carbanide;dichlorozirconium(2+);methyl-bis(5-methyl-4b,9b,10,10a-tetrahydro-4aH-indeno[1,2-b]indol-10-yl)-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane

C45H62Cl2N2OSiZr — CID 162293401

About carbanide;dichlorozirconium(2+);methyl-bis(5-methyl-4b,9b,10,10a-tetrahydro-4aH-indeno[1,2-b]indol-10-yl)-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane

carbanide;dichlorozirconium(2+);methyl-bis(5-methyl-4b,9b,10,10a-tetrahydro-4aH-indeno[1,2-b]indol-10-yl)-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane (PubChem CID 162293401) has the molecular formula C45H62Cl2N2OSiZr and a molecular weight of 837.22 g/mol. Its IUPAC name is carbanide;dichlorozirconium(2+);methyl-bis(5-methyl-4b,9b,10,10a-tetrahydro-4aH-indeno[1,2-b]indol-10-yl)-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane.

Molecular Properties

• Compound Name: carbanide;dichlorozirconium(2+);methyl-bis(5-methyl-4b,9b,10,10a-tetrahydro-4aH-indeno[1,2-b]indol-10-yl)-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane
• PubChem CID: 162293401
• Molecular Formula: C45H62Cl2N2OSiZr
• Molecular Weight: 837.22 g/mol
• Exact Mass: 834.31
• IUPAC Name: carbanide;dichlorozirconium(2+);methyl-bis(5-methyl-4b,9b,10,10a-tetrahydro-4aH-indeno[1,2-b]indol-10-yl)-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane
• SMILES: CN1c2ccccc2C2C1C1C=CC=CC1C2[Si](C)(CCCCCCOC(C)(C)C)C1C2C=CC=CC2C2C1c1ccccc1N2C.Cl[Zr+2]Cl.[CH3-].[CH3-]
• InChI: InChI=1S/C43H56N2OSi.2CH3.2ClH.Zr/c1-43(2,3)46-27-17-7-8-18-28-47(6,41-31-21-11-9-19-29(31)39-37(41)33-23-13-15-25-35(33)44(39)4)42-32-22-12-10-20-30(32)40-38(42)34-24-14-16-26-36(34)45(40)5;;;;;/h9-16,19-26,29-32,37-42H,7-8,17-18,27-28H2,1-6H3;2*1H3;2*1H;/q;2*-1;;;+4/p-2
• InChIKey: FSLUDYKXICFSEW-UHFFFAOYSA-L
• XLogP: 12.41
• TPSA: 15.71 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 9
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	837.22
LogP ≤ 5	12.41
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

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 carbanide;dichlorozirconium(2+);methyl-bis(5-methyl-4b,9b,10,10a-tetrahydro-4aH-indeno[1,2-b]indol-10-yl)-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane?

The IUPAC name of carbanide;dichlorozirconium(2+);methyl-bis(5-methyl-4b,9b,10,10a-tetrahydro-4aH-indeno[1,2-b]indol-10-yl)-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane (CID 162293401) is carbanide;dichlorozirconium(2+);methyl-bis(5-methyl-4b,9b,10,10a-tetrahydro-4aH-indeno[1,2-b]indol-10-yl)-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane.

What is the SMILES notation for carbanide;dichlorozirconium(2+);methyl-bis(5-methyl-4b,9b,10,10a-tetrahydro-4aH-indeno[1,2-b]indol-10-yl)-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane?

The canonical SMILES for carbanide;dichlorozirconium(2+);methyl-bis(5-methyl-4b,9b,10,10a-tetrahydro-4aH-indeno[1,2-b]indol-10-yl)-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane is CN1c2ccccc2C2C1C1C=CC=CC1C2[Si](C)(CCCCCCOC(C)(C)C)C1C2C=CC=CC2C2C1c1ccccc1N2C.Cl[Zr+2]Cl.[CH3-].[CH3-].

What is the InChIKey of carbanide;dichlorozirconium(2+);methyl-bis(5-methyl-4b,9b,10,10a-tetrahydro-4aH-indeno[1,2-b]indol-10-yl)-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane?

The InChIKey is FSLUDYKXICFSEW-UHFFFAOYSA-L. The full InChI is InChI=1S/C43H56N2OSi.2CH3.2ClH.Zr/c1-43(2,3)46-27-17-7-8-18-28-47(6,41-31-21-11-9-19-29(31)39-37(41)33-23-13-15-25-35(33)44(39)4)42-32-22-12-10-20-30(32)40-38(42)34-24-14-16-26-36(34)45(40)5;;;;;/h9-16,19-26,29-32,37-42H,7-8,17-18,27-28H2,1-6H3;2*1H3;2*1H;/q;2*-1;;;+4/p-2.

What are the key properties of carbanide;dichlorozirconium(2+);methyl-bis(5-methyl-4b,9b,10,10a-tetrahydro-4aH-indeno[1,2-b]indol-10-yl)-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane?

carbanide;dichlorozirconium(2+);methyl-bis(5-methyl-4b,9b,10,10a-tetrahydro-4aH-indeno[1,2-b]indol-10-yl)-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane has a molecular weight of 837.22 g/mol, XLogP of 12.41, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for carbanide;dichlorozirconium(2+);methyl-bis(5-methyl-4b,9b,10,10a-tetrahydro-4aH-indeno[1,2-b]indol-10-yl)-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane is sourced from PubChem (CID 162293401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).