weight of 545.55 g/mol. Its IUPAC name is triphenyl(1-phenylnonyl)phosphanium bromide.

Molecular Properties

Compound Nametriphenyl(1-phenylnonyl)phosphanium bromide
PubChem CID90019945
Molecular FormulaC33H38BrP
Molecular Weight545.55 g/mol
Exact Mass544.19
IUPAC Nametriphenyl(1-phenylnonyl)phosphanium bromide
SMILESCCCCCCCCC(c1ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]
InChIInChI=1S/C33H38P.BrH/c1-2-3-4-5-6-19-28-33(29-20-11-7-12-21-29)34(30-22-13-8-14-23-30,31-24-15-9-16-25-31)32-26-17-10-18-27-32;/h7-18,20-27,33H,2-6,19,28H2,1H3;1H/q+1;/p-1
InChIKeyYCKZSKIZWQONTH-UHFFFAOYSA-M
XLogP5.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500545.55
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

[(2R)-heptan-2-yl]-triphenylphosphanium
CID 98534307
(3-bromo-1-phenylpropyl)-triphenylphosphanium bromide
CID 57375855
icosan-10-ylbenzene
CID 54351357
hentriacontan-13-ylbenzene
CID 91306613
nonyl(triphenyl)phosphanium;phosphane;bromide
CID 174988859
(1R)-1-phenyloctan-1-ol
CID 12794259
hexyl(triphenyl)phosphanium
CID 2724570
1-(1-phenyloctadecoxy)octadecylbenzene
CID 175415236
1-phenyldecan-1-amine
CID 43175860
1-phenylheptylphosphane
CID 174874892
1-phenyldodecane-1-diazonium
CID 118059885
triphenyl(undecyl)phosphanium chloride
CID 22921220

Frequently Asked Questions

What is the IUPAC name of triphenyl(1-phenylnonyl)phosphanium bromide?
The IUPAC name of triphenyl(1-phenylnonyl)phosphanium bromide (CID 90019945) is triphenyl(1-phenylnonyl)phosphanium bromide.
What is the SMILES notation for triphenyl(1-phenylnonyl)phosphanium bromide?
The canonical SMILES for triphenyl(1-phenylnonyl)phosphanium bromide is CCCCCCCCC(c1ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-].
What is the InChIKey of triphenyl(1-phenylnonyl)phosphanium bromide?
The InChIKey is YCKZSKIZWQONTH-UHFFFAOYSA-M. The full InChI is InChI=1S/C33H38P.BrH/c1-2-3-4-5-6-19-28-33(29-20-11-7-12-21-29)34(30-22-13-8-14-23-30,31-24-15-9-16-25-31)32-26-17-10-18-27-32;/h7-18,20-27,33H,2-6,19,28H2,1H3;1H/q+1;/p-1.
What are the key properties of triphenyl(1-phenylnonyl)phosphanium bromide?
triphenyl(1-phenylnonyl)phosphanium bromide has a molecular weight of 545.55 g/mol, XLogP of 5.48, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for triphenyl(1-phenylnonyl)phosphanium bromide is sourced from PubChem (CID 90019945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).