chloro-(2,5-dimethylphenyl)-(3,5-dimethylphenyl)-phenylsilane

C22H23ClSi — CID 88962443

IUPACchloro-(2,5-dimethylphenyl)-(3,5-dimethylphenyl)-phenylsilane
SMILESCc1cc(C)cc([Si](Cl)(c2ccccc2)c2cc(C)ccc2C)c1
InChIInChI=1S/C22H23ClSi/c1-16-10-11-19(4)22(15-16)24(23,20-8-6-5-7-9-20)21-13-17(2)12-18(3)14-21/h5-15H,1-4H3
InChIKeyJYPGRHRPZYUICG-UHFFFAOYSA-N
MW350.97 g/mol
LogP4.13
Rot. Bonds3

About chloro-(2,5-dimethylphenyl)-(3,5-dimethylphenyl)-phenylsilane

chloro-(2,5-dimethylphenyl)-(3,5-dimethylphenyl)-phenylsilane (PubChem CID 88962443) has the molecular formula C22H23ClSi and a molecular weight of 350.97 g/mol. Its IUPAC name is chloro-(2,5-dimethylphenyl)-(3,5-dimethylphenyl)-phenylsilane.

Molecular Properties

Compound Namechloro-(2,5-dimethylphenyl)-(3,5-dimethylphenyl)-phenylsilane
PubChem CID88962443
Molecular FormulaC22H23ClSi
Molecular Weight350.97 g/mol
Exact Mass350.13
IUPAC Namechloro-(2,5-dimethylphenyl)-(3,5-dimethylphenyl)-phenylsilane
SMILESCc1cc(C)cc([Si](Cl)(c2ccccc2)c2cc(C)ccc2C)c1
InChIInChI=1S/C22H23ClSi/c1-16-10-11-19(4)22(15-16)24(23,20-8-6-5-7-9-20)21-13-17(2)12-18(3)14-21/h5-15H,1-4H3
InChIKeyJYPGRHRPZYUICG-UHFFFAOYSA-N
XLogP4.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.97
LogP ≤ 54.13
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': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

chloro-(3,5-dimethylphenyl)-bis(3-methylphenyl)silane
CID 88962318
chloro-bis(2,3-dimethylphenyl)-(3,5-dimethylphenyl)silane
CID 88962238
chloro-(3,5-dimethylphenyl)-bis(3-trimethylsilylphenyl)silane
CID 88962825
chloro-bis(3,5-dimethylphenyl)-(3-trimethylsilylphenyl)silane
CID 88962861
bis(2,5-dimethylphenyl)-(3,5-dimethylphenyl)-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane;carbanide;titanium(3+)
CID 173473707
1,2,3,5-tetramethylbenzene;1,2,3-trimethylbenzene;bis(1,2,4-trimethylbenzene);1,3,5-trimethylbenzene;trimethyl-(2-methylphenyl)silane;trimethyl-(3-methylphenyl)silane;trimethyl-(4-methylphenyl)silane;trimethyl-(2-methyl-3-trimethylsilylphenyl)silane
CID 157205321
tris(2-benzyl-5-methylphenyl)-chlorosilane
CID 88962364
chloro-(3,5-dimethylphenyl)-bis(3-methyl-5-trimethylsilylphenyl)silane
CID 88962741
chloro-tris(2,5-dimethyl-3-phenylphenyl)silane
CID 88962543
trichloro-(3,5-dimethylphenyl)silane
CID 68659977
1,1'-biphenyl;ethane;naphthalene;1,2,3-trimethylbenzene;1,2,4-trimethylbenzene;1,3,5-trimethylbenzene
CID 159707891
1,2,3,5-tetramethylbenzene;1,2,4,5-tetramethylbenzene;toluene;1,2,3-trimethylbenzene;1,2,4-trimethylbenzene;1,3,5-trimethylbenzene;1,2-xylene;1,3-xylene;1,4-xylene
CID 159639769

Frequently Asked Questions

What is the IUPAC name of chloro-(2,5-dimethylphenyl)-(3,5-dimethylphenyl)-phenylsilane?
The IUPAC name of chloro-(2,5-dimethylphenyl)-(3,5-dimethylphenyl)-phenylsilane (CID 88962443) is chloro-(2,5-dimethylphenyl)-(3,5-dimethylphenyl)-phenylsilane.
What is the SMILES notation for chloro-(2,5-dimethylphenyl)-(3,5-dimethylphenyl)-phenylsilane?
The canonical SMILES for chloro-(2,5-dimethylphenyl)-(3,5-dimethylphenyl)-phenylsilane is Cc1cc(C)cc([Si](Cl)(c2ccccc2)c2cc(C)ccc2C)c1.
What is the InChIKey of chloro-(2,5-dimethylphenyl)-(3,5-dimethylphenyl)-phenylsilane?
The InChIKey is JYPGRHRPZYUICG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClSi/c1-16-10-11-19(4)22(15-16)24(23,20-8-6-5-7-9-20)21-13-17(2)12-18(3)14-21/h5-15H,1-4H3.
What are the key properties of chloro-(2,5-dimethylphenyl)-(3,5-dimethylphenyl)-phenylsilane?
chloro-(2,5-dimethylphenyl)-(3,5-dimethylphenyl)-phenylsilane has a molecular weight of 350.97 g/mol, XLogP of 4.13, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-(2,5-dimethylphenyl)-(3,5-dimethylphenyl)-phenylsilane is sourced from PubChem (CID 88962443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).