methyl-(5-methyl-4b,9b,10,10a-tetrahydro-4aH-indeno[1,2-b]indol-10-yl)-[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

C50H57F5N2OSi — CID 162279850

IUPACmethyl-(5-methyl-4b,9b,10,10a-tetrahydro-4aH-indeno[1,2-b]indol-10-yl)-[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=CC3C3C1c1ccccc1N3C)N2Cc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C50H57F5N2OSi/c1-29-23-24-38-35(27-29)40-47(57(38)28-36-41(51)43(53)45(55)44(54)42(36)52)31-18-10-12-20-33(31)49(40)59(6,26-16-8-7-15-25-58-50(2,3)4)48-32-19-11-9-17-30(32)46-39(48)34-21-13-14-22-37(34)56(46)5/h9-14,17-24,27,30-33,39-40,46-49H,7-8,15-16,25-26,28H2,1-6H3
InChIKeyLCLLWPDDEZGPQL-UHFFFAOYSA-N
MW825.09 g/mol
LogP12.70
Rot. Bonds11

About methyl-(5-methyl-4b,9b,10,10a-tetrahydro-4aH-indeno[1,2-b]indol-10-yl)-[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

methyl-(5-methyl-4b,9b,10,10a-tetrahydro-4aH-indeno[1,2-b]indol-10-yl)-[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 162279850) has the molecular formula C50H57F5N2OSi and a molecular weight of 825.09 g/mol. Its IUPAC name is methyl-(5-methyl-4b,9b,10,10a-tetrahydro-4aH-indeno[1,2-b]indol-10-yl)-[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 Namemethyl-(5-methyl-4b,9b,10,10a-tetrahydro-4aH-indeno[1,2-b]indol-10-yl)-[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 CID162279850
Molecular FormulaC50H57F5N2OSi
Molecular Weight825.09 g/mol
Exact Mass824.42
IUPAC Namemethyl-(5-methyl-4b,9b,10,10a-tetrahydro-4aH-indeno[1,2-b]indol-10-yl)-[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=CC3C3C1c1ccccc1N3C)N2Cc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C50H57F5N2OSi/c1-29-23-24-38-35(27-29)40-47(57(38)28-36-41(51)43(53)45(55)44(54)42(36)52)31-18-10-12-20-33(31)49(40)59(6,26-16-8-7-15-25-58-50(2,3)4)48-32-19-11-9-17-30(32)46-39(48)34-21-13-14-22-37(34)56(46)5/h9-14,17-24,27,30-33,39-40,46-49H,7-8,15-16,25-26,28H2,1-6H3
InChIKeyLCLLWPDDEZGPQL-UHFFFAOYSA-N
XLogP12.70
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500825.09
LogP ≤ 512.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 methyl-(5-methyl-4b,9b,10,10a-tetrahydro-4aH-indeno[1,2-b]indol-10-yl)-[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 methyl-(5-methyl-4b,9b,10,10a-tetrahydro-4aH-indeno[1,2-b]indol-10-yl)-[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 162279850) is methyl-(5-methyl-4b,9b,10,10a-tetrahydro-4aH-indeno[1,2-b]indol-10-yl)-[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 methyl-(5-methyl-4b,9b,10,10a-tetrahydro-4aH-indeno[1,2-b]indol-10-yl)-[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 methyl-(5-methyl-4b,9b,10,10a-tetrahydro-4aH-indeno[1,2-b]indol-10-yl)-[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=CC3C3C1c1ccccc1N3C)N2Cc1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of methyl-(5-methyl-4b,9b,10,10a-tetrahydro-4aH-indeno[1,2-b]indol-10-yl)-[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 LCLLWPDDEZGPQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H57F5N2OSi/c1-29-23-24-38-35(27-29)40-47(57(38)28-36-41(51)43(53)45(55)44(54)42(36)52)31-18-10-12-20-33(31)49(40)59(6,26-16-8-7-15-25-58-50(2,3)4)48-32-19-11-9-17-30(32)46-39(48)34-21-13-14-22-37(34)56(46)5/h9-14,17-24,27,30-33,39-40,46-49H,7-8,15-16,25-26,28H2,1-6H3.
What are the key properties of methyl-(5-methyl-4b,9b,10,10a-tetrahydro-4aH-indeno[1,2-b]indol-10-yl)-[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?
methyl-(5-methyl-4b,9b,10,10a-tetrahydro-4aH-indeno[1,2-b]indol-10-yl)-[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 825.09 g/mol, XLogP of 12.70, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-(5-methyl-4b,9b,10,10a-tetrahydro-4aH-indeno[1,2-b]indol-10-yl)-[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 162279850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).