bis(cyclopenta-1,3-diene);bis((2,4-difluorobenzene-3-id-1-yl)-(2,3-dimethylbutan-2-yl)-dimethylsilyl-ethylazanium);titanium(4+)

C42H64F4N2Si2Ti+2 — CID 173180311

About bis(cyclopenta-1,3-diene);bis((2,4-difluorobenzene-3-id-1-yl)-(2,3-dimethylbutan-2-yl)-dimethylsilyl-ethylazanium);titanium(4+)

bis(cyclopenta-1,3-diene);bis((2,4-difluorobenzene-3-id-1-yl)-(2,3-dimethylbutan-2-yl)-dimethylsilyl-ethylazanium);titanium(4+) (PubChem CID 173180311) has the molecular formula C42H64F4N2Si2Ti+2 and a molecular weight of 777.02 g/mol. Its IUPAC name is bis(cyclopenta-1,3-diene);bis((2,4-difluorobenzene-3-id-1-yl)-(2,3-dimethylbutan-2-yl)-dimethylsilyl-ethylazanium);titanium(4+).

Molecular Properties

• Compound Name: bis(cyclopenta-1,3-diene);bis((2,4-difluorobenzene-3-id-1-yl)-(2,3-dimethylbutan-2-yl)-dimethylsilyl-ethylazanium);titanium(4+)
• PubChem CID: 173180311
• Molecular Formula: C42H64F4N2Si2Ti+2
• Molecular Weight: 777.02 g/mol
• Exact Mass: 776.40
• IUPAC Name: bis(cyclopenta-1,3-diene);bis((2,4-difluorobenzene-3-id-1-yl)-(2,3-dimethylbutan-2-yl)-dimethylsilyl-ethylazanium);titanium(4+)
• SMILES: CC[N+](c1ccc(F)[c-]c1F)([SiH](C)C)C(C)(C)C(C)C.CC[N+](c1ccc(F)[c-]c1F)([SiH](C)C)C(C)(C)C(C)C.[C-]1=CC=CC1.[C-]1=CC=CC1.[Ti+4]
• InChI: InChI=1S/2C16H27F2NSi.2C5H5.Ti/c2*1-8-19(20(6)7,16(4,5)12(2)3)15-10-9-13(17)11-14(15)18;2*1-2-4-5-3-1;/h2*9-10,12,20H,8H2,1-7H3;2*1-3H,4H2;/q;;2*-1;+4
• InChIKey: ODFFMCYUDLCBAB-UHFFFAOYSA-N
• XLogP: 11.63
• TPSA: 0.00 Ų
• Rotatable Bonds: 10
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	777.02
LogP ≤ 5	11.63
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 bis(cyclopenta-1,3-diene);bis((2,4-difluorobenzene-3-id-1-yl)-(2,3-dimethylbutan-2-yl)-dimethylsilyl-ethylazanium);titanium(4+)?

The IUPAC name of bis(cyclopenta-1,3-diene);bis((2,4-difluorobenzene-3-id-1-yl)-(2,3-dimethylbutan-2-yl)-dimethylsilyl-ethylazanium);titanium(4+) (CID 173180311) is bis(cyclopenta-1,3-diene);bis((2,4-difluorobenzene-3-id-1-yl)-(2,3-dimethylbutan-2-yl)-dimethylsilyl-ethylazanium);titanium(4+).

What is the SMILES notation for bis(cyclopenta-1,3-diene);bis((2,4-difluorobenzene-3-id-1-yl)-(2,3-dimethylbutan-2-yl)-dimethylsilyl-ethylazanium);titanium(4+)?

The canonical SMILES for bis(cyclopenta-1,3-diene);bis((2,4-difluorobenzene-3-id-1-yl)-(2,3-dimethylbutan-2-yl)-dimethylsilyl-ethylazanium);titanium(4+) is CC[N+](c1ccc(F)[c-]c1F)([SiH](C)C)C(C)(C)C(C)C.CC[N+](c1ccc(F)[c-]c1F)([SiH](C)C)C(C)(C)C(C)C.[C-]1=CC=CC1.[C-]1=CC=CC1.[Ti+4].

What is the InChIKey of bis(cyclopenta-1,3-diene);bis((2,4-difluorobenzene-3-id-1-yl)-(2,3-dimethylbutan-2-yl)-dimethylsilyl-ethylazanium);titanium(4+)?

The InChIKey is ODFFMCYUDLCBAB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C16H27F2NSi.2C5H5.Ti/c2*1-8-19(20(6)7,16(4,5)12(2)3)15-10-9-13(17)11-14(15)18;2*1-2-4-5-3-1;/h2*9-10,12,20H,8H2,1-7H3;2*1-3H,4H2;/q;;2*-1;+4.

What are the key properties of bis(cyclopenta-1,3-diene);bis((2,4-difluorobenzene-3-id-1-yl)-(2,3-dimethylbutan-2-yl)-dimethylsilyl-ethylazanium);titanium(4+)?

bis(cyclopenta-1,3-diene);bis((2,4-difluorobenzene-3-id-1-yl)-(2,3-dimethylbutan-2-yl)-dimethylsilyl-ethylazanium);titanium(4+) has a molecular weight of 777.02 g/mol, XLogP of 11.63, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for bis(cyclopenta-1,3-diene);bis((2,4-difluorobenzene-3-id-1-yl)-(2,3-dimethylbutan-2-yl)-dimethylsilyl-ethylazanium);titanium(4+) is sourced from PubChem (CID 173180311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).