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

C46H54F5NOSi — CID 140876091

IUPAC4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]-[5-[(2,3,4,5,6-pentafluorophenyl)methyl]-4b,5a,9a,9b,10,10a-hexahydro-4aH-indeno[1,2-b]indol-10-yl]silane
SMILESCC(C)(C)OCCCCCC[Si](C)(C1C2C=CC=CC2C2C=CC=CC21)C1C2C=CC=CC2C2C1C1C=CC=CC1N2Cc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C46H54F5NOSi/c1-46(2,3)53-25-15-5-6-16-26-54(4,44-31-20-10-7-17-28(31)29-18-8-11-21-32(29)44)45-33-22-12-9-19-30(33)43-37(45)34-23-13-14-24-36(34)52(43)27-35-38(47)40(49)42(51)41(50)39(35)48/h7-14,17-24,28-34,36-37,43-45H,5-6,15-16,25-27H2,1-4H3
InChIKeyDFAOIXBASIELNT-UHFFFAOYSA-N
MW760.02 g/mol
LogP11.59
Rot. Bonds11

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

4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]-[5-[(2,3,4,5,6-pentafluorophenyl)methyl]-4b,5a,9a,9b,10,10a-hexahydro-4aH-indeno[1,2-b]indol-10-yl]silane (PubChem CID 140876091) has the molecular formula C46H54F5NOSi and a molecular weight of 760.02 g/mol. Its IUPAC name is 4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]-[5-[(2,3,4,5,6-pentafluorophenyl)methyl]-4b,5a,9a,9b,10,10a-hexahydro-4aH-indeno[1,2-b]indol-10-yl]silane.

Molecular Properties

Compound Name4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]-[5-[(2,3,4,5,6-pentafluorophenyl)methyl]-4b,5a,9a,9b,10,10a-hexahydro-4aH-indeno[1,2-b]indol-10-yl]silane
PubChem CID140876091
Molecular FormulaC46H54F5NOSi
Molecular Weight760.02 g/mol
Exact Mass759.39
IUPAC Name4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]-[5-[(2,3,4,5,6-pentafluorophenyl)methyl]-4b,5a,9a,9b,10,10a-hexahydro-4aH-indeno[1,2-b]indol-10-yl]silane
SMILESCC(C)(C)OCCCCCC[Si](C)(C1C2C=CC=CC2C2C=CC=CC21)C1C2C=CC=CC2C2C1C1C=CC=CC1N2Cc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C46H54F5NOSi/c1-46(2,3)53-25-15-5-6-16-26-54(4,44-31-20-10-7-17-28(31)29-18-8-11-21-32(29)44)45-33-22-12-9-19-30(33)43-37(45)34-23-13-14-24-36(34)52(43)27-35-38(47)40(49)42(51)41(50)39(35)48/h7-14,17-24,28-34,36-37,43-45H,5-6,15-16,25-27H2,1-4H3
InChIKeyDFAOIXBASIELNT-UHFFFAOYSA-N
XLogP11.59
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500760.02
LogP ≤ 511.59
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'}

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

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Frequently Asked Questions

What is the IUPAC name of 4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]-[5-[(2,3,4,5,6-pentafluorophenyl)methyl]-4b,5a,9a,9b,10,10a-hexahydro-4aH-indeno[1,2-b]indol-10-yl]silane?
The IUPAC name of 4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]-[5-[(2,3,4,5,6-pentafluorophenyl)methyl]-4b,5a,9a,9b,10,10a-hexahydro-4aH-indeno[1,2-b]indol-10-yl]silane (CID 140876091) is 4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]-[5-[(2,3,4,5,6-pentafluorophenyl)methyl]-4b,5a,9a,9b,10,10a-hexahydro-4aH-indeno[1,2-b]indol-10-yl]silane.
What is the SMILES notation for 4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]-[5-[(2,3,4,5,6-pentafluorophenyl)methyl]-4b,5a,9a,9b,10,10a-hexahydro-4aH-indeno[1,2-b]indol-10-yl]silane?
The canonical SMILES for 4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]-[5-[(2,3,4,5,6-pentafluorophenyl)methyl]-4b,5a,9a,9b,10,10a-hexahydro-4aH-indeno[1,2-b]indol-10-yl]silane is CC(C)(C)OCCCCCC[Si](C)(C1C2C=CC=CC2C2C=CC=CC21)C1C2C=CC=CC2C2C1C1C=CC=CC1N2Cc1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of 4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]-[5-[(2,3,4,5,6-pentafluorophenyl)methyl]-4b,5a,9a,9b,10,10a-hexahydro-4aH-indeno[1,2-b]indol-10-yl]silane?
The InChIKey is DFAOIXBASIELNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H54F5NOSi/c1-46(2,3)53-25-15-5-6-16-26-54(4,44-31-20-10-7-17-28(31)29-18-8-11-21-32(29)44)45-33-22-12-9-19-30(33)43-37(45)34-23-13-14-24-36(34)52(43)27-35-38(47)40(49)42(51)41(50)39(35)48/h7-14,17-24,28-34,36-37,43-45H,5-6,15-16,25-27H2,1-4H3.
What are the key properties of 4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]-[5-[(2,3,4,5,6-pentafluorophenyl)methyl]-4b,5a,9a,9b,10,10a-hexahydro-4aH-indeno[1,2-b]indol-10-yl]silane?
4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]-[5-[(2,3,4,5,6-pentafluorophenyl)methyl]-4b,5a,9a,9b,10,10a-hexahydro-4aH-indeno[1,2-b]indol-10-yl]silane has a molecular weight of 760.02 g/mol, XLogP of 11.59, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]-[5-[(2,3,4,5,6-pentafluorophenyl)methyl]-4b,5a,9a,9b,10,10a-hexahydro-4aH-indeno[1,2-b]indol-10-yl]silane is sourced from PubChem (CID 140876091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).