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

C42H42F5NOSi — CID 140785988

IUPAC1H-inden-1-yl-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]-[5-[(2,3,4,5,6-pentafluorophenyl)methyl]-10H-indeno[1,2-b]indol-10-yl]silane
SMILESCC(C)(C)OCCCCCC[Si](C)(C1C=Cc2ccccc21)C1c2ccccc2-c2c1c1ccccc1n2Cc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C42H42F5NOSi/c1-42(2,3)49-23-13-5-6-14-24-50(4,33-22-21-26-15-7-8-16-27(26)33)41-29-18-10-9-17-28(29)40-34(41)30-19-11-12-20-32(30)48(40)25-31-35(43)37(45)39(47)38(46)36(31)44/h7-12,15-22,33,41H,5-6,13-14,23-25H2,1-4H3
InChIKeyWYXYENGVOPTOEL-UHFFFAOYSA-N
MW699.88 g/mol
LogP11.84
Rot. Bonds11

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

1H-inden-1-yl-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]-[5-[(2,3,4,5,6-pentafluorophenyl)methyl]-10H-indeno[1,2-b]indol-10-yl]silane (PubChem CID 140785988) has the molecular formula C42H42F5NOSi and a molecular weight of 699.88 g/mol. Its IUPAC name is 1H-inden-1-yl-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]-[5-[(2,3,4,5,6-pentafluorophenyl)methyl]-10H-indeno[1,2-b]indol-10-yl]silane.

Molecular Properties

Compound Name1H-inden-1-yl-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]-[5-[(2,3,4,5,6-pentafluorophenyl)methyl]-10H-indeno[1,2-b]indol-10-yl]silane
PubChem CID140785988
Molecular FormulaC42H42F5NOSi
Molecular Weight699.88 g/mol
Exact Mass699.30
IUPAC Name1H-inden-1-yl-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]-[5-[(2,3,4,5,6-pentafluorophenyl)methyl]-10H-indeno[1,2-b]indol-10-yl]silane
SMILESCC(C)(C)OCCCCCC[Si](C)(C1C=Cc2ccccc21)C1c2ccccc2-c2c1c1ccccc1n2Cc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C42H42F5NOSi/c1-42(2,3)49-23-13-5-6-14-24-50(4,33-22-21-26-15-7-8-16-27(26)33)41-29-18-10-9-17-28(29)40-34(41)30-19-11-12-20-32(30)48(40)25-31-35(43)37(45)39(47)38(46)36(31)44/h7-12,15-22,33,41H,5-6,13-14,23-25H2,1-4H3
InChIKeyWYXYENGVOPTOEL-UHFFFAOYSA-N
XLogP11.84
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500699.88
LogP ≤ 511.84
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 1H-inden-1-yl-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]-[5-[(2,3,4,5,6-pentafluorophenyl)methyl]-10H-indeno[1,2-b]indol-10-yl]silane?
The IUPAC name of 1H-inden-1-yl-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]-[5-[(2,3,4,5,6-pentafluorophenyl)methyl]-10H-indeno[1,2-b]indol-10-yl]silane (CID 140785988) is 1H-inden-1-yl-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]-[5-[(2,3,4,5,6-pentafluorophenyl)methyl]-10H-indeno[1,2-b]indol-10-yl]silane.
What is the SMILES notation for 1H-inden-1-yl-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]-[5-[(2,3,4,5,6-pentafluorophenyl)methyl]-10H-indeno[1,2-b]indol-10-yl]silane?
The canonical SMILES for 1H-inden-1-yl-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]-[5-[(2,3,4,5,6-pentafluorophenyl)methyl]-10H-indeno[1,2-b]indol-10-yl]silane is CC(C)(C)OCCCCCC[Si](C)(C1C=Cc2ccccc21)C1c2ccccc2-c2c1c1ccccc1n2Cc1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of 1H-inden-1-yl-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]-[5-[(2,3,4,5,6-pentafluorophenyl)methyl]-10H-indeno[1,2-b]indol-10-yl]silane?
The InChIKey is WYXYENGVOPTOEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H42F5NOSi/c1-42(2,3)49-23-13-5-6-14-24-50(4,33-22-21-26-15-7-8-16-27(26)33)41-29-18-10-9-17-28(29)40-34(41)30-19-11-12-20-32(30)48(40)25-31-35(43)37(45)39(47)38(46)36(31)44/h7-12,15-22,33,41H,5-6,13-14,23-25H2,1-4H3.
What are the key properties of 1H-inden-1-yl-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]-[5-[(2,3,4,5,6-pentafluorophenyl)methyl]-10H-indeno[1,2-b]indol-10-yl]silane?
1H-inden-1-yl-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]-[5-[(2,3,4,5,6-pentafluorophenyl)methyl]-10H-indeno[1,2-b]indol-10-yl]silane has a molecular weight of 699.88 g/mol, XLogP of 11.84, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-inden-1-yl-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]-[5-[(2,3,4,5,6-pentafluorophenyl)methyl]-10H-indeno[1,2-b]indol-10-yl]silane is sourced from PubChem (CID 140785988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).