methyl-bis[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

C57H50F10N2OSi — CID 140785987

IUPACmethyl-bis[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-c2c1c1cc(C)ccc1n2Cc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C57H50F10N2OSi/c1-29-19-21-39-35(25-29)41-53(68(39)27-37-43(58)47(62)51(66)48(63)44(37)59)31-15-9-11-17-33(31)55(41)71(6,24-14-8-7-13-23-70-57(3,4)5)56-34-18-12-10-16-32(34)54-42(56)36-26-30(2)20-22-40(36)69(54)28-38-45(60)49(64)52(67)50(65)46(38)61/h9-12,15-22,25-26,55-56H,7-8,13-14,23-24,27-28H2,1-6H3
InChIKeyMYPAOFMLLASJFB-UHFFFAOYSA-N
MW997.11 g/mol
LogP16.16
Rot. Bonds13

About methyl-bis[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-bis[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 140785987) has the molecular formula C57H50F10N2OSi and a molecular weight of 997.11 g/mol. Its IUPAC name is methyl-bis[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-bis[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 CID140785987
Molecular FormulaC57H50F10N2OSi
Molecular Weight997.11 g/mol
Exact Mass996.35
IUPAC Namemethyl-bis[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-c2c1c1cc(C)ccc1n2Cc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C57H50F10N2OSi/c1-29-19-21-39-35(25-29)41-53(68(39)27-37-43(58)47(62)51(66)48(63)44(37)59)31-15-9-11-17-33(31)55(41)71(6,24-14-8-7-13-23-70-57(3,4)5)56-34-18-12-10-16-32(34)54-42(56)36-26-30(2)20-22-40(36)69(54)28-38-45(60)49(64)52(67)50(65)46(38)61/h9-12,15-22,25-26,55-56H,7-8,13-14,23-24,27-28H2,1-6H3
InChIKeyMYPAOFMLLASJFB-UHFFFAOYSA-N
XLogP16.16
TPSA19.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500997.11
LogP ≤ 516.16
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-bis[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-bis[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 140785987) is methyl-bis[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-bis[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-bis[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-c2c1c1cc(C)ccc1n2Cc1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of methyl-bis[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 MYPAOFMLLASJFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H50F10N2OSi/c1-29-19-21-39-35(25-29)41-53(68(39)27-37-43(58)47(62)51(66)48(63)44(37)59)31-15-9-11-17-33(31)55(41)71(6,24-14-8-7-13-23-70-57(3,4)5)56-34-18-12-10-16-32(34)54-42(56)36-26-30(2)20-22-40(36)69(54)28-38-45(60)49(64)52(67)50(65)46(38)61/h9-12,15-22,25-26,55-56H,7-8,13-14,23-24,27-28H2,1-6H3.
What are the key properties of methyl-bis[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-bis[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 997.11 g/mol, XLogP of 16.16, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-bis[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 140785987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).