[2-(cyclohexylmethyl)-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

C54H68F5NOSi — CID 140876107

IUPAC[2-(cyclohexylmethyl)-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
SMILESCC1=CC2C3C(C4C=CC=CC4C3[Si](C)(CCCCCCOC(C)(C)C)C3C4C=CC=CC4C4C=CC(CC5CCCCC5)=CC43)N(Cc3c(F)c(F)c(F)c(F)c3F)C2C=C1
InChIInChI=1S/C54H68F5NOSi/c1-33-23-26-44-42(29-33)45-51(60(44)32-43-46(55)48(57)50(59)49(58)47(43)56)38-20-12-14-22-40(38)53(45)62(5,28-16-7-6-15-27-61-54(2,3)4)52-39-21-13-11-19-36(39)37-25-24-35(31-41(37)52)30-34-17-9-8-10-18-34/h11-14,19-26,29,31,34,36-42,44-45,51-53H,6-10,15-18,27-28,30,32H2,1-5H3
InChIKeyZZSCWGNKSGRRPP-UHFFFAOYSA-N
MW870.22 g/mol
LogP14.32
Rot. Bonds13

About [2-(cyclohexylmethyl)-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-(cyclohexylmethyl)-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 140876107) has the molecular formula C54H68F5NOSi and a molecular weight of 870.22 g/mol. Its IUPAC name is [2-(cyclohexylmethyl)-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-(cyclohexylmethyl)-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 CID140876107
Molecular FormulaC54H68F5NOSi
Molecular Weight870.22 g/mol
Exact Mass869.50
IUPAC Name[2-(cyclohexylmethyl)-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
SMILESCC1=CC2C3C(C4C=CC=CC4C3[Si](C)(CCCCCCOC(C)(C)C)C3C4C=CC=CC4C4C=CC(CC5CCCCC5)=CC43)N(Cc3c(F)c(F)c(F)c(F)c3F)C2C=C1
InChIInChI=1S/C54H68F5NOSi/c1-33-23-26-44-42(29-33)45-51(60(44)32-43-46(55)48(57)50(59)49(58)47(43)56)38-20-12-14-22-40(38)53(45)62(5,28-16-7-6-15-27-61-54(2,3)4)52-39-21-13-11-19-36(39)37-25-24-35(31-41(37)52)30-34-17-9-8-10-18-34/h11-14,19-26,29,31,34,36-42,44-45,51-53H,6-10,15-18,27-28,30,32H2,1-5H3
InChIKeyZZSCWGNKSGRRPP-UHFFFAOYSA-N
XLogP14.32
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500870.22
LogP ≤ 514.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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'}

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Frequently Asked Questions

What is the IUPAC name of [2-(cyclohexylmethyl)-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-(cyclohexylmethyl)-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 140876107) is [2-(cyclohexylmethyl)-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-(cyclohexylmethyl)-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-(cyclohexylmethyl)-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(CC5CCCCC5)=CC43)N(Cc3c(F)c(F)c(F)c(F)c3F)C2C=C1.
What is the InChIKey of [2-(cyclohexylmethyl)-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 ZZSCWGNKSGRRPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H68F5NOSi/c1-33-23-26-44-42(29-33)45-51(60(44)32-43-46(55)48(57)50(59)49(58)47(43)56)38-20-12-14-22-40(38)53(45)62(5,28-16-7-6-15-27-61-54(2,3)4)52-39-21-13-11-19-36(39)37-25-24-35(31-41(37)52)30-34-17-9-8-10-18-34/h11-14,19-26,29,31,34,36-42,44-45,51-53H,6-10,15-18,27-28,30,32H2,1-5H3.
What are the key properties of [2-(cyclohexylmethyl)-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-(cyclohexylmethyl)-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 870.22 g/mol, XLogP of 14.32, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclohexylmethyl)-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 140876107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).