4-[4-[2-[4-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)phenyl]propan-2-yl]phenyl]-5,5-dimethylbenzo[b][1]benzosilole

C43H40Si2 — CID 59133587

IUPAC4-[4-[2-[4-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)phenyl]propan-2-yl]phenyl]-5,5-dimethylbenzo[b][1]benzosilole
SMILESCC(C)(c1ccc(-c2cccc3c2[Si](C)(C)c2ccccc2-3)cc1)c1ccc(-c2cccc3c2[Si](C)(C)c2ccccc2-3)cc1
InChIInChI=1S/C43H40Si2/c1-43(2,31-25-21-29(22-26-31)33-15-11-17-37-35-13-7-9-19-39(35)44(3,4)41(33)37)32-27-23-30(24-28-32)34-16-12-18-38-36-14-8-10-20-40(36)45(5,6)42(34)38/h7-28H,1-6H3
InChIKeyTWZKWZIXXQOCAL-UHFFFAOYSA-N
MW612.97 g/mol
LogP8.95
Rot. Bonds4

About 4-[4-[2-[4-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)phenyl]propan-2-yl]phenyl]-5,5-dimethylbenzo[b][1]benzosilole

4-[4-[2-[4-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)phenyl]propan-2-yl]phenyl]-5,5-dimethylbenzo[b][1]benzosilole (PubChem CID 59133587) has the molecular formula C43H40Si2 and a molecular weight of 612.97 g/mol. Its IUPAC name is 4-[4-[2-[4-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)phenyl]propan-2-yl]phenyl]-5,5-dimethylbenzo[b][1]benzosilole.

Molecular Properties

Compound Name4-[4-[2-[4-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)phenyl]propan-2-yl]phenyl]-5,5-dimethylbenzo[b][1]benzosilole
PubChem CID59133587
Molecular FormulaC43H40Si2
Molecular Weight612.97 g/mol
Exact Mass612.27
IUPAC Name4-[4-[2-[4-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)phenyl]propan-2-yl]phenyl]-5,5-dimethylbenzo[b][1]benzosilole
SMILESCC(C)(c1ccc(-c2cccc3c2[Si](C)(C)c2ccccc2-3)cc1)c1ccc(-c2cccc3c2[Si](C)(C)c2ccccc2-3)cc1
InChIInChI=1S/C43H40Si2/c1-43(2,31-25-21-29(22-26-31)33-15-11-17-37-35-13-7-9-19-39(35)44(3,4)41(33)37)32-27-23-30(24-28-32)34-16-12-18-38-36-14-8-10-20-40(36)45(5,6)42(34)38/h7-28H,1-6H3
InChIKeyTWZKWZIXXQOCAL-UHFFFAOYSA-N
XLogP8.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500612.97
LogP ≤ 58.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 4-[4-[2-[4-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)phenyl]propan-2-yl]phenyl]-5,5-dimethylbenzo[b][1]benzosilole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-[4-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)phenyl]propan-2-yl]phenyl]-5,5-dimethylbenzo[b][1]benzosilole?
The IUPAC name of 4-[4-[2-[4-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)phenyl]propan-2-yl]phenyl]-5,5-dimethylbenzo[b][1]benzosilole (CID 59133587) is 4-[4-[2-[4-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)phenyl]propan-2-yl]phenyl]-5,5-dimethylbenzo[b][1]benzosilole.
What is the SMILES notation for 4-[4-[2-[4-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)phenyl]propan-2-yl]phenyl]-5,5-dimethylbenzo[b][1]benzosilole?
The canonical SMILES for 4-[4-[2-[4-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)phenyl]propan-2-yl]phenyl]-5,5-dimethylbenzo[b][1]benzosilole is CC(C)(c1ccc(-c2cccc3c2[Si](C)(C)c2ccccc2-3)cc1)c1ccc(-c2cccc3c2[Si](C)(C)c2ccccc2-3)cc1.
What is the InChIKey of 4-[4-[2-[4-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)phenyl]propan-2-yl]phenyl]-5,5-dimethylbenzo[b][1]benzosilole?
The InChIKey is TWZKWZIXXQOCAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H40Si2/c1-43(2,31-25-21-29(22-26-31)33-15-11-17-37-35-13-7-9-19-39(35)44(3,4)41(33)37)32-27-23-30(24-28-32)34-16-12-18-38-36-14-8-10-20-40(36)45(5,6)42(34)38/h7-28H,1-6H3.
What are the key properties of 4-[4-[2-[4-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)phenyl]propan-2-yl]phenyl]-5,5-dimethylbenzo[b][1]benzosilole?
4-[4-[2-[4-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)phenyl]propan-2-yl]phenyl]-5,5-dimethylbenzo[b][1]benzosilole has a molecular weight of 612.97 g/mol, XLogP of 8.95, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-[4-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)phenyl]propan-2-yl]phenyl]-5,5-dimethylbenzo[b][1]benzosilole is sourced from PubChem (CID 59133587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).