4-tert-butyl-5,5-diphenylbenzo[b][1]benzosilole

C28H26Si — CID 166012590

IUPAC4-tert-butyl-5,5-diphenylbenzo[b][1]benzosilole
SMILESCC(C)(C)c1cccc2c1[Si](c1ccccc1)(c1ccccc1)c1ccccc1-2
InChIInChI=1S/C28H26Si/c1-28(2,3)25-19-12-18-24-23-17-10-11-20-26(23)29(27(24)25,21-13-6-4-7-14-21)22-15-8-5-9-16-22/h4-20H,1-3H3
InChIKeyXMUUVVPXEBNDQR-UHFFFAOYSA-N
MW390.60 g/mol
LogP4.34
Rot. Bonds2

About 4-tert-butyl-5,5-diphenylbenzo[b][1]benzosilole

4-tert-butyl-5,5-diphenylbenzo[b][1]benzosilole (PubChem CID 166012590) has the molecular formula C28H26Si and a molecular weight of 390.60 g/mol. Its IUPAC name is 4-tert-butyl-5,5-diphenylbenzo[b][1]benzosilole.

Molecular Properties

Compound Name4-tert-butyl-5,5-diphenylbenzo[b][1]benzosilole
PubChem CID166012590
Molecular FormulaC28H26Si
Molecular Weight390.60 g/mol
Exact Mass390.18
IUPAC Name4-tert-butyl-5,5-diphenylbenzo[b][1]benzosilole
SMILESCC(C)(C)c1cccc2c1[Si](c1ccccc1)(c1ccccc1)c1ccccc1-2
InChIInChI=1S/C28H26Si/c1-28(2,3)25-19-12-18-24-23-17-10-11-20-26(23)29(27(24)25,21-13-6-4-7-14-21)22-15-8-5-9-16-22/h4-20H,1-3H3
InChIKeyXMUUVVPXEBNDQR-UHFFFAOYSA-N
XLogP4.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.60
LogP ≤ 54.34
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

1-methyl-11,11-diphenylphenanthro[1,2-b][1]benzosilole
CID 153488393
5-(2-methylphenyl)-5-phenylbenzo[b][1]benzosilole
CID 58711206
2-(5,5-diphenylbenzo[b][1]benzosilol-4-yl)-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine
CID 155787192
8,8-diphenyl-8-silatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene
CID 59718161
1-tert-butyl-5,5,10,10-tetramethylsilanthrene
CID 174063391
dodecakis(2,2-dimethylpropane);5,5-diphenylbenzo[b][1]benzosilole;5,5-diphenylnaphtho[2,3-b][1]benzosilole;7,7-diphenylnaphtho[2,1-b][1]benzosilole;11,11-diphenylnaphtho[1,2-b][1]benzosilole;12,12-diphenyl-12-silapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12,12-diphenyl-12-silapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene
CID 165065368
5,5-diphenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]benzo[b][1]benzosilol-4-amine
CID 153426606
1-tert-butyl-5,5-dimethylbenzo[b][1]benzosilole
CID 168834764
2-[3-[3-(5,5-diphenylbenzo[b][1]benzosilol-4-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 155787247
2-methyl-6-(5-phenylbenzo[b][1]benzosilol-5-yl)pyridine
CID 140560435
2-[3-[3-(5,5-diphenylbenzo[b][1]benzosilol-4-yl)phenyl]phenyl]-4,6-diphenylpyrimidine
CID 155787163
1-tert-butyl-2-(2-tert-butylphenyl)benzene;phosphane
CID 67329738

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-5,5-diphenylbenzo[b][1]benzosilole?
The IUPAC name of 4-tert-butyl-5,5-diphenylbenzo[b][1]benzosilole (CID 166012590) is 4-tert-butyl-5,5-diphenylbenzo[b][1]benzosilole.
What is the SMILES notation for 4-tert-butyl-5,5-diphenylbenzo[b][1]benzosilole?
The canonical SMILES for 4-tert-butyl-5,5-diphenylbenzo[b][1]benzosilole is CC(C)(C)c1cccc2c1[Si](c1ccccc1)(c1ccccc1)c1ccccc1-2.
What is the InChIKey of 4-tert-butyl-5,5-diphenylbenzo[b][1]benzosilole?
The InChIKey is XMUUVVPXEBNDQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26Si/c1-28(2,3)25-19-12-18-24-23-17-10-11-20-26(23)29(27(24)25,21-13-6-4-7-14-21)22-15-8-5-9-16-22/h4-20H,1-3H3.
What are the key properties of 4-tert-butyl-5,5-diphenylbenzo[b][1]benzosilole?
4-tert-butyl-5,5-diphenylbenzo[b][1]benzosilole has a molecular weight of 390.60 g/mol, XLogP of 4.34, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-5,5-diphenylbenzo[b][1]benzosilole is sourced from PubChem (CID 166012590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).