(3,5-dimethylphenyl)-bis(3-methylphenyl)-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane;titanium

C31H35SiTi- — CID 173474242

IUPAC(3,5-dimethylphenyl)-bis(3-methylphenyl)-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane;titanium
SMILESCC1=[C-]C(C)([Si](c2cccc(C)c2)(c2cccc(C)c2)c2cc(C)cc(C)c2)C(C)=C1C.[Ti]
InChIInChI=1S/C31H35Si.Ti/c1-21-11-9-13-28(16-21)32(29-14-10-12-22(2)17-29,30-18-23(3)15-24(4)19-30)31(8)20-25(5)26(6)27(31)7;/h9-19H,1-8H3;/q-1;
InChIKeySVEAOMKZXCWVON-UHFFFAOYSA-N
MW483.57 g/mol
LogP6.25
Rot. Bonds4

About (3,5-dimethylphenyl)-bis(3-methylphenyl)-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane;titanium

(3,5-dimethylphenyl)-bis(3-methylphenyl)-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane;titanium (PubChem CID 173474242) has the molecular formula C31H35SiTi- and a molecular weight of 483.57 g/mol. Its IUPAC name is (3,5-dimethylphenyl)-bis(3-methylphenyl)-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane;titanium.

Molecular Properties

Compound Name(3,5-dimethylphenyl)-bis(3-methylphenyl)-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane;titanium
PubChem CID173474242
Molecular FormulaC31H35SiTi-
Molecular Weight483.57 g/mol
Exact Mass483.20
IUPAC Name(3,5-dimethylphenyl)-bis(3-methylphenyl)-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane;titanium
SMILESCC1=[C-]C(C)([Si](c2cccc(C)c2)(c2cccc(C)c2)c2cc(C)cc(C)c2)C(C)=C1C.[Ti]
InChIInChI=1S/C31H35Si.Ti/c1-21-11-9-13-28(16-21)32(29-14-10-12-22(2)17-29,30-18-23(3)15-24(4)19-30)31(8)20-25(5)26(6)27(31)7;/h9-19H,1-8H3;/q-1;
InChIKeySVEAOMKZXCWVON-UHFFFAOYSA-N
XLogP6.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.57
LogP ≤ 56.25
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 (3,5-dimethylphenyl)-bis(3-methylphenyl)-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane;titanium 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 (3,5-dimethylphenyl)-bis(3-methylphenyl)-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane;titanium?
The IUPAC name of (3,5-dimethylphenyl)-bis(3-methylphenyl)-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane;titanium (CID 173474242) is (3,5-dimethylphenyl)-bis(3-methylphenyl)-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane;titanium.
What is the SMILES notation for (3,5-dimethylphenyl)-bis(3-methylphenyl)-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane;titanium?
The canonical SMILES for (3,5-dimethylphenyl)-bis(3-methylphenyl)-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane;titanium is CC1=[C-]C(C)([Si](c2cccc(C)c2)(c2cccc(C)c2)c2cc(C)cc(C)c2)C(C)=C1C.[Ti].
What is the InChIKey of (3,5-dimethylphenyl)-bis(3-methylphenyl)-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane;titanium?
The InChIKey is SVEAOMKZXCWVON-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H35Si.Ti/c1-21-11-9-13-28(16-21)32(29-14-10-12-22(2)17-29,30-18-23(3)15-24(4)19-30)31(8)20-25(5)26(6)27(31)7;/h9-19H,1-8H3;/q-1;.
What are the key properties of (3,5-dimethylphenyl)-bis(3-methylphenyl)-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane;titanium?
(3,5-dimethylphenyl)-bis(3-methylphenyl)-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane;titanium has a molecular weight of 483.57 g/mol, XLogP of 6.25, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylphenyl)-bis(3-methylphenyl)-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane;titanium is sourced from PubChem (CID 173474242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).