bis(cyclopenta-1,3-diene);2,3-dihydro-1H-indene;zirconium(2+)

C19H20Zr — CID 159786889

IUPACbis(cyclopenta-1,3-diene);2,3-dihydro-1H-indene;zirconium(2+)
SMILES[Zr+2].c1cc[cH-]c1.c1cc[cH-]c1.c1ccc2c(c1)CCC2
InChIInChI=1S/C9H10.2C5H5.Zr/c1-2-5-9-7-3-6-8(9)4-1;2*1-2-4-5-3-1;/h1-2,4-5H,3,6-7H2;2*1-5H;/q;2*-1;+2
InChIKeyNIBGNZQFOXTVAU-UHFFFAOYSA-N
MW339.59 g/mol
LogP4.98
Rot. Bonds

About bis(cyclopenta-1,3-diene);2,3-dihydro-1H-indene;zirconium(2+)

bis(cyclopenta-1,3-diene);2,3-dihydro-1H-indene;zirconium(2+) (PubChem CID 159786889) has the molecular formula C19H20Zr and a molecular weight of 339.59 g/mol. Its IUPAC name is bis(cyclopenta-1,3-diene);2,3-dihydro-1H-indene;zirconium(2+).

Molecular Properties

Compound Namebis(cyclopenta-1,3-diene);2,3-dihydro-1H-indene;zirconium(2+)
PubChem CID159786889
Molecular FormulaC19H20Zr
Molecular Weight339.59 g/mol
Exact Mass338.06
IUPAC Namebis(cyclopenta-1,3-diene);2,3-dihydro-1H-indene;zirconium(2+)
SMILES[Zr+2].c1cc[cH-]c1.c1cc[cH-]c1.c1ccc2c(c1)CCC2
InChIInChI=1S/C9H10.2C5H5.Zr/c1-2-5-9-7-3-6-8(9)4-1;2*1-2-4-5-3-1;/h1-2,4-5H,3,6-7H2;2*1-5H;/q;2*-1;+2
InChIKeyNIBGNZQFOXTVAU-UHFFFAOYSA-N
XLogP4.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.59
LogP ≤ 54.98
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

Indane
CID 10326
1-Methyleneindan
CID 136931
Meso-ethylenebis(1-indenyl)zirconium(IV) dichloride
CID 16212518
Bis(indenyl)zirconium dichloride
CID 15789605
1-Methyl-3-nonylindan
CID 119861
Bisindenyltitanium dichloride
CID 202571
1-Benzylideneindan
CID 6068719
1-Methyl-3-octylindan
CID 119860
9-Cinnamylidene fluorene
CID 5378109
1-Benzyl-2,3-dihydro-1h-indene
CID 285601
Biindane
CID 12776678
Titanium, dichlorobis(4,5,6,7-tetrahydro-pi-indenyl)-
CID 202573

Frequently Asked Questions

What is the IUPAC name of bis(cyclopenta-1,3-diene);2,3-dihydro-1H-indene;zirconium(2+)?
The IUPAC name of bis(cyclopenta-1,3-diene);2,3-dihydro-1H-indene;zirconium(2+) (CID 159786889) is bis(cyclopenta-1,3-diene);2,3-dihydro-1H-indene;zirconium(2+).
What is the SMILES notation for bis(cyclopenta-1,3-diene);2,3-dihydro-1H-indene;zirconium(2+)?
The canonical SMILES for bis(cyclopenta-1,3-diene);2,3-dihydro-1H-indene;zirconium(2+) is [Zr+2].c1cc[cH-]c1.c1cc[cH-]c1.c1ccc2c(c1)CCC2.
What is the InChIKey of bis(cyclopenta-1,3-diene);2,3-dihydro-1H-indene;zirconium(2+)?
The InChIKey is NIBGNZQFOXTVAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10.2C5H5.Zr/c1-2-5-9-7-3-6-8(9)4-1;2*1-2-4-5-3-1;/h1-2,4-5H,3,6-7H2;2*1-5H;/q;2*-1;+2.
What are the key properties of bis(cyclopenta-1,3-diene);2,3-dihydro-1H-indene;zirconium(2+)?
bis(cyclopenta-1,3-diene);2,3-dihydro-1H-indene;zirconium(2+) has a molecular weight of 339.59 g/mol, XLogP of 4.98, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(cyclopenta-1,3-diene);2,3-dihydro-1H-indene;zirconium(2+) is sourced from PubChem (CID 159786889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).