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

C50H50F5NOSi — CID 140785983

IUPACmethyl-[8-methyl-5-[(2,3,4,5,6-pentafluorophenyl)methyl]-10H-indeno[1,2-b]indol-10-yl]-(2-methyl-4-phenyl-1H-inden-1-yl)-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane
SMILESCC1=Cc2c(-c3ccccc3)cccc2C1[Si](C)(CCCCCCOC(C)(C)C)C1c2ccccc2-c2c1c1cc(C)ccc1n2Cc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C50H50F5NOSi/c1-30-23-24-40-38(27-30)41-47(56(40)29-39-42(51)44(53)46(55)45(54)43(39)52)34-19-12-13-20-35(34)49(41)58(6,26-15-8-7-14-25-57-50(3,4)5)48-31(2)28-37-33(21-16-22-36(37)48)32-17-10-9-11-18-32/h9-13,16-24,27-28,48-49H,7-8,14-15,25-26,29H2,1-6H3
InChIKeyBWKPVWNIQZERPN-UHFFFAOYSA-N
MW804.03 g/mol
LogP14.21
Rot. Bonds12

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

methyl-[8-methyl-5-[(2,3,4,5,6-pentafluorophenyl)methyl]-10H-indeno[1,2-b]indol-10-yl]-(2-methyl-4-phenyl-1H-inden-1-yl)-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane (PubChem CID 140785983) has the molecular formula C50H50F5NOSi and a molecular weight of 804.03 g/mol. Its IUPAC name is methyl-[8-methyl-5-[(2,3,4,5,6-pentafluorophenyl)methyl]-10H-indeno[1,2-b]indol-10-yl]-(2-methyl-4-phenyl-1H-inden-1-yl)-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane.

Molecular Properties

Compound Namemethyl-[8-methyl-5-[(2,3,4,5,6-pentafluorophenyl)methyl]-10H-indeno[1,2-b]indol-10-yl]-(2-methyl-4-phenyl-1H-inden-1-yl)-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane
PubChem CID140785983
Molecular FormulaC50H50F5NOSi
Molecular Weight804.03 g/mol
Exact Mass803.36
IUPAC Namemethyl-[8-methyl-5-[(2,3,4,5,6-pentafluorophenyl)methyl]-10H-indeno[1,2-b]indol-10-yl]-(2-methyl-4-phenyl-1H-inden-1-yl)-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane
SMILESCC1=Cc2c(-c3ccccc3)cccc2C1[Si](C)(CCCCCCOC(C)(C)C)C1c2ccccc2-c2c1c1cc(C)ccc1n2Cc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C50H50F5NOSi/c1-30-23-24-40-38(27-30)41-47(56(40)29-39-42(51)44(53)46(55)45(54)43(39)52)34-19-12-13-20-35(34)49(41)58(6,26-15-8-7-14-25-57-50(3,4)5)48-31(2)28-37-33(21-16-22-36(37)48)32-17-10-9-11-18-32/h9-13,16-24,27-28,48-49H,7-8,14-15,25-26,29H2,1-6H3
InChIKeyBWKPVWNIQZERPN-UHFFFAOYSA-N
XLogP14.21
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500804.03
LogP ≤ 514.21
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 methyl-[8-methyl-5-[(2,3,4,5,6-pentafluorophenyl)methyl]-10H-indeno[1,2-b]indol-10-yl]-(2-methyl-4-phenyl-1H-inden-1-yl)-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane?
The IUPAC name of methyl-[8-methyl-5-[(2,3,4,5,6-pentafluorophenyl)methyl]-10H-indeno[1,2-b]indol-10-yl]-(2-methyl-4-phenyl-1H-inden-1-yl)-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane (CID 140785983) is methyl-[8-methyl-5-[(2,3,4,5,6-pentafluorophenyl)methyl]-10H-indeno[1,2-b]indol-10-yl]-(2-methyl-4-phenyl-1H-inden-1-yl)-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane.
What is the SMILES notation for methyl-[8-methyl-5-[(2,3,4,5,6-pentafluorophenyl)methyl]-10H-indeno[1,2-b]indol-10-yl]-(2-methyl-4-phenyl-1H-inden-1-yl)-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane?
The canonical SMILES for methyl-[8-methyl-5-[(2,3,4,5,6-pentafluorophenyl)methyl]-10H-indeno[1,2-b]indol-10-yl]-(2-methyl-4-phenyl-1H-inden-1-yl)-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane is CC1=Cc2c(-c3ccccc3)cccc2C1[Si](C)(CCCCCCOC(C)(C)C)C1c2ccccc2-c2c1c1cc(C)ccc1n2Cc1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of methyl-[8-methyl-5-[(2,3,4,5,6-pentafluorophenyl)methyl]-10H-indeno[1,2-b]indol-10-yl]-(2-methyl-4-phenyl-1H-inden-1-yl)-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane?
The InChIKey is BWKPVWNIQZERPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H50F5NOSi/c1-30-23-24-40-38(27-30)41-47(56(40)29-39-42(51)44(53)46(55)45(54)43(39)52)34-19-12-13-20-35(34)49(41)58(6,26-15-8-7-14-25-57-50(3,4)5)48-31(2)28-37-33(21-16-22-36(37)48)32-17-10-9-11-18-32/h9-13,16-24,27-28,48-49H,7-8,14-15,25-26,29H2,1-6H3.
What are the key properties of methyl-[8-methyl-5-[(2,3,4,5,6-pentafluorophenyl)methyl]-10H-indeno[1,2-b]indol-10-yl]-(2-methyl-4-phenyl-1H-inden-1-yl)-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane?
methyl-[8-methyl-5-[(2,3,4,5,6-pentafluorophenyl)methyl]-10H-indeno[1,2-b]indol-10-yl]-(2-methyl-4-phenyl-1H-inden-1-yl)-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane has a molecular weight of 804.03 g/mol, XLogP of 14.21, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[8-methyl-5-[(2,3,4,5,6-pentafluorophenyl)methyl]-10H-indeno[1,2-b]indol-10-yl]-(2-methyl-4-phenyl-1H-inden-1-yl)-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane is sourced from PubChem (CID 140785983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).