dimethylsilylidenehafnium(2+);bis(2-methyl-5-[4-(4-propan-2-ylphenyl)-1H-inden-1-id-2-yl]furan);dihydrochloride

C48H50Cl2HfO2Si — CID 90370159

About dimethylsilylidenehafnium(2+);bis(2-methyl-5-[4-(4-propan-2-ylphenyl)-1H-inden-1-id-2-yl]furan);dihydrochloride

dimethylsilylidenehafnium(2+);bis(2-methyl-5-[4-(4-propan-2-ylphenyl)-1H-inden-1-id-2-yl]furan);dihydrochloride (PubChem CID 90370159) has the molecular formula C48H50Cl2HfO2Si and a molecular weight of 936.41 g/mol. Its IUPAC name is dimethylsilylidenehafnium(2+);bis(2-methyl-5-[4-(4-propan-2-ylphenyl)-1H-inden-1-id-2-yl]furan);dihydrochloride.

Molecular Properties

• Compound Name: dimethylsilylidenehafnium(2+);bis(2-methyl-5-[4-(4-propan-2-ylphenyl)-1H-inden-1-id-2-yl]furan);dihydrochloride
• PubChem CID: 90370159
• Molecular Formula: C48H50Cl2HfO2Si
• Molecular Weight: 936.41 g/mol
• Exact Mass: 936.24
• IUPAC Name: dimethylsilylidenehafnium(2+);bis(2-methyl-5-[4-(4-propan-2-ylphenyl)-1H-inden-1-id-2-yl]furan);dihydrochloride
• SMILES: C[Si](C)=[Hf+2].Cc1ccc(-c2cc3c(-c4ccc(C(C)C)cc4)cccc3[cH-]2)o1.Cc1ccc(-c2cc3c(-c4ccc(C(C)C)cc4)cccc3[cH-]2)o1.Cl.Cl
• InChI: InChI=1S/2C23H21O.C2H6Si.2ClH.Hf/c2*1-15(2)17-8-10-18(11-9-17)21-6-4-5-19-13-20(14-22(19)21)23-12-7-16(3)24-23;1-3-2;;;/h2*4-15H,1-3H3;1-2H3;2*1H;/q2*-1;;;;+2
• InChIKey: AJOVBPTYHDAIOK-UHFFFAOYSA-N
• XLogP: 15.46
• TPSA: 26.28 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	936.41
LogP ≤ 5	15.46
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

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 dimethylsilylidenehafnium(2+);bis(2-methyl-5-[4-(4-propan-2-ylphenyl)-1H-inden-1-id-2-yl]furan);dihydrochloride?

The IUPAC name of dimethylsilylidenehafnium(2+);bis(2-methyl-5-[4-(4-propan-2-ylphenyl)-1H-inden-1-id-2-yl]furan);dihydrochloride (CID 90370159) is dimethylsilylidenehafnium(2+);bis(2-methyl-5-[4-(4-propan-2-ylphenyl)-1H-inden-1-id-2-yl]furan);dihydrochloride.

What is the SMILES notation for dimethylsilylidenehafnium(2+);bis(2-methyl-5-[4-(4-propan-2-ylphenyl)-1H-inden-1-id-2-yl]furan);dihydrochloride?

The canonical SMILES for dimethylsilylidenehafnium(2+);bis(2-methyl-5-[4-(4-propan-2-ylphenyl)-1H-inden-1-id-2-yl]furan);dihydrochloride is C[Si](C)=[Hf+2].Cc1ccc(-c2cc3c(-c4ccc(C(C)C)cc4)cccc3[cH-]2)o1.Cc1ccc(-c2cc3c(-c4ccc(C(C)C)cc4)cccc3[cH-]2)o1.Cl.Cl.

What is the InChIKey of dimethylsilylidenehafnium(2+);bis(2-methyl-5-[4-(4-propan-2-ylphenyl)-1H-inden-1-id-2-yl]furan);dihydrochloride?

The InChIKey is AJOVBPTYHDAIOK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C23H21O.C2H6Si.2ClH.Hf/c2*1-15(2)17-8-10-18(11-9-17)21-6-4-5-19-13-20(14-22(19)21)23-12-7-16(3)24-23;1-3-2;;;/h2*4-15H,1-3H3;1-2H3;2*1H;/q2*-1;;;;+2.

What are the key properties of dimethylsilylidenehafnium(2+);bis(2-methyl-5-[4-(4-propan-2-ylphenyl)-1H-inden-1-id-2-yl]furan);dihydrochloride?

dimethylsilylidenehafnium(2+);bis(2-methyl-5-[4-(4-propan-2-ylphenyl)-1H-inden-1-id-2-yl]furan);dihydrochloride has a molecular weight of 936.41 g/mol, XLogP of 15.46, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for dimethylsilylidenehafnium(2+);bis(2-methyl-5-[4-(4-propan-2-ylphenyl)-1H-inden-1-id-2-yl]furan);dihydrochloride is sourced from PubChem (CID 90370159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).