dichlorozirconium(2+);fluoren-9-id-9-yl-methyl-(5-methylindeno[1,2-b]indol-10-id-10-yl)-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane

C40H43Cl2NOSiZr — CID 140722441

About dichlorozirconium(2+);fluoren-9-id-9-yl-methyl-(5-methylindeno[1,2-b]indol-10-id-10-yl)-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane

dichlorozirconium(2+);fluoren-9-id-9-yl-methyl-(5-methylindeno[1,2-b]indol-10-id-10-yl)-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane (PubChem CID 140722441) has the molecular formula C40H43Cl2NOSiZr and a molecular weight of 744.01 g/mol. Its IUPAC name is dichlorozirconium(2+);fluoren-9-id-9-yl-methyl-(5-methylindeno[1,2-b]indol-10-id-10-yl)-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane.

Molecular Properties

• Compound Name: dichlorozirconium(2+);fluoren-9-id-9-yl-methyl-(5-methylindeno[1,2-b]indol-10-id-10-yl)-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane
• PubChem CID: 140722441
• Molecular Formula: C40H43Cl2NOSiZr
• Molecular Weight: 744.01 g/mol
• Exact Mass: 741.15
• IUPAC Name: dichlorozirconium(2+);fluoren-9-id-9-yl-methyl-(5-methylindeno[1,2-b]indol-10-id-10-yl)-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane
• SMILES: Cl[Zr+2]Cl.Cn1c2ccccc2c2c1c1ccccc1[c-]2[Si](C)(CCCCCCOC(C)(C)C)[c-]1c2ccccc2c2ccccc21
• InChI: InChI=1S/C40H43NOSi.2ClH.Zr/c1-40(2,3)42-26-16-6-7-17-27-43(5,38-31-21-11-8-18-28(31)29-19-9-12-22-32(29)38)39-33-23-13-10-20-30(33)37-36(39)34-24-14-15-25-35(34)41(37)4;;;/h8-15,18-25H,6-7,16-17,26-27H2,1-5H3;2*1H;/q-2;;;+4/p-2
• InChIKey: UGWMMPCLUIYSCI-UHFFFAOYSA-L
• XLogP: 11.17
• TPSA: 14.16 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 9
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	744.01
LogP ≤ 5	11.17
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of dichlorozirconium(2+);fluoren-9-id-9-yl-methyl-(5-methylindeno[1,2-b]indol-10-id-10-yl)-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane?

The IUPAC name of dichlorozirconium(2+);fluoren-9-id-9-yl-methyl-(5-methylindeno[1,2-b]indol-10-id-10-yl)-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane (CID 140722441) is dichlorozirconium(2+);fluoren-9-id-9-yl-methyl-(5-methylindeno[1,2-b]indol-10-id-10-yl)-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane.

What is the SMILES notation for dichlorozirconium(2+);fluoren-9-id-9-yl-methyl-(5-methylindeno[1,2-b]indol-10-id-10-yl)-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane?

The canonical SMILES for dichlorozirconium(2+);fluoren-9-id-9-yl-methyl-(5-methylindeno[1,2-b]indol-10-id-10-yl)-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane is Cl[Zr+2]Cl.Cn1c2ccccc2c2c1c1ccccc1[c-]2[Si](C)(CCCCCCOC(C)(C)C)[c-]1c2ccccc2c2ccccc21.

What is the InChIKey of dichlorozirconium(2+);fluoren-9-id-9-yl-methyl-(5-methylindeno[1,2-b]indol-10-id-10-yl)-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane?

The InChIKey is UGWMMPCLUIYSCI-UHFFFAOYSA-L. The full InChI is InChI=1S/C40H43NOSi.2ClH.Zr/c1-40(2,3)42-26-16-6-7-17-27-43(5,38-31-21-11-8-18-28(31)29-19-9-12-22-32(29)38)39-33-23-13-10-20-30(33)37-36(39)34-24-14-15-25-35(34)41(37)4;;;/h8-15,18-25H,6-7,16-17,26-27H2,1-5H3;2*1H;/q-2;;;+4/p-2.

What are the key properties of dichlorozirconium(2+);fluoren-9-id-9-yl-methyl-(5-methylindeno[1,2-b]indol-10-id-10-yl)-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane?

dichlorozirconium(2+);fluoren-9-id-9-yl-methyl-(5-methylindeno[1,2-b]indol-10-id-10-yl)-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane has a molecular weight of 744.01 g/mol, XLogP of 11.17, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for dichlorozirconium(2+);fluoren-9-id-9-yl-methyl-(5-methylindeno[1,2-b]indol-10-id-10-yl)-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane is sourced from PubChem (CID 140722441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).