carbanide;bis(2-ethyl-1H-inden-1-ide);propane;zirconium(3+);zirconium(4+)

C29H41Zr2 — CID 173263826

IUPACcarbanide;bis(2-ethyl-1H-inden-1-ide);propane;zirconium(3+);zirconium(4+)
SMILESCCc1cc2ccccc2[cH-]1.CCc1cc2ccccc2[cH-]1.C[CH-]C.[CH3-].[CH3-].[CH3-].[CH3-].[Zr+3].[Zr+4]
InChIInChI=1S/2C11H11.C3H7.4CH3.2Zr/c2*1-2-9-7-10-5-3-4-6-11(10)8-9;1-3-2;;;;;;/h2*3-8H,2H2,1H3;3H,1-2H3;4*1H3;;/q7*-1;+3;+4
InChIKeyAEFSYQQRGFKFQO-UHFFFAOYSA-N
MW572.10 g/mol
LogP9.27
Rot. Bonds2

About carbanide;bis(2-ethyl-1H-inden-1-ide);propane;zirconium(3+);zirconium(4+)

carbanide;bis(2-ethyl-1H-inden-1-ide);propane;zirconium(3+);zirconium(4+) (PubChem CID 173263826) has the molecular formula C29H41Zr2 and a molecular weight of 572.10 g/mol. Its IUPAC name is carbanide;bis(2-ethyl-1H-inden-1-ide);propane;zirconium(3+);zirconium(4+).

Molecular Properties

Compound Namecarbanide;bis(2-ethyl-1H-inden-1-ide);propane;zirconium(3+);zirconium(4+)
PubChem CID173263826
Molecular FormulaC29H41Zr2
Molecular Weight572.10 g/mol
Exact Mass569.13
IUPAC Namecarbanide;bis(2-ethyl-1H-inden-1-ide);propane;zirconium(3+);zirconium(4+)
SMILESCCc1cc2ccccc2[cH-]1.CCc1cc2ccccc2[cH-]1.C[CH-]C.[CH3-].[CH3-].[CH3-].[CH3-].[Zr+3].[Zr+4]
InChIInChI=1S/2C11H11.C3H7.4CH3.2Zr/c2*1-2-9-7-10-5-3-4-6-11(10)8-9;1-3-2;;;;;;/h2*3-8H,2H2,1H3;3H,1-2H3;4*1H3;;/q7*-1;+3;+4
InChIKeyAEFSYQQRGFKFQO-UHFFFAOYSA-N
XLogP9.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500572.10
LogP ≤ 59.27
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

CID 173161362
CID 173161362
chromium(3+);2-ethyl-1H-inden-1-ide;dichloride
CID 160866038
bis(2-ethyl-1H-inden-1-ide);scandium(3+);chloride
CID 174370815
CID 173162612
CID 173162612
CID 172721451
CID 172721451
CID 172728352
CID 172728352
CID 174221085
CID 174221085
2-ethyl-1H-inden-1-ide;1H-inden-1-ide;zirconium(4+);dichloride
CID 18369854
2-ethyl-1H-inden-1-ide;1,2,3,4,5-pentamethylcyclopenta-1,3-diene;zirconium(4+);diiodide
CID 172692568
diphenylsilylidenetitanium(2+);bis(2-ethyl-1H-inden-1-ide);dichloride
CID 158143792
2-butyl-1H-inden-1-ide;chromium
CID 150230338
bis(2-butyl-1H-inden-1-ide);hafnium(4+);dichloride
CID 21080024

Frequently Asked Questions

What is the IUPAC name of carbanide;bis(2-ethyl-1H-inden-1-ide);propane;zirconium(3+);zirconium(4+)?
The IUPAC name of carbanide;bis(2-ethyl-1H-inden-1-ide);propane;zirconium(3+);zirconium(4+) (CID 173263826) is carbanide;bis(2-ethyl-1H-inden-1-ide);propane;zirconium(3+);zirconium(4+).
What is the SMILES notation for carbanide;bis(2-ethyl-1H-inden-1-ide);propane;zirconium(3+);zirconium(4+)?
The canonical SMILES for carbanide;bis(2-ethyl-1H-inden-1-ide);propane;zirconium(3+);zirconium(4+) is CCc1cc2ccccc2[cH-]1.CCc1cc2ccccc2[cH-]1.C[CH-]C.[CH3-].[CH3-].[CH3-].[CH3-].[Zr+3].[Zr+4].
What is the InChIKey of carbanide;bis(2-ethyl-1H-inden-1-ide);propane;zirconium(3+);zirconium(4+)?
The InChIKey is AEFSYQQRGFKFQO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H11.C3H7.4CH3.2Zr/c2*1-2-9-7-10-5-3-4-6-11(10)8-9;1-3-2;;;;;;/h2*3-8H,2H2,1H3;3H,1-2H3;4*1H3;;/q7*-1;+3;+4.
What are the key properties of carbanide;bis(2-ethyl-1H-inden-1-ide);propane;zirconium(3+);zirconium(4+)?
carbanide;bis(2-ethyl-1H-inden-1-ide);propane;zirconium(3+);zirconium(4+) has a molecular weight of 572.10 g/mol, XLogP of 9.27, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;bis(2-ethyl-1H-inden-1-ide);propane;zirconium(3+);zirconium(4+) is sourced from PubChem (CID 173263826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).