titanium(4+);tris(2-methyl-3,4,5,6-tetraphenylphenyl)-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane;trichloride

C102H81Cl3SiTi — CID 173473392

IUPACtitanium(4+);tris(2-methyl-3,4,5,6-tetraphenylphenyl)-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane;trichloride
SMILESCC1=[C-]C(C)([Si](c2c(C)c(-c3ccccc3)c(-c3ccccc3)c(-c3ccccc3)c2-c2ccccc2)(c2c(C)c(-c3ccccc3)c(-c3ccccc3)c(-c3ccccc3)c2-c2ccccc2)c2c(C)c(-c3ccccc3)c(-c3ccccc3)c(-c3ccccc3)c2-c2ccccc2)C(C)=C1C.[Cl-].[Cl-].[Cl-].[Ti+4]
InChIInChI=1S/C102H81Si.3ClH.Ti/c1-69-68-102(7,74(6)70(69)2)103(99-71(3)87(75-44-20-8-21-45-75)90(78-50-26-11-27-51-78)93(81-56-32-14-33-57-81)96(99)84-62-38-17-39-63-84,100-72(4)88(76-46-22-9-23-47-76)91(79-52-28-12-29-53-79)94(82-58-34-15-35-59-82)97(100)85-64-40-18-41-65-85)101-73(5)89(77-48-24-10-25-49-77)92(80-54-30-13-31-55-80)95(83-60-36-16-37-61-83)98(101)86-66-42-19-43-67-86;;;;/h8-67H,1-7H3;3*1H;/q-1;;;;+4/p-3
InChIKeyMMAPHTVAGQVRHJ-UHFFFAOYSA-K
MW1489.08 g/mol
LogP16.96
Rot. Bonds16

About titanium(4+);tris(2-methyl-3,4,5,6-tetraphenylphenyl)-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane;trichloride

titanium(4+);tris(2-methyl-3,4,5,6-tetraphenylphenyl)-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane;trichloride (PubChem CID 173473392) has the molecular formula C102H81Cl3SiTi and a molecular weight of 1489.08 g/mol. Its IUPAC name is titanium(4+);tris(2-methyl-3,4,5,6-tetraphenylphenyl)-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane;trichloride.

Molecular Properties

Compound Nametitanium(4+);tris(2-methyl-3,4,5,6-tetraphenylphenyl)-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane;trichloride
PubChem CID173473392
Molecular FormulaC102H81Cl3SiTi
Molecular Weight1489.08 g/mol
Exact Mass1486.47
IUPAC Nametitanium(4+);tris(2-methyl-3,4,5,6-tetraphenylphenyl)-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane;trichloride
SMILESCC1=[C-]C(C)([Si](c2c(C)c(-c3ccccc3)c(-c3ccccc3)c(-c3ccccc3)c2-c2ccccc2)(c2c(C)c(-c3ccccc3)c(-c3ccccc3)c(-c3ccccc3)c2-c2ccccc2)c2c(C)c(-c3ccccc3)c(-c3ccccc3)c(-c3ccccc3)c2-c2ccccc2)C(C)=C1C.[Cl-].[Cl-].[Cl-].[Ti+4]
InChIInChI=1S/C102H81Si.3ClH.Ti/c1-69-68-102(7,74(6)70(69)2)103(99-71(3)87(75-44-20-8-21-45-75)90(78-50-26-11-27-51-78)93(81-56-32-14-33-57-81)96(99)84-62-38-17-39-63-84,100-72(4)88(76-46-22-9-23-47-76)91(79-52-28-12-29-53-79)94(82-58-34-15-35-59-82)97(100)85-64-40-18-41-65-85)101-73(5)89(77-48-24-10-25-49-77)92(80-54-30-13-31-55-80)95(83-60-36-16-37-61-83)98(101)86-66-42-19-43-67-86;;;;/h8-67H,1-7H3;3*1H;/q-1;;;;+4/p-3
InChIKeyMMAPHTVAGQVRHJ-UHFFFAOYSA-K
XLogP16.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds16
Heavy Atoms107
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001489.08
LogP ≤ 516.96
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'}

Analyze titanium(4+);tris(2-methyl-3,4,5,6-tetraphenylphenyl)-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane;trichloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of titanium(4+);tris(2-methyl-3,4,5,6-tetraphenylphenyl)-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane;trichloride?
The IUPAC name of titanium(4+);tris(2-methyl-3,4,5,6-tetraphenylphenyl)-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane;trichloride (CID 173473392) is titanium(4+);tris(2-methyl-3,4,5,6-tetraphenylphenyl)-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane;trichloride.
What is the SMILES notation for titanium(4+);tris(2-methyl-3,4,5,6-tetraphenylphenyl)-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane;trichloride?
The canonical SMILES for titanium(4+);tris(2-methyl-3,4,5,6-tetraphenylphenyl)-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane;trichloride is CC1=[C-]C(C)([Si](c2c(C)c(-c3ccccc3)c(-c3ccccc3)c(-c3ccccc3)c2-c2ccccc2)(c2c(C)c(-c3ccccc3)c(-c3ccccc3)c(-c3ccccc3)c2-c2ccccc2)c2c(C)c(-c3ccccc3)c(-c3ccccc3)c(-c3ccccc3)c2-c2ccccc2)C(C)=C1C.[Cl-].[Cl-].[Cl-].[Ti+4].
What is the InChIKey of titanium(4+);tris(2-methyl-3,4,5,6-tetraphenylphenyl)-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane;trichloride?
The InChIKey is MMAPHTVAGQVRHJ-UHFFFAOYSA-K. The full InChI is InChI=1S/C102H81Si.3ClH.Ti/c1-69-68-102(7,74(6)70(69)2)103(99-71(3)87(75-44-20-8-21-45-75)90(78-50-26-11-27-51-78)93(81-56-32-14-33-57-81)96(99)84-62-38-17-39-63-84,100-72(4)88(76-46-22-9-23-47-76)91(79-52-28-12-29-53-79)94(82-58-34-15-35-59-82)97(100)85-64-40-18-41-65-85)101-73(5)89(77-48-24-10-25-49-77)92(80-54-30-13-31-55-80)95(83-60-36-16-37-61-83)98(101)86-66-42-19-43-67-86;;;;/h8-67H,1-7H3;3*1H;/q-1;;;;+4/p-3.
What are the key properties of titanium(4+);tris(2-methyl-3,4,5,6-tetraphenylphenyl)-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane;trichloride?
titanium(4+);tris(2-methyl-3,4,5,6-tetraphenylphenyl)-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane;trichloride has a molecular weight of 1489.08 g/mol, XLogP of 16.96, 16 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for titanium(4+);tris(2-methyl-3,4,5,6-tetraphenylphenyl)-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane;trichloride is sourced from PubChem (CID 173473392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).