3,5,5,6,6,7,7-heptamethylbenzo[d][1,3]benzodisilepine

C20H28Si2 — CID 171731157

IUPAC3,5,5,6,6,7,7-heptamethylbenzo[d][1,3]benzodisilepine
SMILESCc1ccc2c(c1)[Si](C)(C)C(C)(C)[Si](C)(C)c1ccccc1-2
InChIInChI=1S/C20H28Si2/c1-15-12-13-17-16-10-8-9-11-18(16)21(4,5)20(2,3)22(6,7)19(17)14-15/h8-14H,1-7H3
InChIKeyBSIRINBUTXRQRY-UHFFFAOYSA-N
MW324.62 g/mol
LogP4.83
Rot. Bonds

About 3,5,5,6,6,7,7-heptamethylbenzo[d][1,3]benzodisilepine

3,5,5,6,6,7,7-heptamethylbenzo[d][1,3]benzodisilepine (PubChem CID 171731157) has the molecular formula C20H28Si2 and a molecular weight of 324.62 g/mol. Its IUPAC name is 3,5,5,6,6,7,7-heptamethylbenzo[d][1,3]benzodisilepine.

Molecular Properties

Compound Name3,5,5,6,6,7,7-heptamethylbenzo[d][1,3]benzodisilepine
PubChem CID171731157
Molecular FormulaC20H28Si2
Molecular Weight324.62 g/mol
Exact Mass324.17
IUPAC Name3,5,5,6,6,7,7-heptamethylbenzo[d][1,3]benzodisilepine
SMILESCc1ccc2c(c1)[Si](C)(C)C(C)(C)[Si](C)(C)c1ccccc1-2
InChIInChI=1S/C20H28Si2/c1-15-12-13-17-16-10-8-9-11-18(16)21(4,5)20(2,3)22(6,7)19(17)14-15/h8-14H,1-7H3
InChIKeyBSIRINBUTXRQRY-UHFFFAOYSA-N
XLogP4.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.62
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

4,14,14-trimethyl-14-silatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8,10,12,15,17-nonaene
CID 171436554
3,7-dimethyl-5,5-diphenylbenzo[b][1]benzosilole
CID 59167435
(5S)-5-tert-butyl-3-methyl-5-phenylbenzo[b][1]benzosilole
CID 102487155
7-methylspiro[[1]benzosilolo[3,2-b]pyridine-5,5'-benzo[b][1]benzosilole]
CID 59661403
3-bromo-5,5,7-trimethylbenzo[b][1]benzosilole
CID 58352081
ethane;methane;2,9,9-trimethylfluorene
CID 144920604
2,2',7'-trimethyl-9,9'-spirobi[fluorene]
CID 20807057
2,9-dimethyl-9-propylfluorene
CID 58051803
2,10,10-trimethyl-9H-phenanthrene
CID 175802483
2',9,9-trimethylspiro[anthracene-10,9'-fluorene]
CID 142504500
5,14-dimethyl-8,8-diphenyl-8-silatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaene
CID 176637820
CID 58607554
CID 58607554

Frequently Asked Questions

What is the IUPAC name of 3,5,5,6,6,7,7-heptamethylbenzo[d][1,3]benzodisilepine?
The IUPAC name of 3,5,5,6,6,7,7-heptamethylbenzo[d][1,3]benzodisilepine (CID 171731157) is 3,5,5,6,6,7,7-heptamethylbenzo[d][1,3]benzodisilepine.
What is the SMILES notation for 3,5,5,6,6,7,7-heptamethylbenzo[d][1,3]benzodisilepine?
The canonical SMILES for 3,5,5,6,6,7,7-heptamethylbenzo[d][1,3]benzodisilepine is Cc1ccc2c(c1)[Si](C)(C)C(C)(C)[Si](C)(C)c1ccccc1-2.
What is the InChIKey of 3,5,5,6,6,7,7-heptamethylbenzo[d][1,3]benzodisilepine?
The InChIKey is BSIRINBUTXRQRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28Si2/c1-15-12-13-17-16-10-8-9-11-18(16)21(4,5)20(2,3)22(6,7)19(17)14-15/h8-14H,1-7H3.
What are the key properties of 3,5,5,6,6,7,7-heptamethylbenzo[d][1,3]benzodisilepine?
3,5,5,6,6,7,7-heptamethylbenzo[d][1,3]benzodisilepine has a molecular weight of 324.62 g/mol, XLogP of 4.83, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,5,6,6,7,7-heptamethylbenzo[d][1,3]benzodisilepine is sourced from PubChem (CID 171731157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).