iron dihydride;tetrakis(triphenylphosphane)

C72H60FeP4 — CID 172730134

IUPACiron dihydride;tetrakis(triphenylphosphane)
SMILES[Fe].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/4C18H15P.Fe/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;
InChIKeyVSHSISIQAKBMHA-UHFFFAOYSA-N
MW1105.01 g/mol
LogP13.78
Rot. Bonds12

About iron dihydride;tetrakis(triphenylphosphane)

iron dihydride;tetrakis(triphenylphosphane) (PubChem CID 172730134) has the molecular formula C72H60FeP4 and a molecular weight of 1105.01 g/mol. Its IUPAC name is iron dihydride;tetrakis(triphenylphosphane).

Molecular Properties

Compound Nameiron dihydride;tetrakis(triphenylphosphane)
PubChem CID172730134
Molecular FormulaC72H60FeP4
Molecular Weight1105.01 g/mol
Exact Mass1104.30
IUPAC Nameiron dihydride;tetrakis(triphenylphosphane)
SMILES[Fe].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/4C18H15P.Fe/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;
InChIKeyVSHSISIQAKBMHA-UHFFFAOYSA-N
XLogP13.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms77
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001105.01
LogP ≤ 513.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

triphenylphosphane
CID 139056248
palladium;bis(triphenylphosphane)
CID 10122028
tris(triphenylphosphane);hydrobromide
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tris(triphenylphosphane);trihydrochloride
CID 173282987
tetrakis(triphenylphosphane);dihydrochloride
CID 172855409
triphenylphosphane;yttrium
CID 139917776
copper monohydride;hexakis(triphenylphosphane)
CID 134992255
silane;triphenylphosphane
CID 161037280
plutonium;triphenylphosphane
CID 161300359
CID 87948921
CID 87948921
triphenylphosphane;octahydrochloride
CID 172751742
nickel;tetrakis(triphenylphosphane)
CID 161328494

Frequently Asked Questions

What is the IUPAC name of iron dihydride;tetrakis(triphenylphosphane)?
The IUPAC name of iron dihydride;tetrakis(triphenylphosphane) (CID 172730134) is iron dihydride;tetrakis(triphenylphosphane).
What is the SMILES notation for iron dihydride;tetrakis(triphenylphosphane)?
The canonical SMILES for iron dihydride;tetrakis(triphenylphosphane) is [Fe].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 iron dihydride;tetrakis(triphenylphosphane)?
The InChIKey is VSHSISIQAKBMHA-UHFFFAOYSA-N. The full InChI is InChI=1S/4C18H15P.Fe/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;.
What are the key properties of iron dihydride;tetrakis(triphenylphosphane)?
iron dihydride;tetrakis(triphenylphosphane) has a molecular weight of 1105.01 g/mol, XLogP of 13.78, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for iron dihydride;tetrakis(triphenylphosphane) is sourced from PubChem (CID 172730134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).