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

C43H48N2OSi — CID 140721281

IUPACmethyl-bis(5-methyl-10H-indeno[1,2-b]indol-10-yl)-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane
SMILESCn1c2c(c3ccccc31)C([Si](C)(CCCCCCOC(C)(C)C)C1c3ccccc3-c3c1c1ccccc1n3C)c1ccccc1-2
InChIInChI=1S/C43H48N2OSi/c1-43(2,3)46-27-17-7-8-18-28-47(6,41-31-21-11-9-19-29(31)39-37(41)33-23-13-15-25-35(33)44(39)4)42-32-22-12-10-20-30(32)40-38(42)34-24-14-16-26-36(34)45(40)5/h9-16,19-26,41-42H,7-8,17-18,27-28H2,1-6H3
InChIKeyABMRJVJYWJDYGK-UHFFFAOYSA-N
MW636.96 g/mol
LogP11.13
Rot. Bonds9

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

methyl-bis(5-methyl-10H-indeno[1,2-b]indol-10-yl)-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane (PubChem CID 140721281) has the molecular formula C43H48N2OSi and a molecular weight of 636.96 g/mol. Its IUPAC name is methyl-bis(5-methyl-10H-indeno[1,2-b]indol-10-yl)-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane.

Molecular Properties

Compound Namemethyl-bis(5-methyl-10H-indeno[1,2-b]indol-10-yl)-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane
PubChem CID140721281
Molecular FormulaC43H48N2OSi
Molecular Weight636.96 g/mol
Exact Mass636.35
IUPAC Namemethyl-bis(5-methyl-10H-indeno[1,2-b]indol-10-yl)-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane
SMILESCn1c2c(c3ccccc31)C([Si](C)(CCCCCCOC(C)(C)C)C1c3ccccc3-c3c1c1ccccc1n3C)c1ccccc1-2
InChIInChI=1S/C43H48N2OSi/c1-43(2,3)46-27-17-7-8-18-28-47(6,41-31-21-11-9-19-29(31)39-37(41)33-23-13-15-25-35(33)44(39)4)42-32-22-12-10-20-30(32)40-38(42)34-24-14-16-26-36(34)45(40)5/h9-16,19-26,41-42H,7-8,17-18,27-28H2,1-6H3
InChIKeyABMRJVJYWJDYGK-UHFFFAOYSA-N
XLogP11.13
TPSA19.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500636.96
LogP ≤ 511.13
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 methyl-bis(5-methyl-10H-indeno[1,2-b]indol-10-yl)-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane?
The IUPAC name of methyl-bis(5-methyl-10H-indeno[1,2-b]indol-10-yl)-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane (CID 140721281) is methyl-bis(5-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(5-methyl-10H-indeno[1,2-b]indol-10-yl)-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane?
The canonical SMILES for methyl-bis(5-methyl-10H-indeno[1,2-b]indol-10-yl)-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane is Cn1c2c(c3ccccc31)C([Si](C)(CCCCCCOC(C)(C)C)C1c3ccccc3-c3c1c1ccccc1n3C)c1ccccc1-2.
What is the InChIKey of methyl-bis(5-methyl-10H-indeno[1,2-b]indol-10-yl)-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane?
The InChIKey is ABMRJVJYWJDYGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H48N2OSi/c1-43(2,3)46-27-17-7-8-18-28-47(6,41-31-21-11-9-19-29(31)39-37(41)33-23-13-15-25-35(33)44(39)4)42-32-22-12-10-20-30(32)40-38(42)34-24-14-16-26-36(34)45(40)5/h9-16,19-26,41-42H,7-8,17-18,27-28H2,1-6H3.
What are the key properties of methyl-bis(5-methyl-10H-indeno[1,2-b]indol-10-yl)-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane?
methyl-bis(5-methyl-10H-indeno[1,2-b]indol-10-yl)-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane has a molecular weight of 636.96 g/mol, XLogP of 11.13, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-bis(5-methyl-10H-indeno[1,2-b]indol-10-yl)-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane is sourced from PubChem (CID 140721281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).