tetrakis(triphenylphosphane);dihydrochloride

C72H62Cl2P4 — CID 172855409

IUPACtetrakis(triphenylphosphane);dihydrochloride
SMILESCl.Cl.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/4C18H15P.2ClH/c4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;/h4*1-15H;2*1H
InChIKeyYQDXOUYLDMIJRH-UHFFFAOYSA-N
MW1122.09 g/mol
LogP14.62
Rot. Bonds12

About tetrakis(triphenylphosphane);dihydrochloride

tetrakis(triphenylphosphane);dihydrochloride (PubChem CID 172855409) has the molecular formula C72H62Cl2P4 and a molecular weight of 1122.09 g/mol. Its IUPAC name is tetrakis(triphenylphosphane);dihydrochloride.

Molecular Properties

Compound Nametetrakis(triphenylphosphane);dihydrochloride
PubChem CID172855409
Molecular FormulaC72H62Cl2P4
Molecular Weight1122.09 g/mol
Exact Mass1120.32
IUPAC Nametetrakis(triphenylphosphane);dihydrochloride
SMILESCl.Cl.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/4C18H15P.2ClH/c4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;/h4*1-15H;2*1H
InChIKeyYQDXOUYLDMIJRH-UHFFFAOYSA-N
XLogP14.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001122.09
LogP ≤ 514.62
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
triphenylphosphane;octahydrochloride
CID 172751742
triphenylphosphane
CID 139056248
iron dihydride;tetrakis(triphenylphosphane)
CID 172730134
triphenylphosphane;yttrium
CID 139917776
copper monohydride;hexakis(triphenylphosphane)
CID 134992255
silane;triphenylphosphane
CID 161037280
plutonium;triphenylphosphane
CID 161300359
CID 87948921
CID 87948921
palladium;bis(triphenylphosphane)
CID 10122028
tris(triphenylphosphane);hydrobromide
CID 172722268
platinum;triphenylphosphane
CID 159264630

Frequently Asked Questions

What is the IUPAC name of tetrakis(triphenylphosphane);dihydrochloride?
The IUPAC name of tetrakis(triphenylphosphane);dihydrochloride (CID 172855409) is tetrakis(triphenylphosphane);dihydrochloride.
What is the SMILES notation for tetrakis(triphenylphosphane);dihydrochloride?
The canonical SMILES for tetrakis(triphenylphosphane);dihydrochloride is Cl.Cl.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of tetrakis(triphenylphosphane);dihydrochloride?
The InChIKey is YQDXOUYLDMIJRH-UHFFFAOYSA-N. The full InChI is InChI=1S/4C18H15P.2ClH/c4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;/h4*1-15H;2*1H.
What are the key properties of tetrakis(triphenylphosphane);dihydrochloride?
tetrakis(triphenylphosphane);dihydrochloride has a molecular weight of 1122.09 g/mol, XLogP of 14.62, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(triphenylphosphane);dihydrochloride is sourced from PubChem (CID 172855409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).