(2,3-dimethylcyclopenta-2,4-dien-1-yl)-triphenylsilane;titanium(4+);trichloride

C25H23Cl3SiTi — CID 161432168

IUPAC(2,3-dimethylcyclopenta-2,4-dien-1-yl)-triphenylsilane;titanium(4+);trichloride
SMILESCc1cc[c-]([Si](c2ccccc2)(c2ccccc2)c2ccccc2)c1C.[Cl-].[Cl-].[Cl-].[Ti+4]
InChIInChI=1S/C25H23Si.3ClH.Ti/c1-20-18-19-25(21(20)2)26(22-12-6-3-7-13-22,23-14-8-4-9-15-23)24-16-10-5-11-17-24;;;;/h3-19H,1-2H3;3*1H;/q-1;;;;+4/p-3
InChIKeyCTBFNMLVFABVHD-UHFFFAOYSA-K
MW505.77 g/mol
LogP-5.59
Rot. Bonds4

About (2,3-dimethylcyclopenta-2,4-dien-1-yl)-triphenylsilane;titanium(4+);trichloride

(2,3-dimethylcyclopenta-2,4-dien-1-yl)-triphenylsilane;titanium(4+);trichloride (PubChem CID 161432168) has the molecular formula C25H23Cl3SiTi and a molecular weight of 505.77 g/mol. Its IUPAC name is (2,3-dimethylcyclopenta-2,4-dien-1-yl)-triphenylsilane;titanium(4+);trichloride.

Molecular Properties

Compound Name(2,3-dimethylcyclopenta-2,4-dien-1-yl)-triphenylsilane;titanium(4+);trichloride
PubChem CID161432168
Molecular FormulaC25H23Cl3SiTi
Molecular Weight505.77 g/mol
Exact Mass504.01
IUPAC Name(2,3-dimethylcyclopenta-2,4-dien-1-yl)-triphenylsilane;titanium(4+);trichloride
SMILESCc1cc[c-]([Si](c2ccccc2)(c2ccccc2)c2ccccc2)c1C.[Cl-].[Cl-].[Cl-].[Ti+4]
InChIInChI=1S/C25H23Si.3ClH.Ti/c1-20-18-19-25(21(20)2)26(22-12-6-3-7-13-22,23-14-8-4-9-15-23)24-16-10-5-11-17-24;;;;/h3-19H,1-2H3;3*1H;/q-1;;;;+4/p-3
InChIKeyCTBFNMLVFABVHD-UHFFFAOYSA-K
XLogP-5.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.77
LogP ≤ 5-5.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

(2,3-dimethylcyclopenta-2,4-dien-1-yl)-diethyl-phenylsilane;titanium(4+);trichloride
CID 173383669
inden-1-id-1-yl(triphenyl)silane;trichlorotitanium(1+)
CID 88592937
fluoro-diphenyl-trimethylsilylsilane
CID 14645014
titanium(4+);tris(4-methyl-3-phenylphenyl)-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane;trichloride
CID 173474489
[dichloro(phenyl)silyl]phosphane
CID 165358903
titanium(4+);tris(3,5-dimethylphenyl)-(2-methylcyclopenta-2,4-dien-1-yl)silane;trichloride
CID 159500211
benzene;1,2-xylene
CID 161464493
hydroxy(triphenyl)silane
CID 139058622
diethyl-phenyl-(2-phenylcyclopenta-2,4-dien-1-yl)silane;titanium(4+);trichloride
CID 173384723
cyclopenta-1,3-diene;propan-2-ylidenezirconium(2+);1,2,5-trimethylcyclopenta-1,3-diene;dichloride
CID 159998062
(4-methylphenyl)-diphenyl-triphenylsilylsilane
CID 4518674
tris(bis[dimethyl(phenyl)silyl]methyl-dimethyl-phenylsilane);chromium(3+)
CID 18669949

Frequently Asked Questions

What is the IUPAC name of (2,3-dimethylcyclopenta-2,4-dien-1-yl)-triphenylsilane;titanium(4+);trichloride?
The IUPAC name of (2,3-dimethylcyclopenta-2,4-dien-1-yl)-triphenylsilane;titanium(4+);trichloride (CID 161432168) is (2,3-dimethylcyclopenta-2,4-dien-1-yl)-triphenylsilane;titanium(4+);trichloride.
What is the SMILES notation for (2,3-dimethylcyclopenta-2,4-dien-1-yl)-triphenylsilane;titanium(4+);trichloride?
The canonical SMILES for (2,3-dimethylcyclopenta-2,4-dien-1-yl)-triphenylsilane;titanium(4+);trichloride is Cc1cc[c-]([Si](c2ccccc2)(c2ccccc2)c2ccccc2)c1C.[Cl-].[Cl-].[Cl-].[Ti+4].
What is the InChIKey of (2,3-dimethylcyclopenta-2,4-dien-1-yl)-triphenylsilane;titanium(4+);trichloride?
The InChIKey is CTBFNMLVFABVHD-UHFFFAOYSA-K. The full InChI is InChI=1S/C25H23Si.3ClH.Ti/c1-20-18-19-25(21(20)2)26(22-12-6-3-7-13-22,23-14-8-4-9-15-23)24-16-10-5-11-17-24;;;;/h3-19H,1-2H3;3*1H;/q-1;;;;+4/p-3.
What are the key properties of (2,3-dimethylcyclopenta-2,4-dien-1-yl)-triphenylsilane;titanium(4+);trichloride?
(2,3-dimethylcyclopenta-2,4-dien-1-yl)-triphenylsilane;titanium(4+);trichloride has a molecular weight of 505.77 g/mol, XLogP of -5.59, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dimethylcyclopenta-2,4-dien-1-yl)-triphenylsilane;titanium(4+);trichloride is sourced from PubChem (CID 161432168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).