bis(4-bromo-2-methyl-6-pyridin-4-yl-1H-inden-1-yl)-dimethylsilane

C32H28Br2N2Si — CID 67039924

IUPACbis(4-bromo-2-methyl-6-pyridin-4-yl-1H-inden-1-yl)-dimethylsilane
SMILESCC1=Cc2c(Br)cc(-c3ccncc3)cc2C1[Si](C)(C)C1C(C)=Cc2c(Br)cc(-c3ccncc3)cc21
InChIInChI=1S/C32H28Br2N2Si/c1-19-13-25-27(15-23(17-29(25)33)21-5-9-35-10-6-21)31(19)37(3,4)32-20(2)14-26-28(32)16-24(18-30(26)34)22-7-11-36-12-8-22/h5-18,31-32H,1-4H3
InChIKeyBFNOZTXYUPRBJS-UHFFFAOYSA-N
MW628.48 g/mol
LogP9.82
Rot. Bonds4

About bis(4-bromo-2-methyl-6-pyridin-4-yl-1H-inden-1-yl)-dimethylsilane

bis(4-bromo-2-methyl-6-pyridin-4-yl-1H-inden-1-yl)-dimethylsilane (PubChem CID 67039924) has the molecular formula C32H28Br2N2Si and a molecular weight of 628.48 g/mol. Its IUPAC name is bis(4-bromo-2-methyl-6-pyridin-4-yl-1H-inden-1-yl)-dimethylsilane.

Molecular Properties

Compound Namebis(4-bromo-2-methyl-6-pyridin-4-yl-1H-inden-1-yl)-dimethylsilane
PubChem CID67039924
Molecular FormulaC32H28Br2N2Si
Molecular Weight628.48 g/mol
Exact Mass626.04
IUPAC Namebis(4-bromo-2-methyl-6-pyridin-4-yl-1H-inden-1-yl)-dimethylsilane
SMILESCC1=Cc2c(Br)cc(-c3ccncc3)cc2C1[Si](C)(C)C1C(C)=Cc2c(Br)cc(-c3ccncc3)cc21
InChIInChI=1S/C32H28Br2N2Si/c1-19-13-25-27(15-23(17-29(25)33)21-5-9-35-10-6-21)31(19)37(3,4)32-20(2)14-26-28(32)16-24(18-30(26)34)22-7-11-36-12-8-22/h5-18,31-32H,1-4H3
InChIKeyBFNOZTXYUPRBJS-UHFFFAOYSA-N
XLogP9.82
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500628.48
LogP ≤ 59.82
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(4-bromo-2-methyl-6-pyridin-4-yl-1H-inden-1-yl)-dimethylsilane?
The IUPAC name of bis(4-bromo-2-methyl-6-pyridin-4-yl-1H-inden-1-yl)-dimethylsilane (CID 67039924) is bis(4-bromo-2-methyl-6-pyridin-4-yl-1H-inden-1-yl)-dimethylsilane.
What is the SMILES notation for bis(4-bromo-2-methyl-6-pyridin-4-yl-1H-inden-1-yl)-dimethylsilane?
The canonical SMILES for bis(4-bromo-2-methyl-6-pyridin-4-yl-1H-inden-1-yl)-dimethylsilane is CC1=Cc2c(Br)cc(-c3ccncc3)cc2C1[Si](C)(C)C1C(C)=Cc2c(Br)cc(-c3ccncc3)cc21.
What is the InChIKey of bis(4-bromo-2-methyl-6-pyridin-4-yl-1H-inden-1-yl)-dimethylsilane?
The InChIKey is BFNOZTXYUPRBJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H28Br2N2Si/c1-19-13-25-27(15-23(17-29(25)33)21-5-9-35-10-6-21)31(19)37(3,4)32-20(2)14-26-28(32)16-24(18-30(26)34)22-7-11-36-12-8-22/h5-18,31-32H,1-4H3.
What are the key properties of bis(4-bromo-2-methyl-6-pyridin-4-yl-1H-inden-1-yl)-dimethylsilane?
bis(4-bromo-2-methyl-6-pyridin-4-yl-1H-inden-1-yl)-dimethylsilane has a molecular weight of 628.48 g/mol, XLogP of 9.82, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-bromo-2-methyl-6-pyridin-4-yl-1H-inden-1-yl)-dimethylsilane is sourced from PubChem (CID 67039924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).