5-methyl-5-[2-(5-methylbenzo[b][1]benzosilol-5-yl)ethyl]benzo[b][1]benzosilole

C28H26Si2 — CID 102021725

IUPAC5-methyl-5-[2-(5-methylbenzo[b][1]benzosilol-5-yl)ethyl]benzo[b][1]benzosilole
SMILESC[Si]1(CC[Si]2(C)c3ccccc3-c3ccccc32)c2ccccc2-c2ccccc21
InChIInChI=1S/C28H26Si2/c1-29(25-15-7-3-11-21(25)22-12-4-8-16-26(22)29)19-20-30(2)27-17-9-5-13-23(27)24-14-6-10-18-28(24)30/h3-18H,19-20H2,1-2H3
InChIKeyVXWRUGGSZVQGEO-UHFFFAOYSA-N
MW418.69 g/mol
LogP4.73
Rot. Bonds3

About 5-methyl-5-[2-(5-methylbenzo[b][1]benzosilol-5-yl)ethyl]benzo[b][1]benzosilole

5-methyl-5-[2-(5-methylbenzo[b][1]benzosilol-5-yl)ethyl]benzo[b][1]benzosilole (PubChem CID 102021725) has the molecular formula C28H26Si2 and a molecular weight of 418.69 g/mol. Its IUPAC name is 5-methyl-5-[2-(5-methylbenzo[b][1]benzosilol-5-yl)ethyl]benzo[b][1]benzosilole.

Molecular Properties

Compound Name5-methyl-5-[2-(5-methylbenzo[b][1]benzosilol-5-yl)ethyl]benzo[b][1]benzosilole
PubChem CID102021725
Molecular FormulaC28H26Si2
Molecular Weight418.69 g/mol
Exact Mass418.16
IUPAC Name5-methyl-5-[2-(5-methylbenzo[b][1]benzosilol-5-yl)ethyl]benzo[b][1]benzosilole
SMILESC[Si]1(CC[Si]2(C)c3ccccc3-c3ccccc32)c2ccccc2-c2ccccc21
InChIInChI=1S/C28H26Si2/c1-29(25-15-7-3-11-21(25)22-12-4-8-16-26(22)29)19-20-30(2)27-17-9-5-13-23(27)24-14-6-10-18-28(24)30/h3-18H,19-20H2,1-2H3
InChIKeyVXWRUGGSZVQGEO-UHFFFAOYSA-N
XLogP4.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.69
LogP ≤ 54.73
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-methyl-5-naphthalen-1-ylbenzo[b][1]benzosilole
CID 162024535
4-[2-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)phenyl]-5,5-dimethylbenzo[b][1]benzosilole
CID 59133595
5-ethenyl-5-methylbenzo[b][1]benzosilole
CID 91827973
7,7,8,8-tetramethyl-7,8-disilabicyclo[4.2.0]octa-1,3,5-triene
CID 14028747
5,5-diethoxybenzo[b][1]benzosilole
CID 623030
CID 70019746
CID 70019746
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
5-methyl-5-naphthalen-2-ylbenzo[b][1]benzosilole
CID 162024536
4-chloro-5,5-dimethylbenzo[b][1]benzosilole
CID 155787131
2-iodo-5,5-dimethylbenzo[b][1]benzosilole
CID 140829027
3,3,14,14-tetramethyl-11,22-dithia-3,14-disilahexacyclo[10.10.0.02,10.04,9.013,21.015,20]docosa-1(12),2(10),4,6,8,13(21),15,17,19-nonaene
CID 123453446
4-[3,5-bis(5,5-dimethylbenzo[b][1]benzosilol-4-yl)phenyl]-5,5-dimethylbenzo[b][1]benzosilole
CID 59133577

Frequently Asked Questions

What is the IUPAC name of 5-methyl-5-[2-(5-methylbenzo[b][1]benzosilol-5-yl)ethyl]benzo[b][1]benzosilole?
The IUPAC name of 5-methyl-5-[2-(5-methylbenzo[b][1]benzosilol-5-yl)ethyl]benzo[b][1]benzosilole (CID 102021725) is 5-methyl-5-[2-(5-methylbenzo[b][1]benzosilol-5-yl)ethyl]benzo[b][1]benzosilole.
What is the SMILES notation for 5-methyl-5-[2-(5-methylbenzo[b][1]benzosilol-5-yl)ethyl]benzo[b][1]benzosilole?
The canonical SMILES for 5-methyl-5-[2-(5-methylbenzo[b][1]benzosilol-5-yl)ethyl]benzo[b][1]benzosilole is C[Si]1(CC[Si]2(C)c3ccccc3-c3ccccc32)c2ccccc2-c2ccccc21.
What is the InChIKey of 5-methyl-5-[2-(5-methylbenzo[b][1]benzosilol-5-yl)ethyl]benzo[b][1]benzosilole?
The InChIKey is VXWRUGGSZVQGEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26Si2/c1-29(25-15-7-3-11-21(25)22-12-4-8-16-26(22)29)19-20-30(2)27-17-9-5-13-23(27)24-14-6-10-18-28(24)30/h3-18H,19-20H2,1-2H3.
What are the key properties of 5-methyl-5-[2-(5-methylbenzo[b][1]benzosilol-5-yl)ethyl]benzo[b][1]benzosilole?
5-methyl-5-[2-(5-methylbenzo[b][1]benzosilol-5-yl)ethyl]benzo[b][1]benzosilole has a molecular weight of 418.69 g/mol, XLogP of 4.73, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-5-[2-(5-methylbenzo[b][1]benzosilol-5-yl)ethyl]benzo[b][1]benzosilole is sourced from PubChem (CID 102021725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).