methyl-[8-methyl-5-[(2,3,4,5,6-pentafluorophenyl)methyl]-4b,9b,10,10a-tetrahydro-4aH-indeno[1,2-b]indol-10-yl]-[6-[(2-methylpropan-2-yl)oxy]hexyl]-(4-phenyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silane

C49H56F5NOSi — CID 162287618

About methyl-[8-methyl-5-[(2,3,4,5,6-pentafluorophenyl)methyl]-4b,9b,10,10a-tetrahydro-4aH-indeno[1,2-b]indol-10-yl]-[6-[(2-methylpropan-2-yl)oxy]hexyl]-(4-phenyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silane

methyl-[8-methyl-5-[(2,3,4,5,6-pentafluorophenyl)methyl]-4b,9b,10,10a-tetrahydro-4aH-indeno[1,2-b]indol-10-yl]-[6-[(2-methylpropan-2-yl)oxy]hexyl]-(4-phenyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silane (PubChem CID 162287618) has the molecular formula C49H56F5NOSi and a molecular weight of 798.07 g/mol. Its IUPAC name is methyl-[8-methyl-5-[(2,3,4,5,6-pentafluorophenyl)methyl]-4b,9b,10,10a-tetrahydro-4aH-indeno[1,2-b]indol-10-yl]-[6-[(2-methylpropan-2-yl)oxy]hexyl]-(4-phenyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silane.

Molecular Properties

• Compound Name: methyl-[8-methyl-5-[(2,3,4,5,6-pentafluorophenyl)methyl]-4b,9b,10,10a-tetrahydro-4aH-indeno[1,2-b]indol-10-yl]-[6-[(2-methylpropan-2-yl)oxy]hexyl]-(4-phenyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silane
• PubChem CID: 162287618
• Molecular Formula: C49H56F5NOSi
• Molecular Weight: 798.07 g/mol
• Exact Mass: 797.41
• IUPAC Name: methyl-[8-methyl-5-[(2,3,4,5,6-pentafluorophenyl)methyl]-4b,9b,10,10a-tetrahydro-4aH-indeno[1,2-b]indol-10-yl]-[6-[(2-methylpropan-2-yl)oxy]hexyl]-(4-phenyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silane
• SMILES: Cc1ccc2c(c1)C1C(C3C=CC=CC3C1[Si](C)(CCCCCCOC(C)(C)C)C1CCC3C(c4ccccc4)=CC=CC31)N2Cc1c(F)c(F)c(F)c(F)c1F
• InChI: InChI=1S/C49H56F5NOSi/c1-30-22-24-39-37(28-30)41-47(55(39)29-38-42(50)44(52)46(54)45(53)43(38)51)35-18-11-12-19-36(35)48(41)57(5,27-14-7-6-13-26-56-49(2,3)4)40-25-23-33-32(20-15-21-34(33)40)31-16-9-8-10-17-31/h8-12,15-22,24,28,33-36,40-41,47-48H,6-7,13-14,23,25-27,29H2,1-5H3
• InChIKey: UQNZQJNOJICJGD-UHFFFAOYSA-N
• XLogP: 13.41
• TPSA: 12.47 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 12
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	798.07
LogP ≤ 5	13.41
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': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of methyl-[8-methyl-5-[(2,3,4,5,6-pentafluorophenyl)methyl]-4b,9b,10,10a-tetrahydro-4aH-indeno[1,2-b]indol-10-yl]-[6-[(2-methylpropan-2-yl)oxy]hexyl]-(4-phenyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silane?

The IUPAC name of methyl-[8-methyl-5-[(2,3,4,5,6-pentafluorophenyl)methyl]-4b,9b,10,10a-tetrahydro-4aH-indeno[1,2-b]indol-10-yl]-[6-[(2-methylpropan-2-yl)oxy]hexyl]-(4-phenyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silane (CID 162287618) is methyl-[8-methyl-5-[(2,3,4,5,6-pentafluorophenyl)methyl]-4b,9b,10,10a-tetrahydro-4aH-indeno[1,2-b]indol-10-yl]-[6-[(2-methylpropan-2-yl)oxy]hexyl]-(4-phenyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silane.

What is the SMILES notation for methyl-[8-methyl-5-[(2,3,4,5,6-pentafluorophenyl)methyl]-4b,9b,10,10a-tetrahydro-4aH-indeno[1,2-b]indol-10-yl]-[6-[(2-methylpropan-2-yl)oxy]hexyl]-(4-phenyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silane?

The canonical SMILES for methyl-[8-methyl-5-[(2,3,4,5,6-pentafluorophenyl)methyl]-4b,9b,10,10a-tetrahydro-4aH-indeno[1,2-b]indol-10-yl]-[6-[(2-methylpropan-2-yl)oxy]hexyl]-(4-phenyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silane is Cc1ccc2c(c1)C1C(C3C=CC=CC3C1[Si](C)(CCCCCCOC(C)(C)C)C1CCC3C(c4ccccc4)=CC=CC31)N2Cc1c(F)c(F)c(F)c(F)c1F.

What is the InChIKey of methyl-[8-methyl-5-[(2,3,4,5,6-pentafluorophenyl)methyl]-4b,9b,10,10a-tetrahydro-4aH-indeno[1,2-b]indol-10-yl]-[6-[(2-methylpropan-2-yl)oxy]hexyl]-(4-phenyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silane?

The InChIKey is UQNZQJNOJICJGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H56F5NOSi/c1-30-22-24-39-37(28-30)41-47(55(39)29-38-42(50)44(52)46(54)45(53)43(38)51)35-18-11-12-19-36(35)48(41)57(5,27-14-7-6-13-26-56-49(2,3)4)40-25-23-33-32(20-15-21-34(33)40)31-16-9-8-10-17-31/h8-12,15-22,24,28,33-36,40-41,47-48H,6-7,13-14,23,25-27,29H2,1-5H3.

What are the key properties of methyl-[8-methyl-5-[(2,3,4,5,6-pentafluorophenyl)methyl]-4b,9b,10,10a-tetrahydro-4aH-indeno[1,2-b]indol-10-yl]-[6-[(2-methylpropan-2-yl)oxy]hexyl]-(4-phenyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silane?

methyl-[8-methyl-5-[(2,3,4,5,6-pentafluorophenyl)methyl]-4b,9b,10,10a-tetrahydro-4aH-indeno[1,2-b]indol-10-yl]-[6-[(2-methylpropan-2-yl)oxy]hexyl]-(4-phenyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silane has a molecular weight of 798.07 g/mol, XLogP of 13.41, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for methyl-[8-methyl-5-[(2,3,4,5,6-pentafluorophenyl)methyl]-4b,9b,10,10a-tetrahydro-4aH-indeno[1,2-b]indol-10-yl]-[6-[(2-methylpropan-2-yl)oxy]hexyl]-(4-phenyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silane is sourced from PubChem (CID 162287618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).