dichlorozirconium(2+);fluoren-9-id-9-yl-methyl-[2-methyl-4-(9-methylcarbazol-3-yl)inden-1-id-1-yl]-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane

C47H49Cl2NOSiZr — CID 168786516

About dichlorozirconium(2+);fluoren-9-id-9-yl-methyl-[2-methyl-4-(9-methylcarbazol-3-yl)inden-1-id-1-yl]-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane

dichlorozirconium(2+);fluoren-9-id-9-yl-methyl-[2-methyl-4-(9-methylcarbazol-3-yl)inden-1-id-1-yl]-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane (PubChem CID 168786516) has the molecular formula C47H49Cl2NOSiZr and a molecular weight of 834.13 g/mol. Its IUPAC name is dichlorozirconium(2+);fluoren-9-id-9-yl-methyl-[2-methyl-4-(9-methylcarbazol-3-yl)inden-1-id-1-yl]-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane.

Molecular Properties

• Compound Name: dichlorozirconium(2+);fluoren-9-id-9-yl-methyl-[2-methyl-4-(9-methylcarbazol-3-yl)inden-1-id-1-yl]-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane
• PubChem CID: 168786516
• Molecular Formula: C47H49Cl2NOSiZr
• Molecular Weight: 834.13 g/mol
• Exact Mass: 831.20
• IUPAC Name: dichlorozirconium(2+);fluoren-9-id-9-yl-methyl-[2-methyl-4-(9-methylcarbazol-3-yl)inden-1-id-1-yl]-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane
• SMILES: Cc1cc2c(-c3ccc4c(c3)c3ccccc3n4C)cccc2[c-]1[Si](C)(CCCCCCOC(C)(C)C)[c-]1c2ccccc2c2ccccc21.Cl[Zr+2]Cl
• InChI: InChI=1S/C47H49NOSi.2ClH.Zr/c1-32-30-41-34(33-26-27-44-42(31-33)37-20-13-14-25-43(37)48(44)5)23-17-24-40(41)45(32)50(6,29-16-8-7-15-28-49-47(2,3)4)46-38-21-11-9-18-35(38)36-19-10-12-22-39(36)46;;;/h9-14,17-27,30-31H,7-8,15-16,28-29H2,1-6H3;2*1H;/q-2;;;+4/p-2
• InChIKey: ZSFMTYVRMMMDKH-UHFFFAOYSA-L
• XLogP: 13.15
• TPSA: 14.16 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 10
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	834.13
LogP ≤ 5	13.15
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-[2-methyl-4-(9-methylcarbazol-3-yl)inden-1-id-1-yl]-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane?

The IUPAC name of dichlorozirconium(2+);fluoren-9-id-9-yl-methyl-[2-methyl-4-(9-methylcarbazol-3-yl)inden-1-id-1-yl]-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane (CID 168786516) is dichlorozirconium(2+);fluoren-9-id-9-yl-methyl-[2-methyl-4-(9-methylcarbazol-3-yl)inden-1-id-1-yl]-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane.

What is the SMILES notation for dichlorozirconium(2+);fluoren-9-id-9-yl-methyl-[2-methyl-4-(9-methylcarbazol-3-yl)inden-1-id-1-yl]-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane?

The canonical SMILES for dichlorozirconium(2+);fluoren-9-id-9-yl-methyl-[2-methyl-4-(9-methylcarbazol-3-yl)inden-1-id-1-yl]-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane is Cc1cc2c(-c3ccc4c(c3)c3ccccc3n4C)cccc2[c-]1[Si](C)(CCCCCCOC(C)(C)C)[c-]1c2ccccc2c2ccccc21.Cl[Zr+2]Cl.

What is the InChIKey of dichlorozirconium(2+);fluoren-9-id-9-yl-methyl-[2-methyl-4-(9-methylcarbazol-3-yl)inden-1-id-1-yl]-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane?

The InChIKey is ZSFMTYVRMMMDKH-UHFFFAOYSA-L. The full InChI is InChI=1S/C47H49NOSi.2ClH.Zr/c1-32-30-41-34(33-26-27-44-42(31-33)37-20-13-14-25-43(37)48(44)5)23-17-24-40(41)45(32)50(6,29-16-8-7-15-28-49-47(2,3)4)46-38-21-11-9-18-35(38)36-19-10-12-22-39(36)46;;;/h9-14,17-27,30-31H,7-8,15-16,28-29H2,1-6H3;2*1H;/q-2;;;+4/p-2.

What are the key properties of dichlorozirconium(2+);fluoren-9-id-9-yl-methyl-[2-methyl-4-(9-methylcarbazol-3-yl)inden-1-id-1-yl]-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane?

dichlorozirconium(2+);fluoren-9-id-9-yl-methyl-[2-methyl-4-(9-methylcarbazol-3-yl)inden-1-id-1-yl]-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane has a molecular weight of 834.13 g/mol, XLogP of 13.15, 10 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-[2-methyl-4-(9-methylcarbazol-3-yl)inden-1-id-1-yl]-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane is sourced from PubChem (CID 168786516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).