cyclopenta-1,3-diene;ethane;1H-inden-1-ide;phenylmethylidenesilane;zirconium(4+)

C23H24SiZr — CID 151237628

IUPACcyclopenta-1,3-diene;ethane;1H-inden-1-ide;phenylmethylidenesilane;zirconium(4+)
SMILES[CH2-]C.[SiH2]=[C-]c1ccccc1.[Zr+4].c1cc[cH-]c1.c1ccc2[cH-]ccc2c1
InChIInChI=1S/C9H7.C7H7Si.C5H5.C2H5.Zr/c1-2-5-9-7-3-6-8(9)4-1;8-6-7-4-2-1-3-5-7;1-2-4-5-3-1;1-2;/h1-7H;1-5H,8H2;1-5H;1H2,2H3;/q4*-1;+4
InChIKeyNPPXITAWGOVOMF-UHFFFAOYSA-N
MW419.76 g/mol
LogP5.15
Rot. Bonds1

About cyclopenta-1,3-diene;ethane;1H-inden-1-ide;phenylmethylidenesilane;zirconium(4+)

cyclopenta-1,3-diene;ethane;1H-inden-1-ide;phenylmethylidenesilane;zirconium(4+) (PubChem CID 151237628) has the molecular formula C23H24SiZr and a molecular weight of 419.76 g/mol. Its IUPAC name is cyclopenta-1,3-diene;ethane;1H-inden-1-ide;phenylmethylidenesilane;zirconium(4+).

Molecular Properties

Compound Namecyclopenta-1,3-diene;ethane;1H-inden-1-ide;phenylmethylidenesilane;zirconium(4+)
PubChem CID151237628
Molecular FormulaC23H24SiZr
Molecular Weight419.76 g/mol
Exact Mass418.07
IUPAC Namecyclopenta-1,3-diene;ethane;1H-inden-1-ide;phenylmethylidenesilane;zirconium(4+)
SMILES[CH2-]C.[SiH2]=[C-]c1ccccc1.[Zr+4].c1cc[cH-]c1.c1ccc2[cH-]ccc2c1
InChIInChI=1S/C9H7.C7H7Si.C5H5.C2H5.Zr/c1-2-5-9-7-3-6-8(9)4-1;8-6-7-4-2-1-3-5-7;1-2-4-5-3-1;1-2;/h1-7H;1-5H,8H2;1-5H;1H2,2H3;/q4*-1;+4
InChIKeyNPPXITAWGOVOMF-UHFFFAOYSA-N
XLogP5.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.76
LogP ≤ 55.15
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'}

Analyze cyclopenta-1,3-diene;ethane;1H-inden-1-ide;phenylmethylidenesilane;zirconium(4+) with MolForge

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Launch Full Analysis

Related Compounds

ethane;bis(1H-inden-1-ide);phenylmethylidenesilane;zirconium(4+)
CID 150561415
cyclopenta-1,3-diene;1H-inden-1-ide;zirconium(4+)
CID 175934824
cyclopenta-1,3-diene;1H-inden-1-ide;phenylmethanone;zirconium(4+);dihydrochloride
CID 172725766
chloromethane;ethane;bis(1H-inden-1-ide);zirconium(4+)
CID 172681800
cyclopenta-1,3-diene;1H-inden-1-ide;titanium(2+)
CID 154419987
carbanide;cyclopenta-1,3-diene;1H-inden-1-ide;iron
CID 176655072
carbanide;cyclopenta-1,3-diene;1H-inden-1-ide;titanium(4+)
CID 15303001
carbanide;cyclopenta-1,3-diene;hafnium(4+);1H-inden-1-ide
CID 148548337
cyclopenta-1,3-diene;difluorozirconium(2+);1H-inden-1-ide
CID 141083945
cyclopenta-1,3-diene;dichlorozirconium(2+);1H-inden-1-ide
CID 15397844
cyclopenta-1,3-diene;dimethylgermylidenezirconium(2+);1H-inden-1-ide;dichloride
CID 158276689
1H-inden-1-ide;zirconium(4+);trichloride
CID 71421360

Frequently Asked Questions

What is the IUPAC name of cyclopenta-1,3-diene;ethane;1H-inden-1-ide;phenylmethylidenesilane;zirconium(4+)?
The IUPAC name of cyclopenta-1,3-diene;ethane;1H-inden-1-ide;phenylmethylidenesilane;zirconium(4+) (CID 151237628) is cyclopenta-1,3-diene;ethane;1H-inden-1-ide;phenylmethylidenesilane;zirconium(4+).
What is the SMILES notation for cyclopenta-1,3-diene;ethane;1H-inden-1-ide;phenylmethylidenesilane;zirconium(4+)?
The canonical SMILES for cyclopenta-1,3-diene;ethane;1H-inden-1-ide;phenylmethylidenesilane;zirconium(4+) is [CH2-]C.[SiH2]=[C-]c1ccccc1.[Zr+4].c1cc[cH-]c1.c1ccc2[cH-]ccc2c1.
What is the InChIKey of cyclopenta-1,3-diene;ethane;1H-inden-1-ide;phenylmethylidenesilane;zirconium(4+)?
The InChIKey is NPPXITAWGOVOMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7.C7H7Si.C5H5.C2H5.Zr/c1-2-5-9-7-3-6-8(9)4-1;8-6-7-4-2-1-3-5-7;1-2-4-5-3-1;1-2;/h1-7H;1-5H,8H2;1-5H;1H2,2H3;/q4*-1;+4.
What are the key properties of cyclopenta-1,3-diene;ethane;1H-inden-1-ide;phenylmethylidenesilane;zirconium(4+)?
cyclopenta-1,3-diene;ethane;1H-inden-1-ide;phenylmethylidenesilane;zirconium(4+) has a molecular weight of 419.76 g/mol, XLogP of 5.15, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-1,3-diene;ethane;1H-inden-1-ide;phenylmethylidenesilane;zirconium(4+) is sourced from PubChem (CID 151237628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).