(2,3-dibenzyl-4-phenylbut-2-enoyl)-λ2-stannane

C24H22OSn — CID 173133216

IUPAC(2,3-dibenzyl-4-phenylbut-2-enoyl)-λ2-stannane
SMILESO=C([SnH])C(Cc1ccccc1)=C(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C24H21O.Sn.H/c25-19-24(18-22-14-8-3-9-15-22)23(16-20-10-4-1-5-11-20)17-21-12-6-2-7-13-21;;/h1-15H,16-18H2;;
InChIKeyDKNBFPWQFKHAAK-UHFFFAOYSA-N
MW445.15 g/mol
LogP4.44
Rot. Bonds7

About (2,3-dibenzyl-4-phenylbut-2-enoyl)-λ2-stannane

(2,3-dibenzyl-4-phenylbut-2-enoyl)-λ2-stannane (PubChem CID 173133216) has the molecular formula C24H22OSn and a molecular weight of 445.15 g/mol. Its IUPAC name is (2,3-dibenzyl-4-phenylbut-2-enoyl)-λ2-stannane.

Molecular Properties

Compound Name(2,3-dibenzyl-4-phenylbut-2-enoyl)-λ2-stannane
PubChem CID173133216
Molecular FormulaC24H22OSn
Molecular Weight445.15 g/mol
Exact Mass446.07
IUPAC Name(2,3-dibenzyl-4-phenylbut-2-enoyl)-λ2-stannane
SMILESO=C([SnH])C(Cc1ccccc1)=C(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C24H21O.Sn.H/c25-19-24(18-22-14-8-3-9-15-22)23(16-20-10-4-1-5-11-20)17-21-12-6-2-7-13-21;;/h1-15H,16-18H2;;
InChIKeyDKNBFPWQFKHAAK-UHFFFAOYSA-N
XLogP4.44
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.15
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2,3-dibenzyl-4-phenylbut-2-enoyl)-λ2-stannane 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

CID 66648455
CID 66648455
benzene;1-phenylpropan-2-one
CID 21430852
1,3-diphenyl(213C)propan-2-one
CID 100945080
3-benzyl-2-fluoro-4-phenylbut-2-enoic acid
CID 79729262
2-benzyl-3,3-dihydroxyprop-2-enamide
CID 174845714
2-phenylacetic acid;silver
CID 50912513
copper 2-phenylacetic acid
CID 54609410
2-phenylacetic acid;dihydrate
CID 168967514
tris(2-phenylacetic acid);rhodium
CID 11168112
formaldehyde;2-phenylacetic acid
CID 70638018
2-benzyl-3-phenylprop-1-ene-1,1-diamine
CID 23499817
lithium 2-phenylacetate
CID 19205773

Frequently Asked Questions

What is the IUPAC name of (2,3-dibenzyl-4-phenylbut-2-enoyl)-λ2-stannane?
The IUPAC name of (2,3-dibenzyl-4-phenylbut-2-enoyl)-λ2-stannane (CID 173133216) is (2,3-dibenzyl-4-phenylbut-2-enoyl)-λ2-stannane.
What is the SMILES notation for (2,3-dibenzyl-4-phenylbut-2-enoyl)-λ2-stannane?
The canonical SMILES for (2,3-dibenzyl-4-phenylbut-2-enoyl)-λ2-stannane is O=C([SnH])C(Cc1ccccc1)=C(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of (2,3-dibenzyl-4-phenylbut-2-enoyl)-λ2-stannane?
The InChIKey is DKNBFPWQFKHAAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21O.Sn.H/c25-19-24(18-22-14-8-3-9-15-22)23(16-20-10-4-1-5-11-20)17-21-12-6-2-7-13-21;;/h1-15H,16-18H2;;.
What are the key properties of (2,3-dibenzyl-4-phenylbut-2-enoyl)-λ2-stannane?
(2,3-dibenzyl-4-phenylbut-2-enoyl)-λ2-stannane has a molecular weight of 445.15 g/mol, XLogP of 4.44, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dibenzyl-4-phenylbut-2-enoyl)-λ2-stannane is sourced from PubChem (CID 173133216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).