ethane;bis(1H-inden-1-ide);phenylmethylidenesilane;zirconium(4+)

C27H26SiZr — CID 150561415

IUPACethane;bis(1H-inden-1-ide);phenylmethylidenesilane;zirconium(4+)
SMILES[CH2-]C.[SiH2]=[C-]c1ccccc1.[Zr+4].c1ccc2[cH-]ccc2c1.c1ccc2[cH-]ccc2c1
InChIInChI=1S/2C9H7.C7H7Si.C2H5.Zr/c2*1-2-5-9-7-3-6-8(9)4-1;8-6-7-4-2-1-3-5-7;1-2;/h2*1-7H;1-5H,8H2;1H2,2H3;/q4*-1;+4
InChIKeyIJXUHHGUOYSNAJ-UHFFFAOYSA-N
MW469.82 g/mol
LogP6.30
Rot. Bonds1

About ethane;bis(1H-inden-1-ide);phenylmethylidenesilane;zirconium(4+)

ethane;bis(1H-inden-1-ide);phenylmethylidenesilane;zirconium(4+) (PubChem CID 150561415) has the molecular formula C27H26SiZr and a molecular weight of 469.82 g/mol. Its IUPAC name is ethane;bis(1H-inden-1-ide);phenylmethylidenesilane;zirconium(4+).

Molecular Properties

Compound Nameethane;bis(1H-inden-1-ide);phenylmethylidenesilane;zirconium(4+)
PubChem CID150561415
Molecular FormulaC27H26SiZr
Molecular Weight469.82 g/mol
Exact Mass468.09
IUPAC Nameethane;bis(1H-inden-1-ide);phenylmethylidenesilane;zirconium(4+)
SMILES[CH2-]C.[SiH2]=[C-]c1ccccc1.[Zr+4].c1ccc2[cH-]ccc2c1.c1ccc2[cH-]ccc2c1
InChIInChI=1S/2C9H7.C7H7Si.C2H5.Zr/c2*1-2-5-9-7-3-6-8(9)4-1;8-6-7-4-2-1-3-5-7;1-2;/h2*1-7H;1-5H,8H2;1H2,2H3;/q4*-1;+4
InChIKeyIJXUHHGUOYSNAJ-UHFFFAOYSA-N
XLogP6.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.82
LogP ≤ 56.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;bis(1H-inden-1-ide);phenylmethylidenesilane;zirconium(4+)?
The IUPAC name of ethane;bis(1H-inden-1-ide);phenylmethylidenesilane;zirconium(4+) (CID 150561415) is ethane;bis(1H-inden-1-ide);phenylmethylidenesilane;zirconium(4+).
What is the SMILES notation for ethane;bis(1H-inden-1-ide);phenylmethylidenesilane;zirconium(4+)?
The canonical SMILES for ethane;bis(1H-inden-1-ide);phenylmethylidenesilane;zirconium(4+) is [CH2-]C.[SiH2]=[C-]c1ccccc1.[Zr+4].c1ccc2[cH-]ccc2c1.c1ccc2[cH-]ccc2c1.
What is the InChIKey of ethane;bis(1H-inden-1-ide);phenylmethylidenesilane;zirconium(4+)?
The InChIKey is IJXUHHGUOYSNAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H7.C7H7Si.C2H5.Zr/c2*1-2-5-9-7-3-6-8(9)4-1;8-6-7-4-2-1-3-5-7;1-2;/h2*1-7H;1-5H,8H2;1H2,2H3;/q4*-1;+4.
What are the key properties of ethane;bis(1H-inden-1-ide);phenylmethylidenesilane;zirconium(4+)?
ethane;bis(1H-inden-1-ide);phenylmethylidenesilane;zirconium(4+) has a molecular weight of 469.82 g/mol, XLogP of 6.30, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;bis(1H-inden-1-ide);phenylmethylidenesilane;zirconium(4+) is sourced from PubChem (CID 150561415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).