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

C30H26Si — CID 5105497

IUPAC1,1-dimethyl-2,3,4,5-tetraphenylsilole
SMILESC[Si]1(C)C(c2ccccc2)=C(c2ccccc2)C(c2ccccc2)=C1c1ccccc1
InChIInChI=1S/C30H26Si/c1-31(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/h3-22H,1-2H3
InChIKeyKTCXDIGJYUOQBJ-UHFFFAOYSA-N
MW414.62 g/mol
LogP8.01
Rot. Bonds4

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

1,1-dimethyl-2,3,4,5-tetraphenylsilole (PubChem CID 5105497) has the molecular formula C30H26Si and a molecular weight of 414.62 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 CID5105497
Molecular FormulaC30H26Si
Molecular Weight414.62 g/mol
Exact Mass414.18
IUPAC Name1,1-dimethyl-2,3,4,5-tetraphenylsilole
SMILESC[Si]1(C)C(c2ccccc2)=C(c2ccccc2)C(c2ccccc2)=C1c1ccccc1
InChIInChI=1S/C30H26Si/c1-31(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/h3-22H,1-2H3
InChIKeyKTCXDIGJYUOQBJ-UHFFFAOYSA-N
XLogP8.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.62
LogP ≤ 58.01
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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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 5105497) 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.
What is the InChIKey of 1,1-dimethyl-2,3,4,5-tetraphenylsilole?
The InChIKey is KTCXDIGJYUOQBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26Si/c1-31(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/h3-22H,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 414.62 g/mol, XLogP of 8.01, 4 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 5105497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).