(Z)-1-phenyl-3-tris(2-methyl-2-phenylpropyl)stannylprop-2-en-1-one

C39H46OSn — CID 11262273

IUPAC(Z)-1-phenyl-3-tris(2-methyl-2-phenylpropyl)stannylprop-2-en-1-one
SMILESCC(C)(C[Sn](/C=C\C(=O)c1ccccc1)(CC(C)(C)c1ccccc1)CC(C)(C)c1ccccc1)c1ccccc1
InChIInChI=1S/3C10H13.C9H7O.Sn/c3*1-10(2,3)9-7-5-4-6-8-9;1-2-9(10)8-6-4-3-5-7-8;/h3*4-8H,1H2,2-3H3;1-7H;
InChIKeyYBDACACAVMVLDX-UHFFFAOYSA-N
MW649.51 g/mol
LogP10.35
Rot. Bonds12

About (Z)-1-phenyl-3-tris(2-methyl-2-phenylpropyl)stannylprop-2-en-1-one

(Z)-1-phenyl-3-tris(2-methyl-2-phenylpropyl)stannylprop-2-en-1-one (PubChem CID 11262273) has the molecular formula C39H46OSn and a molecular weight of 649.51 g/mol. Its IUPAC name is (Z)-1-phenyl-3-tris(2-methyl-2-phenylpropyl)stannylprop-2-en-1-one.

Molecular Properties

Compound Name(Z)-1-phenyl-3-tris(2-methyl-2-phenylpropyl)stannylprop-2-en-1-one
PubChem CID11262273
Molecular FormulaC39H46OSn
Molecular Weight649.51 g/mol
Exact Mass650.26
IUPAC Name(Z)-1-phenyl-3-tris(2-methyl-2-phenylpropyl)stannylprop-2-en-1-one
SMILESCC(C)(C[Sn](/C=C\C(=O)c1ccccc1)(CC(C)(C)c1ccccc1)CC(C)(C)c1ccccc1)c1ccccc1
InChIInChI=1S/3C10H13.C9H7O.Sn/c3*1-10(2,3)9-7-5-4-6-8-9;1-2-9(10)8-6-4-3-5-7-8;/h3*4-8H,1H2,2-3H3;1-7H;
InChIKeyYBDACACAVMVLDX-UHFFFAOYSA-N
XLogP10.35
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500649.51
LogP ≤ 510.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (Z)-1-phenyl-3-tris(2-methyl-2-phenylpropyl)stannylprop-2-en-1-one 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

1-phenyl-2-tris(2-methyl-2-phenylpropyl)stannylbut-2-en-1-one
CID 71378447
(E)-7-hydroxy-1,7-diphenyloct-2-en-1-one
CID 138977313
(Z)-1-phenylpent-2-en-1-one
CID 91998885
(E)-4-hydroperoxy-4-methyl-1-phenylpent-2-en-1-one
CID 11424290
3-tert-butylsulfanyl-1-phenylprop-2-en-1-one
CID 71439473
3-(3,5-ditert-butylphenyl)-1-phenylprop-2-en-1-one
CID 5154900
iodo-tris(2-methyl-2-phenylpropyl)stannane
CID 12970290
(E)-1-(4-tert-butylphenyl)-3-phenylprop-2-en-1-one
CID 6156309
(E)-3-[tert-butyl(diphenyl)silyl]-1-phenylprop-2-en-1-one
CID 102342624
λ2-plumbane;4-oxo-4-phenylbut-2-enoic acid
CID 173413891
1,3-diphenylprop-2-en-1-one;ethane
CID 91274718
formic acid;2-methylbutan-2-ylbenzene
CID 158175832

Frequently Asked Questions

What is the IUPAC name of (Z)-1-phenyl-3-tris(2-methyl-2-phenylpropyl)stannylprop-2-en-1-one?
The IUPAC name of (Z)-1-phenyl-3-tris(2-methyl-2-phenylpropyl)stannylprop-2-en-1-one (CID 11262273) is (Z)-1-phenyl-3-tris(2-methyl-2-phenylpropyl)stannylprop-2-en-1-one.
What is the SMILES notation for (Z)-1-phenyl-3-tris(2-methyl-2-phenylpropyl)stannylprop-2-en-1-one?
The canonical SMILES for (Z)-1-phenyl-3-tris(2-methyl-2-phenylpropyl)stannylprop-2-en-1-one is CC(C)(C[Sn](/C=C\C(=O)c1ccccc1)(CC(C)(C)c1ccccc1)CC(C)(C)c1ccccc1)c1ccccc1.
What is the InChIKey of (Z)-1-phenyl-3-tris(2-methyl-2-phenylpropyl)stannylprop-2-en-1-one?
The InChIKey is YBDACACAVMVLDX-UHFFFAOYSA-N. The full InChI is InChI=1S/3C10H13.C9H7O.Sn/c3*1-10(2,3)9-7-5-4-6-8-9;1-2-9(10)8-6-4-3-5-7-8;/h3*4-8H,1H2,2-3H3;1-7H;.
What are the key properties of (Z)-1-phenyl-3-tris(2-methyl-2-phenylpropyl)stannylprop-2-en-1-one?
(Z)-1-phenyl-3-tris(2-methyl-2-phenylpropyl)stannylprop-2-en-1-one has a molecular weight of 649.51 g/mol, XLogP of 10.35, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-phenyl-3-tris(2-methyl-2-phenylpropyl)stannylprop-2-en-1-one is sourced from PubChem (CID 11262273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).