bis(2-methoxy-5-methyl-6H-indeno[2,3-b]indol-6-yl)-dimethylsilane

C36H34N2O2Si — CID 22722362

IUPACbis(2-methoxy-5-methyl-6H-indeno[2,3-b]indol-6-yl)-dimethylsilane
SMILESCOc1ccc2c(c1)c1c(n2C)C([Si](C)(C)C2c3ccccc3-c3c2n(C)c2ccc(OC)cc32)c2ccccc2-1
InChIInChI=1S/C36H34N2O2Si/c1-37-29-17-15-21(39-3)19-27(29)31-23-11-7-9-13-25(23)35(33(31)37)41(5,6)36-26-14-10-8-12-24(26)32-28-20-22(40-4)16-18-30(28)38(2)34(32)36/h7-20,35-36H,1-6H3
InChIKeyZWFQQKXYXATBKE-UHFFFAOYSA-N
MW554.77 g/mol
LogP8.40
Rot. Bonds4

About bis(2-methoxy-5-methyl-6H-indeno[2,3-b]indol-6-yl)-dimethylsilane

bis(2-methoxy-5-methyl-6H-indeno[2,3-b]indol-6-yl)-dimethylsilane (PubChem CID 22722362) has the molecular formula C36H34N2O2Si and a molecular weight of 554.77 g/mol. Its IUPAC name is bis(2-methoxy-5-methyl-6H-indeno[2,3-b]indol-6-yl)-dimethylsilane.

Molecular Properties

Compound Namebis(2-methoxy-5-methyl-6H-indeno[2,3-b]indol-6-yl)-dimethylsilane
PubChem CID22722362
Molecular FormulaC36H34N2O2Si
Molecular Weight554.77 g/mol
Exact Mass554.24
IUPAC Namebis(2-methoxy-5-methyl-6H-indeno[2,3-b]indol-6-yl)-dimethylsilane
SMILESCOc1ccc2c(c1)c1c(n2C)C([Si](C)(C)C2c3ccccc3-c3c2n(C)c2ccc(OC)cc32)c2ccccc2-1
InChIInChI=1S/C36H34N2O2Si/c1-37-29-17-15-21(39-3)19-27(29)31-23-11-7-9-13-25(23)35(33(31)37)41(5,6)36-26-14-10-8-12-24(26)32-28-20-22(40-4)16-18-30(28)38(2)34(32)36/h7-20,35-36H,1-6H3
InChIKeyZWFQQKXYXATBKE-UHFFFAOYSA-N
XLogP8.40
TPSA28.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.77
LogP ≤ 58.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(2-methoxy-5-methyl-6H-indeno[2,3-b]indol-6-yl)-dimethylsilane?
The IUPAC name of bis(2-methoxy-5-methyl-6H-indeno[2,3-b]indol-6-yl)-dimethylsilane (CID 22722362) is bis(2-methoxy-5-methyl-6H-indeno[2,3-b]indol-6-yl)-dimethylsilane.
What is the SMILES notation for bis(2-methoxy-5-methyl-6H-indeno[2,3-b]indol-6-yl)-dimethylsilane?
The canonical SMILES for bis(2-methoxy-5-methyl-6H-indeno[2,3-b]indol-6-yl)-dimethylsilane is COc1ccc2c(c1)c1c(n2C)C([Si](C)(C)C2c3ccccc3-c3c2n(C)c2ccc(OC)cc32)c2ccccc2-1.
What is the InChIKey of bis(2-methoxy-5-methyl-6H-indeno[2,3-b]indol-6-yl)-dimethylsilane?
The InChIKey is ZWFQQKXYXATBKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H34N2O2Si/c1-37-29-17-15-21(39-3)19-27(29)31-23-11-7-9-13-25(23)35(33(31)37)41(5,6)36-26-14-10-8-12-24(26)32-28-20-22(40-4)16-18-30(28)38(2)34(32)36/h7-20,35-36H,1-6H3.
What are the key properties of bis(2-methoxy-5-methyl-6H-indeno[2,3-b]indol-6-yl)-dimethylsilane?
bis(2-methoxy-5-methyl-6H-indeno[2,3-b]indol-6-yl)-dimethylsilane has a molecular weight of 554.77 g/mol, XLogP of 8.40, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-methoxy-5-methyl-6H-indeno[2,3-b]indol-6-yl)-dimethylsilane is sourced from PubChem (CID 22722362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).