bis(ethynyl(trimethyl)silane);platinum(2+);bis(triphenylphosphane)

C46H48P2PtSi2 — CID 12030059

IUPACbis(ethynyl(trimethyl)silane);platinum(2+);bis(triphenylphosphane)
SMILES[C-]#C[Si](C)(C)C.[C-]#C[Si](C)(C)C.[Pt+2].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/2C18H15P.2C5H9Si.Pt/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2*1-5-6(2,3)4;/h2*1-15H;2*2-4H3;/q;;2*-1;+2
InChIKeyBQTVWHPYJDKPKU-UHFFFAOYSA-N
MW914.09 g/mol
LogP9.79
Rot. Bonds6

About bis(ethynyl(trimethyl)silane);platinum(2+);bis(triphenylphosphane)

bis(ethynyl(trimethyl)silane);platinum(2+);bis(triphenylphosphane) (PubChem CID 12030059) has the molecular formula C46H48P2PtSi2 and a molecular weight of 914.09 g/mol. Its IUPAC name is bis(ethynyl(trimethyl)silane);platinum(2+);bis(triphenylphosphane).

Molecular Properties

Compound Namebis(ethynyl(trimethyl)silane);platinum(2+);bis(triphenylphosphane)
PubChem CID12030059
Molecular FormulaC46H48P2PtSi2
Molecular Weight914.09 g/mol
Exact Mass913.24
IUPAC Namebis(ethynyl(trimethyl)silane);platinum(2+);bis(triphenylphosphane)
SMILES[C-]#C[Si](C)(C)C.[C-]#C[Si](C)(C)C.[Pt+2].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/2C18H15P.2C5H9Si.Pt/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2*1-5-6(2,3)4;/h2*1-15H;2*2-4H3;/q;;2*-1;+2
InChIKeyBQTVWHPYJDKPKU-UHFFFAOYSA-N
XLogP9.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500914.09
LogP ≤ 59.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

ethane;triphenylphosphane
CID 90942156
carbanide;platinum(2+);bis(triphenylphosphane)
CID 11007152
bis(2-methylbut-3-yn-2-ol);platinum(2+);bis(triphenylphosphane)
CID 139238791
triphenylphosphane
CID 139056248
CID 87948921
CID 87948921
iron dihydride;tetrakis(triphenylphosphane)
CID 172730134
tetrakis(triphenylphosphane);dihydrochloride
CID 172855409
triphenylphosphane;yttrium
CID 139917776
copper monohydride;hexakis(triphenylphosphane)
CID 134992255
silane;triphenylphosphane
CID 161037280
plutonium;triphenylphosphane
CID 161300359
triphenylphosphane;octahydrochloride
CID 172751742

Frequently Asked Questions

What is the IUPAC name of bis(ethynyl(trimethyl)silane);platinum(2+);bis(triphenylphosphane)?
The IUPAC name of bis(ethynyl(trimethyl)silane);platinum(2+);bis(triphenylphosphane) (CID 12030059) is bis(ethynyl(trimethyl)silane);platinum(2+);bis(triphenylphosphane).
What is the SMILES notation for bis(ethynyl(trimethyl)silane);platinum(2+);bis(triphenylphosphane)?
The canonical SMILES for bis(ethynyl(trimethyl)silane);platinum(2+);bis(triphenylphosphane) is [C-]#C[Si](C)(C)C.[C-]#C[Si](C)(C)C.[Pt+2].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of bis(ethynyl(trimethyl)silane);platinum(2+);bis(triphenylphosphane)?
The InChIKey is BQTVWHPYJDKPKU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C18H15P.2C5H9Si.Pt/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2*1-5-6(2,3)4;/h2*1-15H;2*2-4H3;/q;;2*-1;+2.
What are the key properties of bis(ethynyl(trimethyl)silane);platinum(2+);bis(triphenylphosphane)?
bis(ethynyl(trimethyl)silane);platinum(2+);bis(triphenylphosphane) has a molecular weight of 914.09 g/mol, XLogP of 9.79, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(ethynyl(trimethyl)silane);platinum(2+);bis(triphenylphosphane) is sourced from PubChem (CID 12030059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).