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

C34H43SiTi — CID 173473995

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

carbanide;(3,5-dimethylphenyl)-phenyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)-(3,4,5-trimethylphenyl)silane;titanium(3+) (PubChem CID 173473995) has the molecular formula C34H43SiTi and a molecular weight of 527.67 g/mol. Its IUPAC name is carbanide;(3,5-dimethylphenyl)-phenyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)-(3,4,5-trimethylphenyl)silane;titanium(3+).

Molecular Properties

• Compound Name: carbanide;(3,5-dimethylphenyl)-phenyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)-(3,4,5-trimethylphenyl)silane;titanium(3+)
• PubChem CID: 173473995
• Molecular Formula: C34H43SiTi
• Molecular Weight: 527.67 g/mol
• Exact Mass: 527.26
• IUPAC Name: carbanide;(3,5-dimethylphenyl)-phenyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)-(3,4,5-trimethylphenyl)silane;titanium(3+)
• SMILES: CC1=[C-]C(C)([Si](c2ccccc2)(c2cc(C)cc(C)c2)c2cc(C)c(C)c(C)c2)C(C)=C1C.[CH3-].[CH3-].[Ti+3]
• InChI: InChI=1S/C32H37Si.2CH3.Ti/c1-21-15-22(2)17-30(16-21)33(29-13-11-10-12-14-29,31-18-23(3)26(6)24(4)19-31)32(9)20-25(5)27(7)28(32)8;;;/h10-19H,1-9H3;2*1H3;/q3*-1;+3
• InChIKey: BEMAYSDSPSGUCD-UHFFFAOYSA-N
• XLogP: 7.46
• TPSA: 0.00 Ų
• Rotatable Bonds: 4
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	527.67
LogP ≤ 5	7.46
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'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of carbanide;(3,5-dimethylphenyl)-phenyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)-(3,4,5-trimethylphenyl)silane;titanium(3+) (CID 173473995) is carbanide;(3,5-dimethylphenyl)-phenyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)-(3,4,5-trimethylphenyl)silane;titanium(3+).

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

The canonical SMILES for carbanide;(3,5-dimethylphenyl)-phenyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)-(3,4,5-trimethylphenyl)silane;titanium(3+) is CC1=[C-]C(C)([Si](c2ccccc2)(c2cc(C)cc(C)c2)c2cc(C)c(C)c(C)c2)C(C)=C1C.[CH3-].[CH3-].[Ti+3].

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

The InChIKey is BEMAYSDSPSGUCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H37Si.2CH3.Ti/c1-21-15-22(2)17-30(16-21)33(29-13-11-10-12-14-29,31-18-23(3)26(6)24(4)19-31)32(9)20-25(5)27(7)28(32)8;;;/h10-19H,1-9H3;2*1H3;/q3*-1;+3.

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

carbanide;(3,5-dimethylphenyl)-phenyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)-(3,4,5-trimethylphenyl)silane;titanium(3+) has a molecular weight of 527.67 g/mol, XLogP of 7.46, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for carbanide;(3,5-dimethylphenyl)-phenyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)-(3,4,5-trimethylphenyl)silane;titanium(3+) is sourced from PubChem (CID 173473995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).