methyl-(5-methyl-10H-indeno[1,2-b]indol-10-yl)-[8-methyl-5-[(2,3,4,5,6-pentafluorophenyl)methyl]-10H-indeno[1,2-b]indol-10-yl]-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane

C50H49F5N2OSi — CID 140786008

IUPACmethyl-(5-methyl-10H-indeno[1,2-b]indol-10-yl)-[8-methyl-5-[(2,3,4,5,6-pentafluorophenyl)methyl]-10H-indeno[1,2-b]indol-10-yl]-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane
SMILESCc1ccc2c(c1)c1c(n2Cc2c(F)c(F)c(F)c(F)c2F)-c2ccccc2C1[Si](C)(CCCCCCOC(C)(C)C)C1c2ccccc2-c2c1c1ccccc1n2C
InChIInChI=1S/C50H49F5N2OSi/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/h9-14,17-24,27,48-49H,7-8,15-16,25-26,28H2,1-6H3
InChIKeyLAEVHLWXEUDHKJ-UHFFFAOYSA-N
MW817.03 g/mol
LogP13.64
Rot. Bonds11

About methyl-(5-methyl-10H-indeno[1,2-b]indol-10-yl)-[8-methyl-5-[(2,3,4,5,6-pentafluorophenyl)methyl]-10H-indeno[1,2-b]indol-10-yl]-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane

methyl-(5-methyl-10H-indeno[1,2-b]indol-10-yl)-[8-methyl-5-[(2,3,4,5,6-pentafluorophenyl)methyl]-10H-indeno[1,2-b]indol-10-yl]-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane (PubChem CID 140786008) has the molecular formula C50H49F5N2OSi and a molecular weight of 817.03 g/mol. Its IUPAC name is methyl-(5-methyl-10H-indeno[1,2-b]indol-10-yl)-[8-methyl-5-[(2,3,4,5,6-pentafluorophenyl)methyl]-10H-indeno[1,2-b]indol-10-yl]-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane.

Molecular Properties

Compound Namemethyl-(5-methyl-10H-indeno[1,2-b]indol-10-yl)-[8-methyl-5-[(2,3,4,5,6-pentafluorophenyl)methyl]-10H-indeno[1,2-b]indol-10-yl]-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane
PubChem CID140786008
Molecular FormulaC50H49F5N2OSi
Molecular Weight817.03 g/mol
Exact Mass816.35
IUPAC Namemethyl-(5-methyl-10H-indeno[1,2-b]indol-10-yl)-[8-methyl-5-[(2,3,4,5,6-pentafluorophenyl)methyl]-10H-indeno[1,2-b]indol-10-yl]-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane
SMILESCc1ccc2c(c1)c1c(n2Cc2c(F)c(F)c(F)c(F)c2F)-c2ccccc2C1[Si](C)(CCCCCCOC(C)(C)C)C1c2ccccc2-c2c1c1ccccc1n2C
InChIInChI=1S/C50H49F5N2OSi/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/h9-14,17-24,27,48-49H,7-8,15-16,25-26,28H2,1-6H3
InChIKeyLAEVHLWXEUDHKJ-UHFFFAOYSA-N
XLogP13.64
TPSA19.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500817.03
LogP ≤ 513.64
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-10H-indeno[1,2-b]indol-10-yl)-[8-methyl-5-[(2,3,4,5,6-pentafluorophenyl)methyl]-10H-indeno[1,2-b]indol-10-yl]-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane?
The IUPAC name of methyl-(5-methyl-10H-indeno[1,2-b]indol-10-yl)-[8-methyl-5-[(2,3,4,5,6-pentafluorophenyl)methyl]-10H-indeno[1,2-b]indol-10-yl]-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane (CID 140786008) is methyl-(5-methyl-10H-indeno[1,2-b]indol-10-yl)-[8-methyl-5-[(2,3,4,5,6-pentafluorophenyl)methyl]-10H-indeno[1,2-b]indol-10-yl]-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane.
What is the SMILES notation for methyl-(5-methyl-10H-indeno[1,2-b]indol-10-yl)-[8-methyl-5-[(2,3,4,5,6-pentafluorophenyl)methyl]-10H-indeno[1,2-b]indol-10-yl]-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane?
The canonical SMILES for methyl-(5-methyl-10H-indeno[1,2-b]indol-10-yl)-[8-methyl-5-[(2,3,4,5,6-pentafluorophenyl)methyl]-10H-indeno[1,2-b]indol-10-yl]-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane is Cc1ccc2c(c1)c1c(n2Cc2c(F)c(F)c(F)c(F)c2F)-c2ccccc2C1[Si](C)(CCCCCCOC(C)(C)C)C1c2ccccc2-c2c1c1ccccc1n2C.
What is the InChIKey of methyl-(5-methyl-10H-indeno[1,2-b]indol-10-yl)-[8-methyl-5-[(2,3,4,5,6-pentafluorophenyl)methyl]-10H-indeno[1,2-b]indol-10-yl]-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane?
The InChIKey is LAEVHLWXEUDHKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H49F5N2OSi/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/h9-14,17-24,27,48-49H,7-8,15-16,25-26,28H2,1-6H3.
What are the key properties of methyl-(5-methyl-10H-indeno[1,2-b]indol-10-yl)-[8-methyl-5-[(2,3,4,5,6-pentafluorophenyl)methyl]-10H-indeno[1,2-b]indol-10-yl]-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane?
methyl-(5-methyl-10H-indeno[1,2-b]indol-10-yl)-[8-methyl-5-[(2,3,4,5,6-pentafluorophenyl)methyl]-10H-indeno[1,2-b]indol-10-yl]-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane has a molecular weight of 817.03 g/mol, XLogP of 13.64, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-(5-methyl-10H-indeno[1,2-b]indol-10-yl)-[8-methyl-5-[(2,3,4,5,6-pentafluorophenyl)methyl]-10H-indeno[1,2-b]indol-10-yl]-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane is sourced from PubChem (CID 140786008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).