1H-inden-1-yl-methyl-[2-methyl-4-(9-methylcarbazol-3-yl)-1H-inden-1-yl]-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane

C43H49NOSi — CID 168786477

About 1H-inden-1-yl-methyl-[2-methyl-4-(9-methylcarbazol-3-yl)-1H-inden-1-yl]-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane

1H-inden-1-yl-methyl-[2-methyl-4-(9-methylcarbazol-3-yl)-1H-inden-1-yl]-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane (PubChem CID 168786477) has the molecular formula C43H49NOSi and a molecular weight of 623.96 g/mol. Its IUPAC name is 1H-inden-1-yl-methyl-[2-methyl-4-(9-methylcarbazol-3-yl)-1H-inden-1-yl]-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane.

Molecular Properties

• Compound Name: 1H-inden-1-yl-methyl-[2-methyl-4-(9-methylcarbazol-3-yl)-1H-inden-1-yl]-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane
• PubChem CID: 168786477
• Molecular Formula: C43H49NOSi
• Molecular Weight: 623.96 g/mol
• Exact Mass: 623.36
• IUPAC Name: 1H-inden-1-yl-methyl-[2-methyl-4-(9-methylcarbazol-3-yl)-1H-inden-1-yl]-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane
• SMILES: CC1=Cc2c(-c3ccc4c(c3)c3ccccc3n4C)cccc2C1[Si](C)(CCCCCCOC(C)(C)C)C1C=Cc2ccccc21
• InChI: InChI=1S/C43H49NOSi/c1-30-28-37-33(32-22-24-40-38(29-32)35-18-11-12-21-39(35)44(40)5)19-15-20-36(37)42(30)46(6,27-14-8-7-13-26-45-43(2,3)4)41-25-23-31-16-9-10-17-34(31)41/h9-12,15-25,28-29,41-42H,7-8,13-14,26-27H2,1-6H3
• InChIKey: DZIXQBNLZLQSQI-UHFFFAOYSA-N
• XLogP: 11.84
• TPSA: 14.16 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 10
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	623.96
LogP ≤ 5	11.84
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': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1H-inden-1-yl-methyl-[2-methyl-4-(9-methylcarbazol-3-yl)-1H-inden-1-yl]-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane?

The IUPAC name of 1H-inden-1-yl-methyl-[2-methyl-4-(9-methylcarbazol-3-yl)-1H-inden-1-yl]-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane (CID 168786477) is 1H-inden-1-yl-methyl-[2-methyl-4-(9-methylcarbazol-3-yl)-1H-inden-1-yl]-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane.

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

The canonical SMILES for 1H-inden-1-yl-methyl-[2-methyl-4-(9-methylcarbazol-3-yl)-1H-inden-1-yl]-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane is CC1=Cc2c(-c3ccc4c(c3)c3ccccc3n4C)cccc2C1[Si](C)(CCCCCCOC(C)(C)C)C1C=Cc2ccccc21.

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

The InChIKey is DZIXQBNLZLQSQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H49NOSi/c1-30-28-37-33(32-22-24-40-38(29-32)35-18-11-12-21-39(35)44(40)5)19-15-20-36(37)42(30)46(6,27-14-8-7-13-26-45-43(2,3)4)41-25-23-31-16-9-10-17-34(31)41/h9-12,15-25,28-29,41-42H,7-8,13-14,26-27H2,1-6H3.

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

1H-inden-1-yl-methyl-[2-methyl-4-(9-methylcarbazol-3-yl)-1H-inden-1-yl]-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane has a molecular weight of 623.96 g/mol, XLogP of 11.84, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 1H-inden-1-yl-methyl-[2-methyl-4-(9-methylcarbazol-3-yl)-1H-inden-1-yl]-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane is sourced from PubChem (CID 168786477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).