dichloro(dimethylsilylidene)zirconium;bis(2-[5,6-dimethyl-4-(3,4,5-trimethylphenyl)-1H-inden-1-id-2-yl]-5-methylfuran)

C52H56Cl2O2SiZr-2 — CID 154439957

About dichloro(dimethylsilylidene)zirconium;bis(2-[5,6-dimethyl-4-(3,4,5-trimethylphenyl)-1H-inden-1-id-2-yl]-5-methylfuran)

dichloro(dimethylsilylidene)zirconium;bis(2-[5,6-dimethyl-4-(3,4,5-trimethylphenyl)-1H-inden-1-id-2-yl]-5-methylfuran) (PubChem CID 154439957) has the molecular formula C52H56Cl2O2SiZr-2 and a molecular weight of 903.23 g/mol. Its IUPAC name is dichloro(dimethylsilylidene)zirconium;bis(2-[5,6-dimethyl-4-(3,4,5-trimethylphenyl)-1H-inden-1-id-2-yl]-5-methylfuran).

Molecular Properties

• Compound Name: dichloro(dimethylsilylidene)zirconium;bis(2-[5,6-dimethyl-4-(3,4,5-trimethylphenyl)-1H-inden-1-id-2-yl]-5-methylfuran)
• PubChem CID: 154439957
• Molecular Formula: C52H56Cl2O2SiZr-2
• Molecular Weight: 903.23 g/mol
• Exact Mass: 900.25
• IUPAC Name: dichloro(dimethylsilylidene)zirconium;bis(2-[5,6-dimethyl-4-(3,4,5-trimethylphenyl)-1H-inden-1-id-2-yl]-5-methylfuran)
• SMILES: C[Si](C)=[Zr](Cl)Cl.Cc1ccc(-c2cc3c(-c4cc(C)c(C)c(C)c4)c(C)c(C)cc3[cH-]2)o1.Cc1ccc(-c2cc3c(-c4cc(C)c(C)c(C)c4)c(C)c(C)cc3[cH-]2)o1
• InChI: InChI=1S/2C25H25O.C2H6Si.2ClH.Zr/c2*1-14-10-22(11-15(2)18(14)5)25-19(6)16(3)9-20-12-21(13-23(20)25)24-8-7-17(4)26-24;1-3-2;;;/h2*7-13H,1-6H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2
• InChIKey: OWCRPJDFKDFKCF-UHFFFAOYSA-L
• XLogP: 16.84
• TPSA: 26.28 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	903.23
LogP ≤ 5	16.84
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 dichloro(dimethylsilylidene)zirconium;bis(2-[5,6-dimethyl-4-(3,4,5-trimethylphenyl)-1H-inden-1-id-2-yl]-5-methylfuran)?

The IUPAC name of dichloro(dimethylsilylidene)zirconium;bis(2-[5,6-dimethyl-4-(3,4,5-trimethylphenyl)-1H-inden-1-id-2-yl]-5-methylfuran) (CID 154439957) is dichloro(dimethylsilylidene)zirconium;bis(2-[5,6-dimethyl-4-(3,4,5-trimethylphenyl)-1H-inden-1-id-2-yl]-5-methylfuran).

What is the SMILES notation for dichloro(dimethylsilylidene)zirconium;bis(2-[5,6-dimethyl-4-(3,4,5-trimethylphenyl)-1H-inden-1-id-2-yl]-5-methylfuran)?

The canonical SMILES for dichloro(dimethylsilylidene)zirconium;bis(2-[5,6-dimethyl-4-(3,4,5-trimethylphenyl)-1H-inden-1-id-2-yl]-5-methylfuran) is C[Si](C)=[Zr](Cl)Cl.Cc1ccc(-c2cc3c(-c4cc(C)c(C)c(C)c4)c(C)c(C)cc3[cH-]2)o1.Cc1ccc(-c2cc3c(-c4cc(C)c(C)c(C)c4)c(C)c(C)cc3[cH-]2)o1.

What is the InChIKey of dichloro(dimethylsilylidene)zirconium;bis(2-[5,6-dimethyl-4-(3,4,5-trimethylphenyl)-1H-inden-1-id-2-yl]-5-methylfuran)?

The InChIKey is OWCRPJDFKDFKCF-UHFFFAOYSA-L. The full InChI is InChI=1S/2C25H25O.C2H6Si.2ClH.Zr/c2*1-14-10-22(11-15(2)18(14)5)25-19(6)16(3)9-20-12-21(13-23(20)25)24-8-7-17(4)26-24;1-3-2;;;/h2*7-13H,1-6H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2.

What are the key properties of dichloro(dimethylsilylidene)zirconium;bis(2-[5,6-dimethyl-4-(3,4,5-trimethylphenyl)-1H-inden-1-id-2-yl]-5-methylfuran)?

dichloro(dimethylsilylidene)zirconium;bis(2-[5,6-dimethyl-4-(3,4,5-trimethylphenyl)-1H-inden-1-id-2-yl]-5-methylfuran) has a molecular weight of 903.23 g/mol, XLogP of 16.84, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for dichloro(dimethylsilylidene)zirconium;bis(2-[5,6-dimethyl-4-(3,4,5-trimethylphenyl)-1H-inden-1-id-2-yl]-5-methylfuran) is sourced from PubChem (CID 154439957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).