bis[5-[(2-fluorophenyl)methyl]-8-methyl-4b,9b,10,10a-tetrahydro-4aH-indeno[1,2-b]indol-10-yl]-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane

C57H66F2N2OSi — CID 162287623

IUPACbis[5-[(2-fluorophenyl)methyl]-8-methyl-4b,9b,10,10a-tetrahydro-4aH-indeno[1,2-b]indol-10-yl]-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane
SMILESCc1ccc2c(c1)C1C(C3C=CC=CC3C1[Si](C)(CCCCCCOC(C)(C)C)C1C3C=CC=CC3C3C1c1cc(C)ccc1N3Cc1ccccc1F)N2Cc1ccccc1F
InChIInChI=1S/C57H66F2N2OSi/c1-37-27-29-49-45(33-37)51-53(60(49)35-39-19-9-15-25-47(39)58)41-21-11-13-23-43(41)55(51)63(6,32-18-8-7-17-31-62-57(3,4)5)56-44-24-14-12-22-42(44)54-52(56)46-34-38(2)28-30-50(46)61(54)36-40-20-10-16-26-48(40)59/h9-16,19-30,33-34,41-44,51-56H,7-8,17-18,31-32,35-36H2,1-6H3
InChIKeyNVNQJAYNDKOQCJ-UHFFFAOYSA-N
MW861.25 g/mol
LogP14.17
Rot. Bonds13

About bis[5-[(2-fluorophenyl)methyl]-8-methyl-4b,9b,10,10a-tetrahydro-4aH-indeno[1,2-b]indol-10-yl]-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane

bis[5-[(2-fluorophenyl)methyl]-8-methyl-4b,9b,10,10a-tetrahydro-4aH-indeno[1,2-b]indol-10-yl]-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane (PubChem CID 162287623) has the molecular formula C57H66F2N2OSi and a molecular weight of 861.25 g/mol. Its IUPAC name is bis[5-[(2-fluorophenyl)methyl]-8-methyl-4b,9b,10,10a-tetrahydro-4aH-indeno[1,2-b]indol-10-yl]-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane.

Molecular Properties

Compound Namebis[5-[(2-fluorophenyl)methyl]-8-methyl-4b,9b,10,10a-tetrahydro-4aH-indeno[1,2-b]indol-10-yl]-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane
PubChem CID162287623
Molecular FormulaC57H66F2N2OSi
Molecular Weight861.25 g/mol
Exact Mass860.49
IUPAC Namebis[5-[(2-fluorophenyl)methyl]-8-methyl-4b,9b,10,10a-tetrahydro-4aH-indeno[1,2-b]indol-10-yl]-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane
SMILESCc1ccc2c(c1)C1C(C3C=CC=CC3C1[Si](C)(CCCCCCOC(C)(C)C)C1C3C=CC=CC3C3C1c1cc(C)ccc1N3Cc1ccccc1F)N2Cc1ccccc1F
InChIInChI=1S/C57H66F2N2OSi/c1-37-27-29-49-45(33-37)51-53(60(49)35-39-19-9-15-25-47(39)58)41-21-11-13-23-43(41)55(51)63(6,32-18-8-7-17-31-62-57(3,4)5)56-44-24-14-12-22-42(44)54-52(56)46-34-38(2)28-30-50(46)61(54)36-40-20-10-16-26-48(40)59/h9-16,19-30,33-34,41-44,51-56H,7-8,17-18,31-32,35-36H2,1-6H3
InChIKeyNVNQJAYNDKOQCJ-UHFFFAOYSA-N
XLogP14.17
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500861.25
LogP ≤ 514.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis[5-[(2-fluorophenyl)methyl]-8-methyl-4b,9b,10,10a-tetrahydro-4aH-indeno[1,2-b]indol-10-yl]-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane?
The IUPAC name of bis[5-[(2-fluorophenyl)methyl]-8-methyl-4b,9b,10,10a-tetrahydro-4aH-indeno[1,2-b]indol-10-yl]-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane (CID 162287623) is bis[5-[(2-fluorophenyl)methyl]-8-methyl-4b,9b,10,10a-tetrahydro-4aH-indeno[1,2-b]indol-10-yl]-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane.
What is the SMILES notation for bis[5-[(2-fluorophenyl)methyl]-8-methyl-4b,9b,10,10a-tetrahydro-4aH-indeno[1,2-b]indol-10-yl]-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane?
The canonical SMILES for bis[5-[(2-fluorophenyl)methyl]-8-methyl-4b,9b,10,10a-tetrahydro-4aH-indeno[1,2-b]indol-10-yl]-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane is Cc1ccc2c(c1)C1C(C3C=CC=CC3C1[Si](C)(CCCCCCOC(C)(C)C)C1C3C=CC=CC3C3C1c1cc(C)ccc1N3Cc1ccccc1F)N2Cc1ccccc1F.
What is the InChIKey of bis[5-[(2-fluorophenyl)methyl]-8-methyl-4b,9b,10,10a-tetrahydro-4aH-indeno[1,2-b]indol-10-yl]-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane?
The InChIKey is NVNQJAYNDKOQCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H66F2N2OSi/c1-37-27-29-49-45(33-37)51-53(60(49)35-39-19-9-15-25-47(39)58)41-21-11-13-23-43(41)55(51)63(6,32-18-8-7-17-31-62-57(3,4)5)56-44-24-14-12-22-42(44)54-52(56)46-34-38(2)28-30-50(46)61(54)36-40-20-10-16-26-48(40)59/h9-16,19-30,33-34,41-44,51-56H,7-8,17-18,31-32,35-36H2,1-6H3.
What are the key properties of bis[5-[(2-fluorophenyl)methyl]-8-methyl-4b,9b,10,10a-tetrahydro-4aH-indeno[1,2-b]indol-10-yl]-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane?
bis[5-[(2-fluorophenyl)methyl]-8-methyl-4b,9b,10,10a-tetrahydro-4aH-indeno[1,2-b]indol-10-yl]-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane has a molecular weight of 861.25 g/mol, XLogP of 14.17, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis[5-[(2-fluorophenyl)methyl]-8-methyl-4b,9b,10,10a-tetrahydro-4aH-indeno[1,2-b]indol-10-yl]-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane is sourced from PubChem (CID 162287623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).