3-[chloro(diphenyl)stannyl]oxy-2-[N-(4-chlorophenyl)-C-(2-methylpropyl)carbonimidoyl]inden-1-one

C32H27Cl2NO2Sn — CID 135122144

IUPAC3-[chloro(diphenyl)stannyl]oxy-2-[N-(4-chlorophenyl)-C-(2-methylpropyl)carbonimidoyl]inden-1-one
SMILESCC(C)C/C(=N/c1ccc(Cl)cc1)C1=C(O[Sn](Cl)(c2ccccc2)c2ccccc2)c2ccccc2C1=O
InChIInChI=1S/C20H18ClNO2.2C6H5.ClH.Sn/c1-12(2)11-17(22-14-9-7-13(21)8-10-14)18-19(23)15-5-3-4-6-16(15)20(18)24;2*1-2-4-6-5-3-1;;/h3-10,12,23H,11H2,1-2H3;2*1-5H;1H;/q;;;;+2/p-2/b22-17-;;;;
InChIKeyRYDGOXRSUQQFOQ-SUVQGYCISA-L
MW647.19 g/mol
LogP7.58
Rot. Bonds8

About 3-[chloro(diphenyl)stannyl]oxy-2-[N-(4-chlorophenyl)-C-(2-methylpropyl)carbonimidoyl]inden-1-one

3-[chloro(diphenyl)stannyl]oxy-2-[N-(4-chlorophenyl)-C-(2-methylpropyl)carbonimidoyl]inden-1-one (PubChem CID 135122144) has the molecular formula C32H27Cl2NO2Sn and a molecular weight of 647.19 g/mol. Its IUPAC name is 3-[chloro(diphenyl)stannyl]oxy-2-[N-(4-chlorophenyl)-C-(2-methylpropyl)carbonimidoyl]inden-1-one.

Molecular Properties

Compound Name3-[chloro(diphenyl)stannyl]oxy-2-[N-(4-chlorophenyl)-C-(2-methylpropyl)carbonimidoyl]inden-1-one
PubChem CID135122144
Molecular FormulaC32H27Cl2NO2Sn
Molecular Weight647.19 g/mol
Exact Mass647.04
IUPAC Name3-[chloro(diphenyl)stannyl]oxy-2-[N-(4-chlorophenyl)-C-(2-methylpropyl)carbonimidoyl]inden-1-one
SMILESCC(C)C/C(=N/c1ccc(Cl)cc1)C1=C(O[Sn](Cl)(c2ccccc2)c2ccccc2)c2ccccc2C1=O
InChIInChI=1S/C20H18ClNO2.2C6H5.ClH.Sn/c1-12(2)11-17(22-14-9-7-13(21)8-10-14)18-19(23)15-5-3-4-6-16(15)20(18)24;2*1-2-4-6-5-3-1;;/h3-10,12,23H,11H2,1-2H3;2*1-5H;1H;/q;;;;+2/p-2/b22-17-;;;;
InChIKeyRYDGOXRSUQQFOQ-SUVQGYCISA-L
XLogP7.58
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500647.19
LogP ≤ 57.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[chloro(diphenyl)stannyl]oxy-2-[N-(4-chlorophenyl)-C-(2-methylpropyl)carbonimidoyl]inden-1-one?
The IUPAC name of 3-[chloro(diphenyl)stannyl]oxy-2-[N-(4-chlorophenyl)-C-(2-methylpropyl)carbonimidoyl]inden-1-one (CID 135122144) is 3-[chloro(diphenyl)stannyl]oxy-2-[N-(4-chlorophenyl)-C-(2-methylpropyl)carbonimidoyl]inden-1-one.
What is the SMILES notation for 3-[chloro(diphenyl)stannyl]oxy-2-[N-(4-chlorophenyl)-C-(2-methylpropyl)carbonimidoyl]inden-1-one?
The canonical SMILES for 3-[chloro(diphenyl)stannyl]oxy-2-[N-(4-chlorophenyl)-C-(2-methylpropyl)carbonimidoyl]inden-1-one is CC(C)C/C(=N/c1ccc(Cl)cc1)C1=C(O[Sn](Cl)(c2ccccc2)c2ccccc2)c2ccccc2C1=O.
What is the InChIKey of 3-[chloro(diphenyl)stannyl]oxy-2-[N-(4-chlorophenyl)-C-(2-methylpropyl)carbonimidoyl]inden-1-one?
The InChIKey is RYDGOXRSUQQFOQ-SUVQGYCISA-L. The full InChI is InChI=1S/C20H18ClNO2.2C6H5.ClH.Sn/c1-12(2)11-17(22-14-9-7-13(21)8-10-14)18-19(23)15-5-3-4-6-16(15)20(18)24;2*1-2-4-6-5-3-1;;/h3-10,12,23H,11H2,1-2H3;2*1-5H;1H;/q;;;;+2/p-2/b22-17-;;;;.
What are the key properties of 3-[chloro(diphenyl)stannyl]oxy-2-[N-(4-chlorophenyl)-C-(2-methylpropyl)carbonimidoyl]inden-1-one?
3-[chloro(diphenyl)stannyl]oxy-2-[N-(4-chlorophenyl)-C-(2-methylpropyl)carbonimidoyl]inden-1-one has a molecular weight of 647.19 g/mol, XLogP of 7.58, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[chloro(diphenyl)stannyl]oxy-2-[N-(4-chlorophenyl)-C-(2-methylpropyl)carbonimidoyl]inden-1-one is sourced from PubChem (CID 135122144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).