heptatriacontyl(trimethyl)phosphanium;hexatriacontyl(trimethyl)phosphanium;dibromide

C79H166Br2P2 — CID 158251637

IUPACheptatriacontyl(trimethyl)phosphanium;hexatriacontyl(trimethyl)phosphanium;dibromide
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC[P+](C)(C)C.CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC[P+](C)(C)C.[Br-].[Br-]
InChIInChI=1S/C40H84P.C39H82P.2BrH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-40-41(2,3)4;1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-40(2,3)4;;/h5-40H2,1-4H3;5-39H2,1-4H3;2*1H/q2*+1;;/p-2
InChIKeyGGUANJZZVXRIAE-UHFFFAOYSA-L
MW1337.95 g/mol
LogP24.75
Rot. Bonds71

About heptatriacontyl(trimethyl)phosphanium;hexatriacontyl(trimethyl)phosphanium;dibromide

heptatriacontyl(trimethyl)phosphanium;hexatriacontyl(trimethyl)phosphanium;dibromide (PubChem CID 158251637) has the molecular formula C79H166Br2P2 and a molecular weight of 1337.95 g/mol. Its IUPAC name is heptatriacontyl(trimethyl)phosphanium;hexatriacontyl(trimethyl)phosphanium;dibromide.

Molecular Properties

Compound Nameheptatriacontyl(trimethyl)phosphanium;hexatriacontyl(trimethyl)phosphanium;dibromide
PubChem CID158251637
Molecular FormulaC79H166Br2P2
Molecular Weight1337.95 g/mol
Exact Mass1335.08
IUPAC Nameheptatriacontyl(trimethyl)phosphanium;hexatriacontyl(trimethyl)phosphanium;dibromide
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC[P+](C)(C)C.CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC[P+](C)(C)C.[Br-].[Br-]
InChIInChI=1S/C40H84P.C39H82P.2BrH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-40-41(2,3)4;1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-40(2,3)4;;/h5-40H2,1-4H3;5-39H2,1-4H3;2*1H/q2*+1;;/p-2
InChIKeyGGUANJZZVXRIAE-UHFFFAOYSA-L
XLogP24.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds71
Heavy Atoms83
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001337.95
LogP ≤ 524.75
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

dopentacontyl(trimethyl)phosphanium bromide
CID 118223258
hexyl(trimethyl)phosphanium bromide
CID 87777909
trimethyl(tritriacontyl)phosphanium
CID 118223234
trimethyl(tritetracontyl)phosphanium
CID 157055900
henicosyl(trimethyl)phosphanium chloride
CID 118223391
hexacosyl(trimethyl)phosphanium chloride
CID 118223241
cyanamide;trimethyl(octyl)phosphanium
CID 87573111
decyl-dimethyl-nonylphosphanium
CID 87732648
dodecyl-diethyl-methylphosphanium bromide
CID 162058265
hydrogen sulfite;trimethyl(octyl)phosphanium
CID 173242970
trihexadecyl(methyl)phosphanium
CID 22750516
triheptyl(methyl)phosphanium
CID 87447401

Frequently Asked Questions

What is the IUPAC name of heptatriacontyl(trimethyl)phosphanium;hexatriacontyl(trimethyl)phosphanium;dibromide?
The IUPAC name of heptatriacontyl(trimethyl)phosphanium;hexatriacontyl(trimethyl)phosphanium;dibromide (CID 158251637) is heptatriacontyl(trimethyl)phosphanium;hexatriacontyl(trimethyl)phosphanium;dibromide.
What is the SMILES notation for heptatriacontyl(trimethyl)phosphanium;hexatriacontyl(trimethyl)phosphanium;dibromide?
The canonical SMILES for heptatriacontyl(trimethyl)phosphanium;hexatriacontyl(trimethyl)phosphanium;dibromide is CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC[P+](C)(C)C.CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC[P+](C)(C)C.[Br-].[Br-].
What is the InChIKey of heptatriacontyl(trimethyl)phosphanium;hexatriacontyl(trimethyl)phosphanium;dibromide?
The InChIKey is GGUANJZZVXRIAE-UHFFFAOYSA-L. The full InChI is InChI=1S/C40H84P.C39H82P.2BrH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-40-41(2,3)4;1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-40(2,3)4;;/h5-40H2,1-4H3;5-39H2,1-4H3;2*1H/q2*+1;;/p-2.
What are the key properties of heptatriacontyl(trimethyl)phosphanium;hexatriacontyl(trimethyl)phosphanium;dibromide?
heptatriacontyl(trimethyl)phosphanium;hexatriacontyl(trimethyl)phosphanium;dibromide has a molecular weight of 1337.95 g/mol, XLogP of 24.75, 71 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for heptatriacontyl(trimethyl)phosphanium;hexatriacontyl(trimethyl)phosphanium;dibromide is sourced from PubChem (CID 158251637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).