[2-(cyclopentylmethyl)-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

C53H64F5NOSi — CID 162287614

IUPAC[2-(cyclopentylmethyl)-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(CC4CCCC4)=CC31)N2Cc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C53H64F5NOSi/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/h10-13,18-25,28,30,33,35-40,44,50-52H,6-9,14-17,26-27,29,31H2,1-5H3
InChIKeyFVNSCPZVEZYLMZ-UHFFFAOYSA-N
MW854.18 g/mol
LogP14.41
Rot. Bonds13

About [2-(cyclopentylmethyl)-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-(cyclopentylmethyl)-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 162287614) has the molecular formula C53H64F5NOSi and a molecular weight of 854.18 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,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-(cyclopentylmethyl)-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 CID162287614
Molecular FormulaC53H64F5NOSi
Molecular Weight854.18 g/mol
Exact Mass853.47
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,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(CC4CCCC4)=CC31)N2Cc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C53H64F5NOSi/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/h10-13,18-25,28,30,33,35-40,44,50-52H,6-9,14-17,26-27,29,31H2,1-5H3
InChIKeyFVNSCPZVEZYLMZ-UHFFFAOYSA-N
XLogP14.41
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500854.18
LogP ≤ 514.41
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-(cyclopentylmethyl)-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-(cyclopentylmethyl)-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 162287614) is [2-(cyclopentylmethyl)-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-(cyclopentylmethyl)-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-(cyclopentylmethyl)-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(CC4CCCC4)=CC31)N2Cc1c(F)c(F)c(F)c(F)c1F.
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,9b,10,10a-tetrahydro-4aH-indeno[1,2-b]indol-10-yl]-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane?
The InChIKey is FVNSCPZVEZYLMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H64F5NOSi/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/h10-13,18-25,28,30,33,35-40,44,50-52H,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,9b,10,10a-tetrahydro-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,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 854.18 g/mol, XLogP of 14.41, 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,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 162287614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).