9H-fluoren-9-ide;1H-inden-1-ide;propane;zirconium(3+)

C25H23Zr — CID 173317485

IUPAC9H-fluoren-9-ide;1H-inden-1-ide;propane;zirconium(3+)
SMILESC[CH-]C.[Zr+3].c1ccc2[cH-]ccc2c1.c1ccc2c(c1)[cH-]c1ccccc12
InChIInChI=1S/C13H9.C9H7.C3H7.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;1-3-2;/h1-9H;1-7H;3H,1-2H3;/q3*-1;+3
InChIKeyIQARMCWBVREEHO-UHFFFAOYSA-N
MW414.68 g/mol
LogP7.50
Rot. Bonds

About 9H-fluoren-9-ide;1H-inden-1-ide;propane;zirconium(3+)

9H-fluoren-9-ide;1H-inden-1-ide;propane;zirconium(3+) (PubChem CID 173317485) has the molecular formula C25H23Zr and a molecular weight of 414.68 g/mol. Its IUPAC name is 9H-fluoren-9-ide;1H-inden-1-ide;propane;zirconium(3+).

Molecular Properties

Compound Name9H-fluoren-9-ide;1H-inden-1-ide;propane;zirconium(3+)
PubChem CID173317485
Molecular FormulaC25H23Zr
Molecular Weight414.68 g/mol
Exact Mass413.08
IUPAC Name9H-fluoren-9-ide;1H-inden-1-ide;propane;zirconium(3+)
SMILESC[CH-]C.[Zr+3].c1ccc2[cH-]ccc2c1.c1ccc2c(c1)[cH-]c1ccccc12
InChIInChI=1S/C13H9.C9H7.C3H7.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;1-3-2;/h1-9H;1-7H;3H,1-2H3;/q3*-1;+3
InChIKeyIQARMCWBVREEHO-UHFFFAOYSA-N
XLogP7.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.68
LogP ≤ 57.50
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 173309894
CID 173309894
ethene;9H-fluoren-9-ide;hafnium;bis(1H-inden-1-ide)
CID 173236911
CID 173309893
CID 173309893
CID 173237181
CID 173237181
butane;9H-fluoren-9-ide;1H-inden-1-ide;zirconium(4+)
CID 173019923
CID 158657616
CID 158657616
CID 172782986
CID 172782986
2,3-dimethyl-1H-inden-1-ide;1H-inden-1-ide;silylidenetitanium(2+)
CID 161494511
CID 173237214
CID 173237214
1H-inden-1-ide;titanium;dihydrochloride
CID 87738152
1H-inden-1-ide;titanium(3+);difluoride
CID 87792956
1H-inden-1-ide;zirconium(4+);trichloride
CID 71421360

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ide;1H-inden-1-ide;propane;zirconium(3+)?
The IUPAC name of 9H-fluoren-9-ide;1H-inden-1-ide;propane;zirconium(3+) (CID 173317485) is 9H-fluoren-9-ide;1H-inden-1-ide;propane;zirconium(3+).
What is the SMILES notation for 9H-fluoren-9-ide;1H-inden-1-ide;propane;zirconium(3+)?
The canonical SMILES for 9H-fluoren-9-ide;1H-inden-1-ide;propane;zirconium(3+) is C[CH-]C.[Zr+3].c1ccc2[cH-]ccc2c1.c1ccc2c(c1)[cH-]c1ccccc12.
What is the InChIKey of 9H-fluoren-9-ide;1H-inden-1-ide;propane;zirconium(3+)?
The InChIKey is IQARMCWBVREEHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9.C9H7.C3H7.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;1-3-2;/h1-9H;1-7H;3H,1-2H3;/q3*-1;+3.
What are the key properties of 9H-fluoren-9-ide;1H-inden-1-ide;propane;zirconium(3+)?
9H-fluoren-9-ide;1H-inden-1-ide;propane;zirconium(3+) has a molecular weight of 414.68 g/mol, XLogP of 7.50, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ide;1H-inden-1-ide;propane;zirconium(3+) is sourced from PubChem (CID 173317485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).