bis(2,4-diphenylbut-3-yn-2-ol);platinum

C32H28O2Pt — CID 11061246

IUPACbis(2,4-diphenylbut-3-yn-2-ol);platinum
SMILESCC(O)(C#Cc1ccccc1)c1ccccc1.CC(O)(C#Cc1ccccc1)c1ccccc1.[Pt]
InChIInChI=1S/2C16H14O.Pt/c2*1-16(17,15-10-6-3-7-11-15)13-12-14-8-4-2-5-9-14;/h2*2-11,17H,1H3;
InChIKeySKPUNABNYJOYEK-UHFFFAOYSA-N
MW639.65 g/mol
LogP5.89
Rot. Bonds2

About bis(2,4-diphenylbut-3-yn-2-ol);platinum

bis(2,4-diphenylbut-3-yn-2-ol);platinum (PubChem CID 11061246) has the molecular formula C32H28O2Pt and a molecular weight of 639.65 g/mol. Its IUPAC name is bis(2,4-diphenylbut-3-yn-2-ol);platinum.

Molecular Properties

Compound Namebis(2,4-diphenylbut-3-yn-2-ol);platinum
PubChem CID11061246
Molecular FormulaC32H28O2Pt
Molecular Weight639.65 g/mol
Exact Mass639.17
IUPAC Namebis(2,4-diphenylbut-3-yn-2-ol);platinum
SMILESCC(O)(C#Cc1ccccc1)c1ccccc1.CC(O)(C#Cc1ccccc1)c1ccccc1.[Pt]
InChIInChI=1S/2C16H14O.Pt/c2*1-16(17,15-10-6-3-7-11-15)13-12-14-8-4-2-5-9-14;/h2*2-11,17H,1H3;
InChIKeySKPUNABNYJOYEK-UHFFFAOYSA-N
XLogP5.89
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500639.65
LogP ≤ 55.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze bis(2,4-diphenylbut-3-yn-2-ol);platinum 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

4-(4-methylsulfanylphenyl)-2-phenylbut-3-yn-2-ol
CID 146003701
1-[4-(3-hydroxy-3-phenylbut-1-ynyl)phenyl]ethanone
CID 11184641
(2S)-2-naphthalen-2-yl-4-phenylbut-3-yn-2-ol
CID 40500418
2-phenyl-4-(3,4,5-trifluorophenyl)but-3-yn-2-ol
CID 146003785
2,4-diphenylbut-3-yn-2-ylbenzene
CID 13072781
4-(3,4-dimethoxyphenyl)-2-phenylbut-3-yn-2-ol
CID 146003165
2-amino-4-phenylbut-3-yn-2-ol
CID 143801475
4-(3-chloro-4-fluorophenyl)-2-phenylbut-3-yn-2-ol
CID 146002834
(2R)-2-(2-bromophenyl)-4-phenylbut-3-yn-2-ol
CID 11289604
5,5,5-trifluoro-2-phenylpent-3-yn-2-ol
CID 4084211
4-(6-methoxynaphthalen-2-yl)-2-phenylbut-3-yn-2-ol
CID 146003588
(3S)-1,3-diphenylpent-1-yn-3-ol
CID 95185650

Frequently Asked Questions

What is the IUPAC name of bis(2,4-diphenylbut-3-yn-2-ol);platinum?
The IUPAC name of bis(2,4-diphenylbut-3-yn-2-ol);platinum (CID 11061246) is bis(2,4-diphenylbut-3-yn-2-ol);platinum.
What is the SMILES notation for bis(2,4-diphenylbut-3-yn-2-ol);platinum?
The canonical SMILES for bis(2,4-diphenylbut-3-yn-2-ol);platinum is CC(O)(C#Cc1ccccc1)c1ccccc1.CC(O)(C#Cc1ccccc1)c1ccccc1.[Pt].
What is the InChIKey of bis(2,4-diphenylbut-3-yn-2-ol);platinum?
The InChIKey is SKPUNABNYJOYEK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C16H14O.Pt/c2*1-16(17,15-10-6-3-7-11-15)13-12-14-8-4-2-5-9-14;/h2*2-11,17H,1H3;.
What are the key properties of bis(2,4-diphenylbut-3-yn-2-ol);platinum?
bis(2,4-diphenylbut-3-yn-2-ol);platinum has a molecular weight of 639.65 g/mol, XLogP of 5.89, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,4-diphenylbut-3-yn-2-ol);platinum is sourced from PubChem (CID 11061246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).