1-chloro-1-methyl-2,3,4,5-tetraphenylsilole

C29H23ClSi — CID 12722878

IUPAC1-chloro-1-methyl-2,3,4,5-tetraphenylsilole
SMILESC[Si]1(Cl)C(c2ccccc2)=C(c2ccccc2)C(c2ccccc2)=C1c1ccccc1
InChIInChI=1S/C29H23ClSi/c1-31(30)28(24-18-10-4-11-19-24)26(22-14-6-2-7-15-22)27(23-16-8-3-9-17-23)29(31)25-20-12-5-13-21-25/h2-21H,1H3
InChIKeyXJVXSKVTJUPZPV-UHFFFAOYSA-N
MW435.04 g/mol
LogP8.11
Rot. Bonds4

About 1-chloro-1-methyl-2,3,4,5-tetraphenylsilole

1-chloro-1-methyl-2,3,4,5-tetraphenylsilole (PubChem CID 12722878) has the molecular formula C29H23ClSi and a molecular weight of 435.04 g/mol. Its IUPAC name is 1-chloro-1-methyl-2,3,4,5-tetraphenylsilole.

Molecular Properties

Compound Name1-chloro-1-methyl-2,3,4,5-tetraphenylsilole
PubChem CID12722878
Molecular FormulaC29H23ClSi
Molecular Weight435.04 g/mol
Exact Mass434.13
IUPAC Name1-chloro-1-methyl-2,3,4,5-tetraphenylsilole
SMILESC[Si]1(Cl)C(c2ccccc2)=C(c2ccccc2)C(c2ccccc2)=C1c1ccccc1
InChIInChI=1S/C29H23ClSi/c1-31(30)28(24-18-10-4-11-19-24)26(22-14-6-2-7-15-22)27(23-16-8-3-9-17-23)29(31)25-20-12-5-13-21-25/h2-21H,1H3
InChIKeyXJVXSKVTJUPZPV-UHFFFAOYSA-N
XLogP8.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.04
LogP ≤ 58.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,1-dimethyl-2,3,4,5-tetraphenylsilole
CID 139118741
1-methyl-1-[2-(1-methyl-2,3,4,5-tetraphenylsilol-1-yl)ethyl]-2,3,4,5-tetraphenylsilole
CID 13131416
tert-butyl-(1-chloro-2,3,4,5-tetraphenylsilol-1-yl)-dimethylsilane
CID 101263165
4-[5-(4-aminophenyl)-1,1-dimethyl-3,4-diphenylsilol-2-yl]aniline
CID 170897442
1-tert-butyl-1-(1-tert-butyl-2,3,4,5-tetraphenylsilol-1-yl)-2,3,4,5-tetraphenylsilole
CID 14661892
1-(diazomethyl)-1-methyl-2,3,4,5-tetraphenylsilole
CID 13180862
7,15-dimethyl-1,2,3,4,7,10,11,12,13,15-decakis-phenyl-6,8,14,16-tetraoxa-5,7,9,15-tetrasiladispiro[4.3.49.35]hexadeca-1,3,10,12-tetraene
CID 122232420
1,1,2,3-tetramethyl-4,5-diphenylsilole
CID 15329320
2-(1,1-dimethyl-3,4-diphenyl-5-pyrimidin-2-ylsilol-2-yl)pyrimidine
CID 18792351
1-ethyl-1-methoxy-2,3,4,5-tetraphenylsilole
CID 13180868
ethane;1,1,2,5-tetramethyl-3,4-diphenylsilole
CID 163897080
2-(2,3,6,7,8,9-hexakis-phenyl-4-thiophen-2-yl-5-silaspiro[4.4]nona-1,3,6,8-tetraen-1-yl)thiophene
CID 102191393

Frequently Asked Questions

What is the IUPAC name of 1-chloro-1-methyl-2,3,4,5-tetraphenylsilole?
The IUPAC name of 1-chloro-1-methyl-2,3,4,5-tetraphenylsilole (CID 12722878) is 1-chloro-1-methyl-2,3,4,5-tetraphenylsilole.
What is the SMILES notation for 1-chloro-1-methyl-2,3,4,5-tetraphenylsilole?
The canonical SMILES for 1-chloro-1-methyl-2,3,4,5-tetraphenylsilole is C[Si]1(Cl)C(c2ccccc2)=C(c2ccccc2)C(c2ccccc2)=C1c1ccccc1.
What is the InChIKey of 1-chloro-1-methyl-2,3,4,5-tetraphenylsilole?
The InChIKey is XJVXSKVTJUPZPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23ClSi/c1-31(30)28(24-18-10-4-11-19-24)26(22-14-6-2-7-15-22)27(23-16-8-3-9-17-23)29(31)25-20-12-5-13-21-25/h2-21H,1H3.
What are the key properties of 1-chloro-1-methyl-2,3,4,5-tetraphenylsilole?
1-chloro-1-methyl-2,3,4,5-tetraphenylsilole has a molecular weight of 435.04 g/mol, XLogP of 8.11, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-1-methyl-2,3,4,5-tetraphenylsilole is sourced from PubChem (CID 12722878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).