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

C49H72N2OSi3 — CID 162286493

IUPACbis[5-(dimethylsilylmethyl)-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)ccc1N3C[SiH](C)C)N2C[SiH](C)C
InChIInChI=1S/C49H72N2OSi3/c1-33-23-25-41-39(29-33)43-45(50(41)31-53(6)7)35-19-13-15-21-37(35)47(43)55(10,28-18-12-11-17-27-52-49(3,4)5)48-38-22-16-14-20-36(38)46-44(48)40-30-34(2)24-26-42(40)51(46)32-54(8)9/h13-16,19-26,29-30,35-38,43-48,53-54H,11-12,17-18,27-28,31-32H2,1-10H3
InChIKeyTVHTZHVESVVKLY-UHFFFAOYSA-N
MW789.39 g/mol
LogP11.54
Rot. Bonds13

About bis[5-(dimethylsilylmethyl)-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-(dimethylsilylmethyl)-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 162286493) has the molecular formula C49H72N2OSi3 and a molecular weight of 789.39 g/mol. Its IUPAC name is bis[5-(dimethylsilylmethyl)-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-(dimethylsilylmethyl)-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 CID162286493
Molecular FormulaC49H72N2OSi3
Molecular Weight789.39 g/mol
Exact Mass788.50
IUPAC Namebis[5-(dimethylsilylmethyl)-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)ccc1N3C[SiH](C)C)N2C[SiH](C)C
InChIInChI=1S/C49H72N2OSi3/c1-33-23-25-41-39(29-33)43-45(50(41)31-53(6)7)35-19-13-15-21-37(35)47(43)55(10,28-18-12-11-17-27-52-49(3,4)5)48-38-22-16-14-20-36(38)46-44(48)40-30-34(2)24-26-42(40)51(46)32-54(8)9/h13-16,19-26,29-30,35-38,43-48,53-54H,11-12,17-18,27-28,31-32H2,1-10H3
InChIKeyTVHTZHVESVVKLY-UHFFFAOYSA-N
XLogP11.54
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500789.39
LogP ≤ 511.54
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-(dimethylsilylmethyl)-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-(dimethylsilylmethyl)-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 162286493) is bis[5-(dimethylsilylmethyl)-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-(dimethylsilylmethyl)-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-(dimethylsilylmethyl)-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)ccc1N3C[SiH](C)C)N2C[SiH](C)C.
What is the InChIKey of bis[5-(dimethylsilylmethyl)-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 TVHTZHVESVVKLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H72N2OSi3/c1-33-23-25-41-39(29-33)43-45(50(41)31-53(6)7)35-19-13-15-21-37(35)47(43)55(10,28-18-12-11-17-27-52-49(3,4)5)48-38-22-16-14-20-36(38)46-44(48)40-30-34(2)24-26-42(40)51(46)32-54(8)9/h13-16,19-26,29-30,35-38,43-48,53-54H,11-12,17-18,27-28,31-32H2,1-10H3.
What are the key properties of bis[5-(dimethylsilylmethyl)-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-(dimethylsilylmethyl)-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 789.39 g/mol, XLogP of 11.54, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis[5-(dimethylsilylmethyl)-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 162286493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).