(1S,2Z,4R)-1,4-dimethyl-1,2,3,4-tetraphenyl-5,6,7,8-tetrahydro-1,4-disilocine

C32H34Si2 — CID 15499078

IUPAC(1S,2Z,4R)-1,4-dimethyl-1,2,3,4-tetraphenyl-5,6,7,8-tetrahydro-1,4-disilocine
SMILESC[Si@]1(c2ccccc2)CCCC[Si@@](C)(c2ccccc2)/C(c2ccccc2)=C\1c1ccccc1
InChIInChI=1S/C32H34Si2/c1-33(29-21-11-5-12-22-29)25-15-16-26-34(2,30-23-13-6-14-24-30)32(28-19-9-4-10-20-28)31(33)27-17-7-3-8-18-27/h3-14,17-24H,15-16,25-26H2,1-2H3/b32-31-/t33-,34+
InChIKeySMWRSDOCTDDTNG-FWGVWXSPSA-N
MW474.80 g/mol
LogP7.44
Rot. Bonds4

About (1S,2Z,4R)-1,4-dimethyl-1,2,3,4-tetraphenyl-5,6,7,8-tetrahydro-1,4-disilocine

(1S,2Z,4R)-1,4-dimethyl-1,2,3,4-tetraphenyl-5,6,7,8-tetrahydro-1,4-disilocine (PubChem CID 15499078) has the molecular formula C32H34Si2 and a molecular weight of 474.80 g/mol. Its IUPAC name is (1S,2Z,4R)-1,4-dimethyl-1,2,3,4-tetraphenyl-5,6,7,8-tetrahydro-1,4-disilocine.

Molecular Properties

Compound Name(1S,2Z,4R)-1,4-dimethyl-1,2,3,4-tetraphenyl-5,6,7,8-tetrahydro-1,4-disilocine
PubChem CID15499078
Molecular FormulaC32H34Si2
Molecular Weight474.80 g/mol
Exact Mass474.22
IUPAC Name(1S,2Z,4R)-1,4-dimethyl-1,2,3,4-tetraphenyl-5,6,7,8-tetrahydro-1,4-disilocine
SMILESC[Si@]1(c2ccccc2)CCCC[Si@@](C)(c2ccccc2)/C(c2ccccc2)=C\1c1ccccc1
InChIInChI=1S/C32H34Si2/c1-33(29-21-11-5-12-22-29)25-15-16-26-34(2,30-23-13-6-14-24-30)32(28-19-9-4-10-20-28)31(33)27-17-7-3-8-18-27/h3-14,17-24H,15-16,25-26H2,1-2H3/b32-31-/t33-,34+
InChIKeySMWRSDOCTDDTNG-FWGVWXSPSA-N
XLogP7.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.80
LogP ≤ 57.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (1S,2Z,4R)-1,4-dimethyl-1,2,3,4-tetraphenyl-5,6,7,8-tetrahydro-1,4-disilocine with MolForge

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Related Compounds

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1,1-dimethyl-2,3,4,5-tetraphenylsilole
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CID 122232420
1-phenyl-1-(1-phenylsilinan-1-yl)oxysilinane
CID 3571537
1-chloro-1-methyl-2,3,4,5-tetraphenylsilole
CID 12722878
1-(chloromethyl)-1-phenylsilolane
CID 71333765
4-methyl-4-phenyl-1,4-azasilinane
CID 66925910
1-methyl-1-[2-(1-methyl-2,3,4,5-tetraphenylsilol-1-yl)ethyl]-2,3,4,5-tetraphenylsilole
CID 13131416

Frequently Asked Questions

What is the IUPAC name of (1S,2Z,4R)-1,4-dimethyl-1,2,3,4-tetraphenyl-5,6,7,8-tetrahydro-1,4-disilocine?
The IUPAC name of (1S,2Z,4R)-1,4-dimethyl-1,2,3,4-tetraphenyl-5,6,7,8-tetrahydro-1,4-disilocine (CID 15499078) is (1S,2Z,4R)-1,4-dimethyl-1,2,3,4-tetraphenyl-5,6,7,8-tetrahydro-1,4-disilocine.
What is the SMILES notation for (1S,2Z,4R)-1,4-dimethyl-1,2,3,4-tetraphenyl-5,6,7,8-tetrahydro-1,4-disilocine?
The canonical SMILES for (1S,2Z,4R)-1,4-dimethyl-1,2,3,4-tetraphenyl-5,6,7,8-tetrahydro-1,4-disilocine is C[Si@]1(c2ccccc2)CCCC[Si@@](C)(c2ccccc2)/C(c2ccccc2)=C\1c1ccccc1.
What is the InChIKey of (1S,2Z,4R)-1,4-dimethyl-1,2,3,4-tetraphenyl-5,6,7,8-tetrahydro-1,4-disilocine?
The InChIKey is SMWRSDOCTDDTNG-FWGVWXSPSA-N. The full InChI is InChI=1S/C32H34Si2/c1-33(29-21-11-5-12-22-29)25-15-16-26-34(2,30-23-13-6-14-24-30)32(28-19-9-4-10-20-28)31(33)27-17-7-3-8-18-27/h3-14,17-24H,15-16,25-26H2,1-2H3/b32-31-/t33-,34+.
What are the key properties of (1S,2Z,4R)-1,4-dimethyl-1,2,3,4-tetraphenyl-5,6,7,8-tetrahydro-1,4-disilocine?
(1S,2Z,4R)-1,4-dimethyl-1,2,3,4-tetraphenyl-5,6,7,8-tetrahydro-1,4-disilocine has a molecular weight of 474.80 g/mol, XLogP of 7.44, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2Z,4R)-1,4-dimethyl-1,2,3,4-tetraphenyl-5,6,7,8-tetrahydro-1,4-disilocine is sourced from PubChem (CID 15499078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).