tris(ditert-butylphosphanium);bis(2-isocyano-2-methylpropane);platinum;platinum monohydride

C34H78N2P3Pt3+3 — CID 6394321

IUPACtris(ditert-butylphosphanium);bis(2-isocyano-2-methylpropane);platinum;platinum monohydride
SMILESCC(C)(C)[PH2+]C(C)(C)C.CC(C)(C)[PH2+]C(C)(C)C.CC(C)(C)[PH2+]C(C)(C)C.[C-]#[N+]C(C)(C)C.[C-]#[N+]C(C)(C)C.[Pt].[Pt].[Pt]
InChIInChI=1S/3C8H19P.2C5H9N.3Pt/c3*1-7(2,3)9-8(4,5)6;2*1-5(2,3)6-4;;;/h3*9H,1-6H3;2*1-3H3;;;/p+3
InChIKeyHTFGGKVEKJKLEH-UHFFFAOYSA-Q
MW1193.17 g/mol
LogP12.38
Rot. Bonds

About tris(ditert-butylphosphanium);bis(2-isocyano-2-methylpropane);platinum;platinum monohydride

tris(ditert-butylphosphanium);bis(2-isocyano-2-methylpropane);platinum;platinum monohydride (PubChem CID 6394321) has the molecular formula C34H78N2P3Pt3+3 and a molecular weight of 1193.17 g/mol. Its IUPAC name is tris(ditert-butylphosphanium);bis(2-isocyano-2-methylpropane);platinum;platinum monohydride.

Molecular Properties

Compound Nametris(ditert-butylphosphanium);bis(2-isocyano-2-methylpropane);platinum;platinum monohydride
PubChem CID6394321
Molecular FormulaC34H78N2P3Pt3+3
Molecular Weight1193.17 g/mol
Exact Mass1192.43
IUPAC Nametris(ditert-butylphosphanium);bis(2-isocyano-2-methylpropane);platinum;platinum monohydride
SMILESCC(C)(C)[PH2+]C(C)(C)C.CC(C)(C)[PH2+]C(C)(C)C.CC(C)(C)[PH2+]C(C)(C)C.[C-]#[N+]C(C)(C)C.[C-]#[N+]C(C)(C)C.[Pt].[Pt].[Pt]
InChIInChI=1S/3C8H19P.2C5H9N.3Pt/c3*1-7(2,3)9-8(4,5)6;2*1-5(2,3)6-4;;;/h3*9H,1-6H3;2*1-3H3;;;/p+3
InChIKeyHTFGGKVEKJKLEH-UHFFFAOYSA-Q
XLogP12.38
TPSA8.72 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001193.17
LogP ≤ 512.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tris(ditert-butylphosphanium);bis(2-isocyano-2-methylpropane);platinum;platinum monohydride?
The IUPAC name of tris(ditert-butylphosphanium);bis(2-isocyano-2-methylpropane);platinum;platinum monohydride (CID 6394321) is tris(ditert-butylphosphanium);bis(2-isocyano-2-methylpropane);platinum;platinum monohydride.
What is the SMILES notation for tris(ditert-butylphosphanium);bis(2-isocyano-2-methylpropane);platinum;platinum monohydride?
The canonical SMILES for tris(ditert-butylphosphanium);bis(2-isocyano-2-methylpropane);platinum;platinum monohydride is CC(C)(C)[PH2+]C(C)(C)C.CC(C)(C)[PH2+]C(C)(C)C.CC(C)(C)[PH2+]C(C)(C)C.[C-]#[N+]C(C)(C)C.[C-]#[N+]C(C)(C)C.[Pt].[Pt].[Pt].
What is the InChIKey of tris(ditert-butylphosphanium);bis(2-isocyano-2-methylpropane);platinum;platinum monohydride?
The InChIKey is HTFGGKVEKJKLEH-UHFFFAOYSA-Q. The full InChI is InChI=1S/3C8H19P.2C5H9N.3Pt/c3*1-7(2,3)9-8(4,5)6;2*1-5(2,3)6-4;;;/h3*9H,1-6H3;2*1-3H3;;;/p+3.
What are the key properties of tris(ditert-butylphosphanium);bis(2-isocyano-2-methylpropane);platinum;platinum monohydride?
tris(ditert-butylphosphanium);bis(2-isocyano-2-methylpropane);platinum;platinum monohydride has a molecular weight of 1193.17 g/mol, XLogP of 12.38, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tris(ditert-butylphosphanium);bis(2-isocyano-2-methylpropane);platinum;platinum monohydride is sourced from PubChem (CID 6394321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).