3,7-dimethyl-5,5-diphenylbenzo[b][1]benzosilole

C26H22Si — CID 59167435

IUPAC3,7-dimethyl-5,5-diphenylbenzo[b][1]benzosilole
SMILESCc1ccc2c(c1)[Si](c1ccccc1)(c1ccccc1)c1cc(C)ccc1-2
InChIInChI=1S/C26H22Si/c1-19-13-15-23-24-16-14-20(2)18-26(24)27(25(23)17-19,21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-18H,1-2H3
InChIKeyVTKQLVMVHQVQOO-UHFFFAOYSA-N
MW362.55 g/mol
LogP3.66
Rot. Bonds2

About 3,7-dimethyl-5,5-diphenylbenzo[b][1]benzosilole

3,7-dimethyl-5,5-diphenylbenzo[b][1]benzosilole (PubChem CID 59167435) has the molecular formula C26H22Si and a molecular weight of 362.55 g/mol. Its IUPAC name is 3,7-dimethyl-5,5-diphenylbenzo[b][1]benzosilole.

Molecular Properties

Compound Name3,7-dimethyl-5,5-diphenylbenzo[b][1]benzosilole
PubChem CID59167435
Molecular FormulaC26H22Si
Molecular Weight362.55 g/mol
Exact Mass362.15
IUPAC Name3,7-dimethyl-5,5-diphenylbenzo[b][1]benzosilole
SMILESCc1ccc2c(c1)[Si](c1ccccc1)(c1ccccc1)c1cc(C)ccc1-2
InChIInChI=1S/C26H22Si/c1-19-13-15-23-24-16-14-20(2)18-26(24)27(25(23)17-19,21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-18H,1-2H3
InChIKeyVTKQLVMVHQVQOO-UHFFFAOYSA-N
XLogP3.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.55
LogP ≤ 53.66
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

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
17-methyl-14,14-diphenyl-10-oxa-14-silapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15(20),16,18-nonaene
CID 149181119
9-methyl-11,11-diphenylphenanthro[1,2-b][1]benzosilole
CID 153488459
2,3,7,8-tetramethyl-5,5-diphenylbenzo[b][1]benzosilole
CID 59096237
5-(4-methylphenyl)-5-phenylnaphtho[2,3-b][1]benzosilole
CID 153488427
(5S)-5-tert-butyl-3-methyl-5-phenylbenzo[b][1]benzosilole
CID 102487155
18-methyl-21,21-diphenyl-4,11-diaza-21-silapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1,3,5,7,9,11,13,15(20),16,18-decaene
CID 152972287
5-(2-methylphenyl)-5-phenylbenzo[b][1]benzosilole
CID 58711206
6-methyl-12,12-diphenyl-12-silapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3(8),4,6,9,13,15,17,19-decaene
CID 153488316
2-[4-[5,5-bis(4-methylphenyl)benzo[b][1]benzosilol-3-yl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 155787135
2-methoxy-3,8-dimethyl-5,5,6,6-tetraphenylbenzo[c][1,2]benzodisiline
CID 59167389
7-methylspiro[[1]benzosilolo[3,2-b]pyridine-5,5'-benzo[b][1]benzosilole]
CID 59661403

Frequently Asked Questions

What is the IUPAC name of 3,7-dimethyl-5,5-diphenylbenzo[b][1]benzosilole?
The IUPAC name of 3,7-dimethyl-5,5-diphenylbenzo[b][1]benzosilole (CID 59167435) is 3,7-dimethyl-5,5-diphenylbenzo[b][1]benzosilole.
What is the SMILES notation for 3,7-dimethyl-5,5-diphenylbenzo[b][1]benzosilole?
The canonical SMILES for 3,7-dimethyl-5,5-diphenylbenzo[b][1]benzosilole is Cc1ccc2c(c1)[Si](c1ccccc1)(c1ccccc1)c1cc(C)ccc1-2.
What is the InChIKey of 3,7-dimethyl-5,5-diphenylbenzo[b][1]benzosilole?
The InChIKey is VTKQLVMVHQVQOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22Si/c1-19-13-15-23-24-16-14-20(2)18-26(24)27(25(23)17-19,21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-18H,1-2H3.
What are the key properties of 3,7-dimethyl-5,5-diphenylbenzo[b][1]benzosilole?
3,7-dimethyl-5,5-diphenylbenzo[b][1]benzosilole has a molecular weight of 362.55 g/mol, XLogP of 3.66, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dimethyl-5,5-diphenylbenzo[b][1]benzosilole is sourced from PubChem (CID 59167435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).