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

C42H46N2Si — CID 15533739

IUPACbis(2-tert-butyl-5-methyl-6H-indeno[2,3-b]indol-6-yl)-dimethylsilane
SMILESCn1c2c(c3cc(C(C)(C)C)ccc31)-c1ccccc1C2[Si](C)(C)C1c2ccccc2-c2c1n(C)c1ccc(C(C)(C)C)cc21
InChIInChI=1S/C42H46N2Si/c1-41(2,3)25-19-21-33-31(23-25)35-27-15-11-13-17-29(27)39(37(35)43(33)7)45(9,10)40-30-18-14-12-16-28(30)36-32-24-26(42(4,5)6)20-22-34(32)44(8)38(36)40/h11-24,39-40H,1-10H3
InChIKeyGJMPBIZXSIIFDS-UHFFFAOYSA-N
MW606.93 g/mol
LogP10.98
Rot. Bonds2

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

bis(2-tert-butyl-5-methyl-6H-indeno[2,3-b]indol-6-yl)-dimethylsilane (PubChem CID 15533739) has the molecular formula C42H46N2Si and a molecular weight of 606.93 g/mol. Its IUPAC name is bis(2-tert-butyl-5-methyl-6H-indeno[2,3-b]indol-6-yl)-dimethylsilane.

Molecular Properties

Compound Namebis(2-tert-butyl-5-methyl-6H-indeno[2,3-b]indol-6-yl)-dimethylsilane
PubChem CID15533739
Molecular FormulaC42H46N2Si
Molecular Weight606.93 g/mol
Exact Mass606.34
IUPAC Namebis(2-tert-butyl-5-methyl-6H-indeno[2,3-b]indol-6-yl)-dimethylsilane
SMILESCn1c2c(c3cc(C(C)(C)C)ccc31)-c1ccccc1C2[Si](C)(C)C1c2ccccc2-c2c1n(C)c1ccc(C(C)(C)C)cc21
InChIInChI=1S/C42H46N2Si/c1-41(2,3)25-19-21-33-31(23-25)35-27-15-11-13-17-29(27)39(37(35)43(33)7)45(9,10)40-30-18-14-12-16-28(30)36-32-24-26(42(4,5)6)20-22-34(32)44(8)38(36)40/h11-24,39-40H,1-10H3
InChIKeyGJMPBIZXSIIFDS-UHFFFAOYSA-N
XLogP10.98
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500606.93
LogP ≤ 510.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-tert-butyl-5-methyl-6H-indeno[2,3-b]indol-6-yl)-dimethylsilane?
The IUPAC name of bis(2-tert-butyl-5-methyl-6H-indeno[2,3-b]indol-6-yl)-dimethylsilane (CID 15533739) is bis(2-tert-butyl-5-methyl-6H-indeno[2,3-b]indol-6-yl)-dimethylsilane.
What is the SMILES notation for bis(2-tert-butyl-5-methyl-6H-indeno[2,3-b]indol-6-yl)-dimethylsilane?
The canonical SMILES for bis(2-tert-butyl-5-methyl-6H-indeno[2,3-b]indol-6-yl)-dimethylsilane is Cn1c2c(c3cc(C(C)(C)C)ccc31)-c1ccccc1C2[Si](C)(C)C1c2ccccc2-c2c1n(C)c1ccc(C(C)(C)C)cc21.
What is the InChIKey of bis(2-tert-butyl-5-methyl-6H-indeno[2,3-b]indol-6-yl)-dimethylsilane?
The InChIKey is GJMPBIZXSIIFDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H46N2Si/c1-41(2,3)25-19-21-33-31(23-25)35-27-15-11-13-17-29(27)39(37(35)43(33)7)45(9,10)40-30-18-14-12-16-28(30)36-32-24-26(42(4,5)6)20-22-34(32)44(8)38(36)40/h11-24,39-40H,1-10H3.
What are the key properties of bis(2-tert-butyl-5-methyl-6H-indeno[2,3-b]indol-6-yl)-dimethylsilane?
bis(2-tert-butyl-5-methyl-6H-indeno[2,3-b]indol-6-yl)-dimethylsilane has a molecular weight of 606.93 g/mol, XLogP of 10.98, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-tert-butyl-5-methyl-6H-indeno[2,3-b]indol-6-yl)-dimethylsilane is sourced from PubChem (CID 15533739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).