Ethane;bis(1-(2-ethyl-1H-inden-1-id-4-yl)naphthalene);phenylmethylidenesilane;titanium(4+)

C₅₁H₄₆SiTi — CID 151466825

About Ethane;bis(1-(2-ethyl-1H-inden-1-id-4-yl)naphthalene);phenylmethylidenesilane;titanium(4+)

Ethane;bis(1-(2-ethyl-1H-inden-1-id-4-yl)naphthalene);phenylmethylidenesilane;titanium(4+) (PubChem CID 151466825) has the molecular formula C₅₁H₄₆SiTi and a molecular weight of 734.88 g/mol. Its IUPAC name is ethane;bis(1-(2-ethyl-1H-inden-1-id-4-yl)naphthalene);phenylmethylidenesilane;titanium(4+).

Molecular Properties

• Compound Name: Ethane;bis(1-(2-ethyl-1H-inden-1-id-4-yl)naphthalene);phenylmethylidenesilane;titanium(4+)
• PubChem CID: 151466825
• Molecular Formula: C₅₁H₄₆SiTi
• Molecular Weight: 734.88 g/mol
• Exact Mass: 734.28
• IUPAC Name: ethane;bis(1-(2-ethyl-1H-inden-1-id-4-yl)naphthalene);phenylmethylidenesilane;titanium(4+)
• SMILES: CCc1cc2c(-c3cccc4ccccc34)cccc2[cH-]1.CCc1cc2c(-c3cccc4ccccc34)cccc2[cH-]1.[CH2-]C.[SiH2]=[C-]c1ccccc1.[Ti+4]
• InChI: InChI=1S/2C21H17.C7H7Si.C2H5.Ti/c2*1-2-15-13-17-9-6-12-20(21(17)14-15)19-11-5-8-16-7-3-4-10-18(16)19;8-6-7-4-2-1-3-5-7;1-2;/h2*3-14H,2H2,1H3;1-5H,8H2;1H2,2H3;/q4*-1;+4
• InChIKey: PJQBUQVQRVNLFS-UHFFFAOYSA-N
• XLogP: 13.07
• TPSA: 0.00 Ų
• Rotatable Bonds: 5
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	734.88
LogP ≤ 5	13.07
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 Ethane;bis(1-(2-ethyl-1H-inden-1-id-4-yl)naphthalene);phenylmethylidenesilane;titanium(4+)?

The IUPAC name of Ethane;bis(1-(2-ethyl-1H-inden-1-id-4-yl)naphthalene);phenylmethylidenesilane;titanium(4+) (CID 151466825) is ethane;bis(1-(2-ethyl-1H-inden-1-id-4-yl)naphthalene);phenylmethylidenesilane;titanium(4+).

What is the SMILES notation for Ethane;bis(1-(2-ethyl-1H-inden-1-id-4-yl)naphthalene);phenylmethylidenesilane;titanium(4+)?

The canonical SMILES for Ethane;bis(1-(2-ethyl-1H-inden-1-id-4-yl)naphthalene);phenylmethylidenesilane;titanium(4+) is CCc1cc2c(-c3cccc4ccccc34)cccc2[cH-]1.CCc1cc2c(-c3cccc4ccccc34)cccc2[cH-]1.[CH2-]C.[SiH2]=[C-]c1ccccc1.[Ti+4].

What is the InChIKey of Ethane;bis(1-(2-ethyl-1H-inden-1-id-4-yl)naphthalene);phenylmethylidenesilane;titanium(4+)?

The InChIKey is PJQBUQVQRVNLFS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C21H17.C7H7Si.C2H5.Ti/c2*1-2-15-13-17-9-6-12-20(21(17)14-15)19-11-5-8-16-7-3-4-10-18(16)19;8-6-7-4-2-1-3-5-7;1-2;/h2*3-14H,2H2,1H3;1-5H,8H2;1H2,2H3;/q4*-1;+4.

What are the key properties of Ethane;bis(1-(2-ethyl-1H-inden-1-id-4-yl)naphthalene);phenylmethylidenesilane;titanium(4+)?

Ethane;bis(1-(2-ethyl-1H-inden-1-id-4-yl)naphthalene);phenylmethylidenesilane;titanium(4+) has a molecular weight of 734.88 g/mol, XLogP of 13.07, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for Ethane;bis(1-(2-ethyl-1H-inden-1-id-4-yl)naphthalene);phenylmethylidenesilane;titanium(4+) is sourced from PubChem (CID 151466825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 151466825 — identifiers, structure, computed properties (public domain)

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