triphenylphosphane;octahydrochloride

C18H23Cl8P — CID 172751742

IUPACtriphenylphosphane;octahydrochloride
SMILESCl.Cl.Cl.Cl.Cl.Cl.Cl.Cl.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H15P.8ClH/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;;;;;;;/h1-15H;8*1H
InChIKeyKLVBVUFNETWLGD-UHFFFAOYSA-N
MW553.98 g/mol
LogP6.82
Rot. Bonds3

About triphenylphosphane;octahydrochloride

triphenylphosphane;octahydrochloride (PubChem CID 172751742) has the molecular formula C18H23Cl8P and a molecular weight of 553.98 g/mol. Its IUPAC name is triphenylphosphane;octahydrochloride.

Molecular Properties

Compound Nametriphenylphosphane;octahydrochloride
PubChem CID172751742
Molecular FormulaC18H23Cl8P
Molecular Weight553.98 g/mol
Exact Mass549.90
IUPAC Nametriphenylphosphane;octahydrochloride
SMILESCl.Cl.Cl.Cl.Cl.Cl.Cl.Cl.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H15P.8ClH/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;;;;;;;/h1-15H;8*1H
InChIKeyKLVBVUFNETWLGD-UHFFFAOYSA-N
XLogP6.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500553.98
LogP ≤ 56.82
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

tris(triphenylphosphane);trihydrochloride
CID 173282987
tetrakis(triphenylphosphane);dihydrochloride
CID 172855409
triphenylphosphane
CID 139056248
palladium;bis(triphenylphosphane)
CID 10122028
tris(triphenylphosphane);hydrobromide
CID 172722268
iron dihydride;tetrakis(triphenylphosphane)
CID 172730134
copper monohydride;hexakis(triphenylphosphane)
CID 134992255
silane;triphenylphosphane
CID 161037280
plutonium;triphenylphosphane
CID 161300359
triphenylphosphane;yttrium
CID 139917776
CID 87948921
CID 87948921
platinum;triphenylphosphane
CID 159264630

Frequently Asked Questions

What is the IUPAC name of triphenylphosphane;octahydrochloride?
The IUPAC name of triphenylphosphane;octahydrochloride (CID 172751742) is triphenylphosphane;octahydrochloride.
What is the SMILES notation for triphenylphosphane;octahydrochloride?
The canonical SMILES for triphenylphosphane;octahydrochloride is Cl.Cl.Cl.Cl.Cl.Cl.Cl.Cl.c1ccc(P(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of triphenylphosphane;octahydrochloride?
The InChIKey is KLVBVUFNETWLGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15P.8ClH/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;;;;;;;/h1-15H;8*1H.
What are the key properties of triphenylphosphane;octahydrochloride?
triphenylphosphane;octahydrochloride has a molecular weight of 553.98 g/mol, XLogP of 6.82, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for triphenylphosphane;octahydrochloride is sourced from PubChem (CID 172751742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).