carbanide;(2,3-dimethylphenyl)-methyl-(3-methyl-5-trimethylsilylphenyl)-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane;titanium(3+)

C30H45Si2Ti — CID 173474335

About carbanide;(2,3-dimethylphenyl)-methyl-(3-methyl-5-trimethylsilylphenyl)-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane;titanium(3+)

carbanide;(2,3-dimethylphenyl)-methyl-(3-methyl-5-trimethylsilylphenyl)-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane;titanium(3+) (PubChem CID 173474335) has the molecular formula C30H45Si2Ti and a molecular weight of 509.73 g/mol. Its IUPAC name is carbanide;(2,3-dimethylphenyl)-methyl-(3-methyl-5-trimethylsilylphenyl)-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane;titanium(3+).

Molecular Properties

• Compound Name: carbanide;(2,3-dimethylphenyl)-methyl-(3-methyl-5-trimethylsilylphenyl)-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane;titanium(3+)
• PubChem CID: 173474335
• Molecular Formula: C30H45Si2Ti
• Molecular Weight: 509.73 g/mol
• Exact Mass: 509.25
• IUPAC Name: carbanide;(2,3-dimethylphenyl)-methyl-(3-methyl-5-trimethylsilylphenyl)-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane;titanium(3+)
• SMILES: CC1=[C-]C(C)([Si](C)(c2cc(C)cc([Si](C)(C)C)c2)c2cccc(C)c2C)C(C)=C1C.[CH3-].[CH3-].[Ti+3]
• InChI: InChI=1S/C28H39Si2.2CH3.Ti/c1-19-15-25(29(8,9)10)17-26(16-19)30(11,27-14-12-13-20(2)23(27)5)28(7)18-21(3)22(4)24(28)6;;;/h12-17H,1-11H3;2*1H3;/q3*-1;+3
• InChIKey: KUBNKUYSCXDYOZ-UHFFFAOYSA-N
• XLogP: 7.11
• TPSA: 0.00 Ų
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	509.73
LogP ≤ 5	7.11
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of carbanide;(2,3-dimethylphenyl)-methyl-(3-methyl-5-trimethylsilylphenyl)-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane;titanium(3+)?

The IUPAC name of carbanide;(2,3-dimethylphenyl)-methyl-(3-methyl-5-trimethylsilylphenyl)-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane;titanium(3+) (CID 173474335) is carbanide;(2,3-dimethylphenyl)-methyl-(3-methyl-5-trimethylsilylphenyl)-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane;titanium(3+).

What is the SMILES notation for carbanide;(2,3-dimethylphenyl)-methyl-(3-methyl-5-trimethylsilylphenyl)-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane;titanium(3+)?

The canonical SMILES for carbanide;(2,3-dimethylphenyl)-methyl-(3-methyl-5-trimethylsilylphenyl)-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane;titanium(3+) is CC1=[C-]C(C)([Si](C)(c2cc(C)cc([Si](C)(C)C)c2)c2cccc(C)c2C)C(C)=C1C.[CH3-].[CH3-].[Ti+3].

What is the InChIKey of carbanide;(2,3-dimethylphenyl)-methyl-(3-methyl-5-trimethylsilylphenyl)-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane;titanium(3+)?

The InChIKey is KUBNKUYSCXDYOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H39Si2.2CH3.Ti/c1-19-15-25(29(8,9)10)17-26(16-19)30(11,27-14-12-13-20(2)23(27)5)28(7)18-21(3)22(4)24(28)6;;;/h12-17H,1-11H3;2*1H3;/q3*-1;+3.

What are the key properties of carbanide;(2,3-dimethylphenyl)-methyl-(3-methyl-5-trimethylsilylphenyl)-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane;titanium(3+)?

carbanide;(2,3-dimethylphenyl)-methyl-(3-methyl-5-trimethylsilylphenyl)-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane;titanium(3+) has a molecular weight of 509.73 g/mol, XLogP of 7.11, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for carbanide;(2,3-dimethylphenyl)-methyl-(3-methyl-5-trimethylsilylphenyl)-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane;titanium(3+) is sourced from PubChem (CID 173474335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).