butane;9H-fluoren-9-ide;1H-inden-1-ide;zirconium(4+)

C30H34Zr — CID 173019923

IUPACbutane;9H-fluoren-9-ide;1H-inden-1-ide;zirconium(4+)
SMILES[CH2-]CCC.[CH2-]CCC.[Zr+4].c1ccc2[cH-]ccc2c1.c1ccc2c(c1)[cH-]c1ccccc12
InChIInChI=1S/C13H9.C9H7.2C4H9.Zr/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-2-5-9-7-3-6-8(9)4-1;2*1-3-4-2;/h1-9H;1-7H;2*1,3-4H2,2H3;/q4*-1;+4
InChIKeyILKJTGJJZCABEY-UHFFFAOYSA-N
MW485.83 g/mol
LogP9.51
Rot. Bonds2

About butane;9H-fluoren-9-ide;1H-inden-1-ide;zirconium(4+)

butane;9H-fluoren-9-ide;1H-inden-1-ide;zirconium(4+) (PubChem CID 173019923) has the molecular formula C30H34Zr and a molecular weight of 485.83 g/mol. Its IUPAC name is butane;9H-fluoren-9-ide;1H-inden-1-ide;zirconium(4+).

Molecular Properties

Compound Namebutane;9H-fluoren-9-ide;1H-inden-1-ide;zirconium(4+)
PubChem CID173019923
Molecular FormulaC30H34Zr
Molecular Weight485.83 g/mol
Exact Mass484.17
IUPAC Namebutane;9H-fluoren-9-ide;1H-inden-1-ide;zirconium(4+)
SMILES[CH2-]CCC.[CH2-]CCC.[Zr+4].c1ccc2[cH-]ccc2c1.c1ccc2c(c1)[cH-]c1ccccc12
InChIInChI=1S/C13H9.C9H7.2C4H9.Zr/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-2-5-9-7-3-6-8(9)4-1;2*1-3-4-2;/h1-9H;1-7H;2*1,3-4H2,2H3;/q4*-1;+4
InChIKeyILKJTGJJZCABEY-UHFFFAOYSA-N
XLogP9.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.83
LogP ≤ 59.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

9H-fluoren-9-ide;1H-inden-1-ide;propane;zirconium(3+)
CID 173317485
CID 173309894
CID 173309894
ethene;9H-fluoren-9-ide;hafnium;bis(1H-inden-1-ide)
CID 173236911
CID 173309893
CID 173309893
CID 173237181
CID 173237181
CID 158657616
CID 158657616
CID 173265041
CID 173265041
CID 87205203
CID 87205203
chloromethane;ethane;bis(1H-inden-1-ide);zirconium(4+)
CID 172681800
CID 172782986
CID 172782986
1H-inden-1-ide;zirconium(4+);trichloride
CID 71421360
ethanolate;hafnium;1H-inden-1-ide
CID 159970065

Frequently Asked Questions

What is the IUPAC name of butane;9H-fluoren-9-ide;1H-inden-1-ide;zirconium(4+)?
The IUPAC name of butane;9H-fluoren-9-ide;1H-inden-1-ide;zirconium(4+) (CID 173019923) is butane;9H-fluoren-9-ide;1H-inden-1-ide;zirconium(4+).
What is the SMILES notation for butane;9H-fluoren-9-ide;1H-inden-1-ide;zirconium(4+)?
The canonical SMILES for butane;9H-fluoren-9-ide;1H-inden-1-ide;zirconium(4+) is [CH2-]CCC.[CH2-]CCC.[Zr+4].c1ccc2[cH-]ccc2c1.c1ccc2c(c1)[cH-]c1ccccc12.
What is the InChIKey of butane;9H-fluoren-9-ide;1H-inden-1-ide;zirconium(4+)?
The InChIKey is ILKJTGJJZCABEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9.C9H7.2C4H9.Zr/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-2-5-9-7-3-6-8(9)4-1;2*1-3-4-2;/h1-9H;1-7H;2*1,3-4H2,2H3;/q4*-1;+4.
What are the key properties of butane;9H-fluoren-9-ide;1H-inden-1-ide;zirconium(4+)?
butane;9H-fluoren-9-ide;1H-inden-1-ide;zirconium(4+) has a molecular weight of 485.83 g/mol, XLogP of 9.51, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butane;9H-fluoren-9-ide;1H-inden-1-ide;zirconium(4+) is sourced from PubChem (CID 173019923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).