titanium(4+);tris(3-methylphenyl)-(2-phenylcyclopenta-1,3-dien-1-yl)silane;trichloride

C32H29Cl3SiTi — CID 173463788

IUPACtitanium(4+);tris(3-methylphenyl)-(2-phenylcyclopenta-1,3-dien-1-yl)silane;trichloride
SMILESCc1cccc([Si](C2=C(c3ccccc3)[C-]=CC2)(c2cccc(C)c2)c2cccc(C)c2)c1.[Cl-].[Cl-].[Cl-].[Ti+4]
InChIInChI=1S/C32H29Si.3ClH.Ti/c1-24-11-7-16-28(21-24)33(29-17-8-12-25(2)22-29,30-18-9-13-26(3)23-30)32-20-10-19-31(32)27-14-5-4-6-15-27;;;;/h4-18,21-23H,20H2,1-3H3;3*1H;/q-1;;;;+4/p-3
InChIKeyNHZFNMPXDOILQV-UHFFFAOYSA-K
MW595.90 g/mol
LogP-3.15
Rot. Bonds5

About titanium(4+);tris(3-methylphenyl)-(2-phenylcyclopenta-1,3-dien-1-yl)silane;trichloride

titanium(4+);tris(3-methylphenyl)-(2-phenylcyclopenta-1,3-dien-1-yl)silane;trichloride (PubChem CID 173463788) has the molecular formula C32H29Cl3SiTi and a molecular weight of 595.90 g/mol. Its IUPAC name is titanium(4+);tris(3-methylphenyl)-(2-phenylcyclopenta-1,3-dien-1-yl)silane;trichloride.

Molecular Properties

Compound Nametitanium(4+);tris(3-methylphenyl)-(2-phenylcyclopenta-1,3-dien-1-yl)silane;trichloride
PubChem CID173463788
Molecular FormulaC32H29Cl3SiTi
Molecular Weight595.90 g/mol
Exact Mass594.06
IUPAC Nametitanium(4+);tris(3-methylphenyl)-(2-phenylcyclopenta-1,3-dien-1-yl)silane;trichloride
SMILESCc1cccc([Si](C2=C(c3ccccc3)[C-]=CC2)(c2cccc(C)c2)c2cccc(C)c2)c1.[Cl-].[Cl-].[Cl-].[Ti+4]
InChIInChI=1S/C32H29Si.3ClH.Ti/c1-24-11-7-16-28(21-24)33(29-17-8-12-25(2)22-29,30-18-9-13-26(3)23-30)32-20-10-19-31(32)27-14-5-4-6-15-27;;;;/h4-18,21-23H,20H2,1-3H3;3*1H;/q-1;;;;+4/p-3
InChIKeyNHZFNMPXDOILQV-UHFFFAOYSA-K
XLogP-3.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500595.90
LogP ≤ 5-3.15
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(3-methylphenyl)-(2-phenylcyclopenta-1,3-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

Related Compounds

titanium(4+);tris(3,5-dimethylphenyl)-(2-phenylcyclopenta-1,3-dien-1-yl)silane;trichloride
CID 173383422
(2,4-dimethylcyclopenta-1,3-dien-1-yl)-tris(3-methylphenyl)silane;titanium(4+);trichloride
CID 173383979
cyclopenta-1,3-dien-1-yl-(3-methylphenyl)-diphenylsilane
CID 21188975
[3-[diphenyl-(3-phenylphenyl)silyl]-5-methylphenyl]-diphenyl-(3-phenylphenyl)silane
CID 170660172
dihydroxy-bis(3-methylphenyl)silane;dihydroxy(diphenyl)silane
CID 18695123
tris(3-methylphenyl)-triphenylsilyloxysilane
CID 5140856
1-methyl-3-[4-(4-phenylphenyl)phenyl]benzene
CID 58879503
ethane;1-methyl-3-phenylbenzene
CID 142040878
1-(cyclodecapentaenyl)-5-methylcyclodeca-1,3,5,7,9-pentaene
CID 123859615
ethane;1-methyl-3-(3-phenylphenyl)benzene
CID 163289488
1-(3-methylphenyl)-3-phenyl-5-(3-phenylphenyl)benzene
CID 123280286
ethane;1-methyl-3-[4-(4-phenylphenyl)phenyl]benzene
CID 142439051

Frequently Asked Questions

What is the IUPAC name of titanium(4+);tris(3-methylphenyl)-(2-phenylcyclopenta-1,3-dien-1-yl)silane;trichloride?
The IUPAC name of titanium(4+);tris(3-methylphenyl)-(2-phenylcyclopenta-1,3-dien-1-yl)silane;trichloride (CID 173463788) is titanium(4+);tris(3-methylphenyl)-(2-phenylcyclopenta-1,3-dien-1-yl)silane;trichloride.
What is the SMILES notation for titanium(4+);tris(3-methylphenyl)-(2-phenylcyclopenta-1,3-dien-1-yl)silane;trichloride?
The canonical SMILES for titanium(4+);tris(3-methylphenyl)-(2-phenylcyclopenta-1,3-dien-1-yl)silane;trichloride is Cc1cccc([Si](C2=C(c3ccccc3)[C-]=CC2)(c2cccc(C)c2)c2cccc(C)c2)c1.[Cl-].[Cl-].[Cl-].[Ti+4].
What is the InChIKey of titanium(4+);tris(3-methylphenyl)-(2-phenylcyclopenta-1,3-dien-1-yl)silane;trichloride?
The InChIKey is NHZFNMPXDOILQV-UHFFFAOYSA-K. The full InChI is InChI=1S/C32H29Si.3ClH.Ti/c1-24-11-7-16-28(21-24)33(29-17-8-12-25(2)22-29,30-18-9-13-26(3)23-30)32-20-10-19-31(32)27-14-5-4-6-15-27;;;;/h4-18,21-23H,20H2,1-3H3;3*1H;/q-1;;;;+4/p-3.
What are the key properties of titanium(4+);tris(3-methylphenyl)-(2-phenylcyclopenta-1,3-dien-1-yl)silane;trichloride?
titanium(4+);tris(3-methylphenyl)-(2-phenylcyclopenta-1,3-dien-1-yl)silane;trichloride has a molecular weight of 595.90 g/mol, XLogP of -3.15, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for titanium(4+);tris(3-methylphenyl)-(2-phenylcyclopenta-1,3-dien-1-yl)silane;trichloride is sourced from PubChem (CID 173463788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).