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

C53H66F5NOSi — CID 140876096

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

[2-(cyclopentylmethyl)-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl]-methyl-[8-methyl-5-[(2,3,4,5,6-pentafluorophenyl)methyl]-4b,5a,9a,9b,10,10a-hexahydro-4aH-indeno[1,2-b]indol-10-yl]-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane (PubChem CID 140876096) has the molecular formula C53H66F5NOSi and a molecular weight of 856.19 g/mol. Its IUPAC name is [2-(cyclopentylmethyl)-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl]-methyl-[8-methyl-5-[(2,3,4,5,6-pentafluorophenyl)methyl]-4b,5a,9a,9b,10,10a-hexahydro-4aH-indeno[1,2-b]indol-10-yl]-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane.

Molecular Properties

• Compound Name: [2-(cyclopentylmethyl)-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl]-methyl-[8-methyl-5-[(2,3,4,5,6-pentafluorophenyl)methyl]-4b,5a,9a,9b,10,10a-hexahydro-4aH-indeno[1,2-b]indol-10-yl]-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane
• PubChem CID: 140876096
• Molecular Formula: C53H66F5NOSi
• Molecular Weight: 856.19 g/mol
• Exact Mass: 855.48
• IUPAC Name: [2-(cyclopentylmethyl)-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl]-methyl-[8-methyl-5-[(2,3,4,5,6-pentafluorophenyl)methyl]-4b,5a,9a,9b,10,10a-hexahydro-4aH-indeno[1,2-b]indol-10-yl]-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane
• SMILES: CC1=CC2C3C(C4C=CC=CC4C3[Si](C)(CCCCCCOC(C)(C)C)C3C4C=CC=CC4C4C=CC(CC5CCCC5)=CC43)N(Cc3c(F)c(F)c(F)c(F)c3F)C2C=C1
• InChI: InChI=1S/C53H66F5NOSi/c1-32-22-25-43-41(28-32)44-50(59(43)31-42-45(54)47(56)49(58)48(57)46(42)55)37-19-11-13-21-39(37)52(44)61(5,27-15-7-6-14-26-60-53(2,3)4)51-38-20-12-10-18-35(38)36-24-23-34(30-40(36)51)29-33-16-8-9-17-33/h10-13,18-25,28,30,33,35-41,43-44,50-52H,6-9,14-17,26-27,29,31H2,1-5H3
• InChIKey: UXOQVLLEQGPNOZ-UHFFFAOYSA-N
• XLogP: 13.93
• TPSA: 12.47 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 13
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	856.19
LogP ≤ 5	13.93
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 [2-(cyclopentylmethyl)-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl]-methyl-[8-methyl-5-[(2,3,4,5,6-pentafluorophenyl)methyl]-4b,5a,9a,9b,10,10a-hexahydro-4aH-indeno[1,2-b]indol-10-yl]-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane?

The IUPAC name of [2-(cyclopentylmethyl)-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl]-methyl-[8-methyl-5-[(2,3,4,5,6-pentafluorophenyl)methyl]-4b,5a,9a,9b,10,10a-hexahydro-4aH-indeno[1,2-b]indol-10-yl]-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane (CID 140876096) is [2-(cyclopentylmethyl)-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl]-methyl-[8-methyl-5-[(2,3,4,5,6-pentafluorophenyl)methyl]-4b,5a,9a,9b,10,10a-hexahydro-4aH-indeno[1,2-b]indol-10-yl]-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane.

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

The canonical SMILES for [2-(cyclopentylmethyl)-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl]-methyl-[8-methyl-5-[(2,3,4,5,6-pentafluorophenyl)methyl]-4b,5a,9a,9b,10,10a-hexahydro-4aH-indeno[1,2-b]indol-10-yl]-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane is CC1=CC2C3C(C4C=CC=CC4C3[Si](C)(CCCCCCOC(C)(C)C)C3C4C=CC=CC4C4C=CC(CC5CCCC5)=CC43)N(Cc3c(F)c(F)c(F)c(F)c3F)C2C=C1.

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

The InChIKey is UXOQVLLEQGPNOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H66F5NOSi/c1-32-22-25-43-41(28-32)44-50(59(43)31-42-45(54)47(56)49(58)48(57)46(42)55)37-19-11-13-21-39(37)52(44)61(5,27-15-7-6-14-26-60-53(2,3)4)51-38-20-12-10-18-35(38)36-24-23-34(30-40(36)51)29-33-16-8-9-17-33/h10-13,18-25,28,30,33,35-41,43-44,50-52H,6-9,14-17,26-27,29,31H2,1-5H3.

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

[2-(cyclopentylmethyl)-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl]-methyl-[8-methyl-5-[(2,3,4,5,6-pentafluorophenyl)methyl]-4b,5a,9a,9b,10,10a-hexahydro-4aH-indeno[1,2-b]indol-10-yl]-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane has a molecular weight of 856.19 g/mol, XLogP of 13.93, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for [2-(cyclopentylmethyl)-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl]-methyl-[8-methyl-5-[(2,3,4,5,6-pentafluorophenyl)methyl]-4b,5a,9a,9b,10,10a-hexahydro-4aH-indeno[1,2-b]indol-10-yl]-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane is sourced from PubChem (CID 140876096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).