1,1-dimethyl-2,3,4,5-tetraphenylsilole

C60H52Si2 — CID 139118741

IUPAC1,1-dimethyl-2,3,4,5-tetraphenylsilole
SMILESC[Si]1(C)C(c2ccccc2)=C(c2ccccc2)C(c2ccccc2)=C1c1ccccc1.C[Si]1(C)C(c2ccccc2)=C(c2ccccc2)C(c2ccccc2)=C1c1ccccc1
InChIInChI=1S/2C30H26Si/c2*1-31(2)29(25-19-11-5-12-20-25)27(23-15-7-3-8-16-23)28(24-17-9-4-10-18-24)30(31)26-21-13-6-14-22-26/h2*3-22H,1-2H3
InChIKeyDAGCDRSWWWTAPF-UHFFFAOYSA-N
MW829.25 g/mol
LogP16.02
Rot. Bonds8

About 1,1-dimethyl-2,3,4,5-tetraphenylsilole

1,1-dimethyl-2,3,4,5-tetraphenylsilole (PubChem CID 139118741) has the molecular formula C60H52Si2 and a molecular weight of 829.25 g/mol. Its IUPAC name is 1,1-dimethyl-2,3,4,5-tetraphenylsilole.

Molecular Properties

Compound Name1,1-dimethyl-2,3,4,5-tetraphenylsilole
PubChem CID139118741
Molecular FormulaC60H52Si2
Molecular Weight829.25 g/mol
Exact Mass828.36
IUPAC Name1,1-dimethyl-2,3,4,5-tetraphenylsilole
SMILESC[Si]1(C)C(c2ccccc2)=C(c2ccccc2)C(c2ccccc2)=C1c1ccccc1.C[Si]1(C)C(c2ccccc2)=C(c2ccccc2)C(c2ccccc2)=C1c1ccccc1
InChIInChI=1S/2C30H26Si/c2*1-31(2)29(25-19-11-5-12-20-25)27(23-15-7-3-8-16-23)28(24-17-9-4-10-18-24)30(31)26-21-13-6-14-22-26/h2*3-22H,1-2H3
InChIKeyDAGCDRSWWWTAPF-UHFFFAOYSA-N
XLogP16.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500829.25
LogP ≤ 516.02
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'}

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Related Compounds

4-[5-(4-aminophenyl)-1,1-dimethyl-3,4-diphenylsilol-2-yl]aniline
CID 170897442
1-chloro-1-methyl-2,3,4,5-tetraphenylsilole
CID 12722878
1,1,2,3-tetramethyl-4,5-diphenylsilole
CID 15329320
1,1-dimethyl-2,5-dinaphthalen-2-yl-3,4-diphenylsilole
CID 54302855
1-methyl-1-[2-(1-methyl-2,3,4,5-tetraphenylsilol-1-yl)ethyl]-2,3,4,5-tetraphenylsilole
CID 13131416
2-(1,1-dimethyl-3,4-diphenyl-5-pyrimidin-2-ylsilol-2-yl)pyrimidine
CID 18792351
3,4-bis[2,6-di(propan-2-yl)phenyl]-1,1-dimethyl-2,5-diphenylsilole
CID 101405789
1-tert-butyl-1-(1-tert-butyl-2,3,4,5-tetraphenylsilol-1-yl)-2,3,4,5-tetraphenylsilole
CID 14661892
3-(1,1-dimethyl-3,4-diphenyl-5-pyridazin-3-ylsilol-2-yl)pyridazine
CID 18792361
5-[5-(1-benzothiophen-5-yl)-1,1-dimethyl-3,4-diphenylsilol-2-yl]-1-benzothiophene
CID 122365519
ethane;1,1,2,5-tetramethyl-3,4-diphenylsilole
CID 163897080
1-(diazomethyl)-1-methyl-2,3,4,5-tetraphenylsilole
CID 13180862

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-2,3,4,5-tetraphenylsilole?
The IUPAC name of 1,1-dimethyl-2,3,4,5-tetraphenylsilole (CID 139118741) is 1,1-dimethyl-2,3,4,5-tetraphenylsilole.
What is the SMILES notation for 1,1-dimethyl-2,3,4,5-tetraphenylsilole?
The canonical SMILES for 1,1-dimethyl-2,3,4,5-tetraphenylsilole is C[Si]1(C)C(c2ccccc2)=C(c2ccccc2)C(c2ccccc2)=C1c1ccccc1.C[Si]1(C)C(c2ccccc2)=C(c2ccccc2)C(c2ccccc2)=C1c1ccccc1.
What is the InChIKey of 1,1-dimethyl-2,3,4,5-tetraphenylsilole?
The InChIKey is DAGCDRSWWWTAPF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C30H26Si/c2*1-31(2)29(25-19-11-5-12-20-25)27(23-15-7-3-8-16-23)28(24-17-9-4-10-18-24)30(31)26-21-13-6-14-22-26/h2*3-22H,1-2H3.
What are the key properties of 1,1-dimethyl-2,3,4,5-tetraphenylsilole?
1,1-dimethyl-2,3,4,5-tetraphenylsilole has a molecular weight of 829.25 g/mol, XLogP of 16.02, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-2,3,4,5-tetraphenylsilole is sourced from PubChem (CID 139118741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).