(2,6-diphenyl-4H-thiopyran-4-yl)-trimethylsilane

C20H22SSi — CID 12887587

IUPAC(2,6-diphenyl-4H-thiopyran-4-yl)-trimethylsilane
SMILESC[Si](C)(C)C1C=C(c2ccccc2)SC(c2ccccc2)=C1
InChIInChI=1S/C20H22SSi/c1-22(2,3)18-14-19(16-10-6-4-7-11-16)21-20(15-18)17-12-8-5-9-13-17/h4-15,18H,1-3H3
InChIKeyQKBDCAHQEIIPMT-UHFFFAOYSA-N
MW322.55 g/mol
LogP6.52
Rot. Bonds3

About (2,6-diphenyl-4H-thiopyran-4-yl)-trimethylsilane

(2,6-diphenyl-4H-thiopyran-4-yl)-trimethylsilane (PubChem CID 12887587) has the molecular formula C20H22SSi and a molecular weight of 322.55 g/mol. Its IUPAC name is (2,6-diphenyl-4H-thiopyran-4-yl)-trimethylsilane.

Molecular Properties

Compound Name(2,6-diphenyl-4H-thiopyran-4-yl)-trimethylsilane
PubChem CID12887587
Molecular FormulaC20H22SSi
Molecular Weight322.55 g/mol
Exact Mass322.12
IUPAC Name(2,6-diphenyl-4H-thiopyran-4-yl)-trimethylsilane
SMILESC[Si](C)(C)C1C=C(c2ccccc2)SC(c2ccccc2)=C1
InChIInChI=1S/C20H22SSi/c1-22(2,3)18-14-19(16-10-6-4-7-11-16)21-20(15-18)17-12-8-5-9-13-17/h4-15,18H,1-3H3
InChIKeyQKBDCAHQEIIPMT-UHFFFAOYSA-N
XLogP6.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.55
LogP ≤ 56.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,4,6-triphenyl-4H-thiopyran
CID 629780
4-diethoxyphosphoryl-2,6-diphenyl-4H-thiopyran
CID 12604720
2,6-bis[4-(4-phenylphenyl)phenyl]-1,4-dithiine
CID 58816776
benzene;1,1'-biphenyl;ethane
CID 158550617
1,1'-biphenyl;molecular hydrogen
CID 173033571
4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2,6-diphenyl-1,4lambda5-thiaphosphinine 4-oxide
CID 2311649
N,N'-bis(4-oxo-2,6-diphenyl-1,4λ5-thiaphosphinin-4-yl)ethane-1,2-diamine
CID 4098268
trimethyl-[(1R)-3-phenylcyclohex-2-en-1-yl]silane
CID 99771377
benzene;tris(1,1'-biphenyl)
CID 162155747
trimethyl-[(1S,4R)-2,3,5-triphenyl-4-trimethylsilylcyclopent-2-en-1-yl]silane
CID 122210293
4-benzhydrylidene-2,6-diphenylthiopyran
CID 13110816
trimethyl-(4-methylidene-2-phenylcyclobut-2-en-1-yl)silane
CID 101146954

Frequently Asked Questions

What is the IUPAC name of (2,6-diphenyl-4H-thiopyran-4-yl)-trimethylsilane?
The IUPAC name of (2,6-diphenyl-4H-thiopyran-4-yl)-trimethylsilane (CID 12887587) is (2,6-diphenyl-4H-thiopyran-4-yl)-trimethylsilane.
What is the SMILES notation for (2,6-diphenyl-4H-thiopyran-4-yl)-trimethylsilane?
The canonical SMILES for (2,6-diphenyl-4H-thiopyran-4-yl)-trimethylsilane is C[Si](C)(C)C1C=C(c2ccccc2)SC(c2ccccc2)=C1.
What is the InChIKey of (2,6-diphenyl-4H-thiopyran-4-yl)-trimethylsilane?
The InChIKey is QKBDCAHQEIIPMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22SSi/c1-22(2,3)18-14-19(16-10-6-4-7-11-16)21-20(15-18)17-12-8-5-9-13-17/h4-15,18H,1-3H3.
What are the key properties of (2,6-diphenyl-4H-thiopyran-4-yl)-trimethylsilane?
(2,6-diphenyl-4H-thiopyran-4-yl)-trimethylsilane has a molecular weight of 322.55 g/mol, XLogP of 6.52, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-diphenyl-4H-thiopyran-4-yl)-trimethylsilane is sourced from PubChem (CID 12887587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).