tris(triphenylphosphane);trihydrochloride

C54H48Cl3P3 — CID 173282987

IUPACtris(triphenylphosphane);trihydrochloride
SMILESCl.Cl.Cl.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/3C18H15P.3ClH/c3*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;;/h3*1-15H;3*1H
InChIKeySGVFWBKAXQPNMV-UHFFFAOYSA-N
MW896.26 g/mol
LogP11.60
Rot. Bonds9

About tris(triphenylphosphane);trihydrochloride

tris(triphenylphosphane);trihydrochloride (PubChem CID 173282987) has the molecular formula C54H48Cl3P3 and a molecular weight of 896.26 g/mol. Its IUPAC name is tris(triphenylphosphane);trihydrochloride.

Molecular Properties

Compound Nametris(triphenylphosphane);trihydrochloride
PubChem CID173282987
Molecular FormulaC54H48Cl3P3
Molecular Weight896.26 g/mol
Exact Mass894.20
IUPAC Nametris(triphenylphosphane);trihydrochloride
SMILESCl.Cl.Cl.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/3C18H15P.3ClH/c3*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;;/h3*1-15H;3*1H
InChIKeySGVFWBKAXQPNMV-UHFFFAOYSA-N
XLogP11.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500896.26
LogP ≤ 511.60
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

tetrakis(triphenylphosphane);dihydrochloride
CID 172855409
triphenylphosphane;octahydrochloride
CID 172751742
triphenylphosphane
CID 139056248
iron dihydride;tetrakis(triphenylphosphane)
CID 172730134
palladium;bis(triphenylphosphane)
CID 10122028
tris(triphenylphosphane);hydrobromide
CID 172722268
copper monohydride;hexakis(triphenylphosphane)
CID 134992255
silane;triphenylphosphane
CID 161037280
plutonium;triphenylphosphane
CID 161300359
CID 87948921
CID 87948921
triphenylphosphane;yttrium
CID 139917776
platinum;triphenylphosphane
CID 159264630

Frequently Asked Questions

What is the IUPAC name of tris(triphenylphosphane);trihydrochloride?
The IUPAC name of tris(triphenylphosphane);trihydrochloride (CID 173282987) is tris(triphenylphosphane);trihydrochloride.
What is the SMILES notation for tris(triphenylphosphane);trihydrochloride?
The canonical SMILES for tris(triphenylphosphane);trihydrochloride is Cl.Cl.Cl.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of tris(triphenylphosphane);trihydrochloride?
The InChIKey is SGVFWBKAXQPNMV-UHFFFAOYSA-N. The full InChI is InChI=1S/3C18H15P.3ClH/c3*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;;/h3*1-15H;3*1H.
What are the key properties of tris(triphenylphosphane);trihydrochloride?
tris(triphenylphosphane);trihydrochloride has a molecular weight of 896.26 g/mol, XLogP of 11.60, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tris(triphenylphosphane);trihydrochloride is sourced from PubChem (CID 173282987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).