[2-(cyclohexylmethyl)-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl]-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]silane

C54H66F5NOSi — CID 162287616

IUPAC[2-(cyclohexylmethyl)-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl]-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]silane
SMILESCc1ccc2c(c1)C1C(C3C=CC=CC3C1[Si](C)(CCCCCCOC(C)(C)C)C1C3C=CC=CC3C3C=CC(CC4CCCCC4)=CC31)N2Cc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C54H66F5NOSi/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/h11-14,19-26,29,31,34,36-41,45,51-53H,6-10,15-18,27-28,30,32H2,1-5H3
InChIKeyOXMPQGVSSZVZEO-UHFFFAOYSA-N
MW868.20 g/mol
LogP14.80
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,9b,10,10a-tetrahydro-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,9b,10,10a-tetrahydro-4aH-indeno[1,2-b]indol-10-yl]-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane (PubChem CID 162287616) has the molecular formula C54H66F5NOSi and a molecular weight of 868.20 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,9b,10,10a-tetrahydro-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,9b,10,10a-tetrahydro-4aH-indeno[1,2-b]indol-10-yl]-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane
PubChem CID162287616
Molecular FormulaC54H66F5NOSi
Molecular Weight868.20 g/mol
Exact Mass867.48
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,9b,10,10a-tetrahydro-4aH-indeno[1,2-b]indol-10-yl]-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane
SMILESCc1ccc2c(c1)C1C(C3C=CC=CC3C1[Si](C)(CCCCCCOC(C)(C)C)C1C3C=CC=CC3C3C=CC(CC4CCCCC4)=CC31)N2Cc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C54H66F5NOSi/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/h11-14,19-26,29,31,34,36-41,45,51-53H,6-10,15-18,27-28,30,32H2,1-5H3
InChIKeyOXMPQGVSSZVZEO-UHFFFAOYSA-N
XLogP14.80
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500868.20
LogP ≤ 514.80
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,9b,10,10a-tetrahydro-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,9b,10,10a-tetrahydro-4aH-indeno[1,2-b]indol-10-yl]-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane (CID 162287616) is [2-(cyclohexylmethyl)-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl]-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]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,9b,10,10a-tetrahydro-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,9b,10,10a-tetrahydro-4aH-indeno[1,2-b]indol-10-yl]-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane is Cc1ccc2c(c1)C1C(C3C=CC=CC3C1[Si](C)(CCCCCCOC(C)(C)C)C1C3C=CC=CC3C3C=CC(CC4CCCCC4)=CC31)N2Cc1c(F)c(F)c(F)c(F)c1F.
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,9b,10,10a-tetrahydro-4aH-indeno[1,2-b]indol-10-yl]-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane?
The InChIKey is OXMPQGVSSZVZEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H66F5NOSi/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/h11-14,19-26,29,31,34,36-41,45,51-53H,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,9b,10,10a-tetrahydro-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,9b,10,10a-tetrahydro-4aH-indeno[1,2-b]indol-10-yl]-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane has a molecular weight of 868.20 g/mol, XLogP of 14.80, 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,9b,10,10a-tetrahydro-4aH-indeno[1,2-b]indol-10-yl]-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane is sourced from PubChem (CID 162287616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).