bis(7-bromo-5H-indeno[1,2-c]pyridin-5-ide);dimethylsilylidenezirconium(2+);dichloride

C26H20Br2Cl2N2SiZr-2 — CID 159306845

IUPACbis(7-bromo-5H-indeno[1,2-c]pyridin-5-ide);dimethylsilylidenezirconium(2+);dichloride
SMILESBrc1ccc2c(c1)[cH-]c1ccncc12.Brc1ccc2c(c1)[cH-]c1ccncc12.C[Si](C)=[Zr+2].[Cl-].[Cl-]
InChIInChI=1S/2C12H7BrN.C2H6Si.2ClH.Zr/c2*13-10-1-2-11-9(6-10)5-8-3-4-14-7-12(8)11;1-3-2;;;/h2*1-7H;1-2H3;2*1H;/q2*-1;;;;+2/p-2
InChIKeyVOFIVXUERLBYMY-UHFFFAOYSA-L
MW710.48 g/mol
LogP2.53
Rot. Bonds

About bis(7-bromo-5H-indeno[1,2-c]pyridin-5-ide);dimethylsilylidenezirconium(2+);dichloride

bis(7-bromo-5H-indeno[1,2-c]pyridin-5-ide);dimethylsilylidenezirconium(2+);dichloride (PubChem CID 159306845) has the molecular formula C26H20Br2Cl2N2SiZr-2 and a molecular weight of 710.48 g/mol. Its IUPAC name is bis(7-bromo-5H-indeno[1,2-c]pyridin-5-ide);dimethylsilylidenezirconium(2+);dichloride.

Molecular Properties

Compound Namebis(7-bromo-5H-indeno[1,2-c]pyridin-5-ide);dimethylsilylidenezirconium(2+);dichloride
PubChem CID159306845
Molecular FormulaC26H20Br2Cl2N2SiZr-2
Molecular Weight710.48 g/mol
Exact Mass705.82
IUPAC Namebis(7-bromo-5H-indeno[1,2-c]pyridin-5-ide);dimethylsilylidenezirconium(2+);dichloride
SMILESBrc1ccc2c(c1)[cH-]c1ccncc12.Brc1ccc2c(c1)[cH-]c1ccncc12.C[Si](C)=[Zr+2].[Cl-].[Cl-]
InChIInChI=1S/2C12H7BrN.C2H6Si.2ClH.Zr/c2*13-10-1-2-11-9(6-10)5-8-3-4-14-7-12(8)11;1-3-2;;;/h2*1-7H;1-2H3;2*1H;/q2*-1;;;;+2/p-2
InChIKeyVOFIVXUERLBYMY-UHFFFAOYSA-L
XLogP2.53
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500710.48
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze bis(7-bromo-5H-indeno[1,2-c]pyridin-5-ide);dimethylsilylidenezirconium(2+);dichloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

bis(2,7-dibromo-9H-fluoren-9-ide);bis(zirconium(2+));dichloride
CID 22436019
sodium 2,7-dibromo-9H-fluoren-9-ide
CID 162767224
2,7-dibromo-9H-fluoren-9-ide;methanesulfonate;zirconium(3+)
CID 158920612
bis(2-bromo-1H-inden-1-ide);dimethylsilylidenezirconium(2+);dichloride
CID 160887179
8-bromo-5H-pyrido[4,3-b]indole
CID 15550397
9-bromobenzo[h]isoquinoline-6-carbonitrile
CID 57455559
7-bromo-5-phenylpyrido[4,3-b]indole
CID 129221574
4-bromopyridine
CID 67630228
bis(2,3-dimethyl-4H-indeno[2,1-b]pyrrol-4-ide);dimethylsilylidenezirconium(2+);dichloride
CID 162181422
7-bromo-8,9-difluoro-5H-pyrido[4,3-b]indole
CID 134489276
4-(4-bromo-2-methoxyphenyl)-3-chloropyridine
CID 90079502
5-N-(4-bromo-2-fluorophenyl)isoquinoline-5,8-diamine
CID 43448758

Frequently Asked Questions

What is the IUPAC name of bis(7-bromo-5H-indeno[1,2-c]pyridin-5-ide);dimethylsilylidenezirconium(2+);dichloride?
The IUPAC name of bis(7-bromo-5H-indeno[1,2-c]pyridin-5-ide);dimethylsilylidenezirconium(2+);dichloride (CID 159306845) is bis(7-bromo-5H-indeno[1,2-c]pyridin-5-ide);dimethylsilylidenezirconium(2+);dichloride.
What is the SMILES notation for bis(7-bromo-5H-indeno[1,2-c]pyridin-5-ide);dimethylsilylidenezirconium(2+);dichloride?
The canonical SMILES for bis(7-bromo-5H-indeno[1,2-c]pyridin-5-ide);dimethylsilylidenezirconium(2+);dichloride is Brc1ccc2c(c1)[cH-]c1ccncc12.Brc1ccc2c(c1)[cH-]c1ccncc12.C[Si](C)=[Zr+2].[Cl-].[Cl-].
What is the InChIKey of bis(7-bromo-5H-indeno[1,2-c]pyridin-5-ide);dimethylsilylidenezirconium(2+);dichloride?
The InChIKey is VOFIVXUERLBYMY-UHFFFAOYSA-L. The full InChI is InChI=1S/2C12H7BrN.C2H6Si.2ClH.Zr/c2*13-10-1-2-11-9(6-10)5-8-3-4-14-7-12(8)11;1-3-2;;;/h2*1-7H;1-2H3;2*1H;/q2*-1;;;;+2/p-2.
What are the key properties of bis(7-bromo-5H-indeno[1,2-c]pyridin-5-ide);dimethylsilylidenezirconium(2+);dichloride?
bis(7-bromo-5H-indeno[1,2-c]pyridin-5-ide);dimethylsilylidenezirconium(2+);dichloride has a molecular weight of 710.48 g/mol, XLogP of 2.53, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(7-bromo-5H-indeno[1,2-c]pyridin-5-ide);dimethylsilylidenezirconium(2+);dichloride is sourced from PubChem (CID 159306845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).