bis(2-methylbut-3-yn-2-ol);platinum(2+);bis(triphenylphosphane)

C46H44O2P2Pt — CID 139238791

IUPACbis(2-methylbut-3-yn-2-ol);platinum(2+);bis(triphenylphosphane)
SMILES[C-]#CC(C)(C)O.[C-]#CC(C)(C)O.[Pt+2].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/2C18H15P.2C5H7O.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*1-4-5(2,3)6;/h2*1-15H;2*6H,2-3H3;/q;;2*-1;+2
InChIKeyHQJMJYMSDNQWBQ-UHFFFAOYSA-N
MW885.88 g/mol
LogP7.58
Rot. Bonds6

About bis(2-methylbut-3-yn-2-ol);platinum(2+);bis(triphenylphosphane)

bis(2-methylbut-3-yn-2-ol);platinum(2+);bis(triphenylphosphane) (PubChem CID 139238791) has the molecular formula C46H44O2P2Pt and a molecular weight of 885.88 g/mol. Its IUPAC name is bis(2-methylbut-3-yn-2-ol);platinum(2+);bis(triphenylphosphane).

Molecular Properties

Compound Namebis(2-methylbut-3-yn-2-ol);platinum(2+);bis(triphenylphosphane)
PubChem CID139238791
Molecular FormulaC46H44O2P2Pt
Molecular Weight885.88 g/mol
Exact Mass885.25
IUPAC Namebis(2-methylbut-3-yn-2-ol);platinum(2+);bis(triphenylphosphane)
SMILES[C-]#CC(C)(C)O.[C-]#CC(C)(C)O.[Pt+2].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/2C18H15P.2C5H7O.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*1-4-5(2,3)6;/h2*1-15H;2*6H,2-3H3;/q;;2*-1;+2
InChIKeyHQJMJYMSDNQWBQ-UHFFFAOYSA-N
XLogP7.58
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500885.88
LogP ≤ 57.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze bis(2-methylbut-3-yn-2-ol);platinum(2+);bis(triphenylphosphane) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,2-dimethylpropane;triphenylphosphane
CID 143924519
bis(ethynyl(trimethyl)silane);platinum(2+);bis(triphenylphosphane)
CID 12030059
ethane;triphenylphosphane
CID 90942156
carbanide;platinum(2+);bis(triphenylphosphane)
CID 11007152
triphenylphosphane
CID 139056248
nickel;2,2,7,7-tetramethylocta-3,5-diyne;bis(triphenylphosphane)
CID 134992384
copper monohydride;hexakis(triphenylphosphane)
CID 134992255
triphenylphosphane;yttrium
CID 139917776
tetrakis(triphenylphosphane);dihydrochloride
CID 172855409
pentakis(palladium);hexadecakis(triphenylphosphane)
CID 173116735
silane;triphenylphosphane
CID 161037280
plutonium;triphenylphosphane
CID 161300359

Frequently Asked Questions

What is the IUPAC name of bis(2-methylbut-3-yn-2-ol);platinum(2+);bis(triphenylphosphane)?
The IUPAC name of bis(2-methylbut-3-yn-2-ol);platinum(2+);bis(triphenylphosphane) (CID 139238791) is bis(2-methylbut-3-yn-2-ol);platinum(2+);bis(triphenylphosphane).
What is the SMILES notation for bis(2-methylbut-3-yn-2-ol);platinum(2+);bis(triphenylphosphane)?
The canonical SMILES for bis(2-methylbut-3-yn-2-ol);platinum(2+);bis(triphenylphosphane) is [C-]#CC(C)(C)O.[C-]#CC(C)(C)O.[Pt+2].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of bis(2-methylbut-3-yn-2-ol);platinum(2+);bis(triphenylphosphane)?
The InChIKey is HQJMJYMSDNQWBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C18H15P.2C5H7O.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*1-4-5(2,3)6;/h2*1-15H;2*6H,2-3H3;/q;;2*-1;+2.
What are the key properties of bis(2-methylbut-3-yn-2-ol);platinum(2+);bis(triphenylphosphane)?
bis(2-methylbut-3-yn-2-ol);platinum(2+);bis(triphenylphosphane) has a molecular weight of 885.88 g/mol, XLogP of 7.58, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-methylbut-3-yn-2-ol);platinum(2+);bis(triphenylphosphane) is sourced from PubChem (CID 139238791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).