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]-(4-phenyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silane

C49H58F5NOSi — CID 140876094

About 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]-(4-phenyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silane

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]-(4-phenyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silane (PubChem CID 140876094) has the molecular formula C49H58F5NOSi and a molecular weight of 800.08 g/mol. Its IUPAC name is 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]-(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,5a,9a,9b,10,10a-hexahydro-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: 140876094
• Molecular Formula: C49H58F5NOSi
• Molecular Weight: 800.08 g/mol
• Exact Mass: 799.42
• IUPAC Name: 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]-(4-phenyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silane
• SMILES: CC1=CC2C3C(C4C=CC=CC4C3[Si](C)(CCCCCCOC(C)(C)C)C3CCC4C(c5ccccc5)=CC=CC43)N(Cc3c(F)c(F)c(F)c(F)c3F)C2C=C1
• InChI: InChI=1S/C49H58F5NOSi/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/h8-12,15-22,24,28,33-37,39-41,47-48H,6-7,13-14,23,25-27,29H2,1-5H3
• InChIKey: KQJXNSPNFVOKTO-UHFFFAOYSA-N
• XLogP: 12.93
• 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	800.08
LogP ≤ 5	12.93
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 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]-(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,5a,9a,9b,10,10a-hexahydro-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 140876094) is 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]-(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,5a,9a,9b,10,10a-hexahydro-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,5a,9a,9b,10,10a-hexahydro-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 CC1=CC2C3C(C4C=CC=CC4C3[Si](C)(CCCCCCOC(C)(C)C)C3CCC4C(c5ccccc5)=CC=CC43)N(Cc3c(F)c(F)c(F)c(F)c3F)C2C=C1.

What is the InChIKey of 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]-(4-phenyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silane?

The InChIKey is KQJXNSPNFVOKTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H58F5NOSi/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/h8-12,15-22,24,28,33-37,39-41,47-48H,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,5a,9a,9b,10,10a-hexahydro-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,5a,9a,9b,10,10a-hexahydro-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 800.08 g/mol, XLogP of 12.93, 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,5a,9a,9b,10,10a-hexahydro-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 140876094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).