1-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)-1H-indene;zirconium(4+);dichloride

C18H19Cl2Zr+ — CID 159935458

IUPAC1-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)-1H-indene;zirconium(4+);dichloride
SMILESCc1c(C)c(C)[c-](C2C=Cc3ccccc32)c1C.[Cl-].[Cl-].[Zr+4]
InChIInChI=1S/C18H19.2ClH.Zr/c1-11-12(2)14(4)18(13(11)3)17-10-9-15-7-5-6-8-16(15)17;;;/h5-10,17H,1-4H3;2*1H;/q-1;;;+4/p-2
InChIKeyNLTGIXQLAAYHCC-UHFFFAOYSA-L
MW397.48 g/mol
LogP-1.20
Rot. Bonds1

About 1-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)-1H-indene;zirconium(4+);dichloride

1-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)-1H-indene;zirconium(4+);dichloride (PubChem CID 159935458) has the molecular formula C18H19Cl2Zr+ and a molecular weight of 397.48 g/mol. Its IUPAC name is 1-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)-1H-indene;zirconium(4+);dichloride.

Molecular Properties

Compound Name1-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)-1H-indene;zirconium(4+);dichloride
PubChem CID159935458
Molecular FormulaC18H19Cl2Zr+
Molecular Weight397.48 g/mol
Exact Mass394.99
IUPAC Name1-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)-1H-indene;zirconium(4+);dichloride
SMILESCc1c(C)c(C)[c-](C2C=Cc3ccccc32)c1C.[Cl-].[Cl-].[Zr+4]
InChIInChI=1S/C18H19.2ClH.Zr/c1-11-12(2)14(4)18(13(11)3)17-10-9-15-7-5-6-8-16(15)17;;;/h5-10,17H,1-4H3;2*1H;/q-1;;;+4/p-2
InChIKeyNLTGIXQLAAYHCC-UHFFFAOYSA-L
XLogP-1.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 5-1.20
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

ethene;hafnium;1-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)-1H-indene;dichloride
CID 158688211
ethylidenetitanium(2+);1-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)-1H-indene
CID 154453522
1-(2,3,4-trimethylphenyl)-1H-indene
CID 21095865
1-(2-hydroxy-1,2-dihydronaphthalen-1-yl)-1,2-dihydronaphthalen-2-ol
CID 71289286
1-[[2-(1H-inden-1-ylmethyl)-4,5-dimethylphenyl]methyl]-1H-indene
CID 167430736
1H-inden-1-amine
CID 14298803
1H-inden-1-yl(trimethyl)plumbane
CID 23269464
bis(1H-inden-1-yl)-dimethylsilane
CID 599429
dimethylsilylidenetitanium(2+);1-(1H-inden-1-ylmethyl)-1H-indene;chloride
CID 87402290
dimethylsilylidenezirconium;1-(1H-inden-1-ylmethyl)-1H-indene;chloride
CID 18786229
(1R,2S)-2-methyl-1,2-dihydronaphthalen-1-ol
CID 13056069
1-ethenyl-1H-indene;titanium(2+);dichloride
CID 86754272

Frequently Asked Questions

What is the IUPAC name of 1-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)-1H-indene;zirconium(4+);dichloride?
The IUPAC name of 1-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)-1H-indene;zirconium(4+);dichloride (CID 159935458) is 1-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)-1H-indene;zirconium(4+);dichloride.
What is the SMILES notation for 1-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)-1H-indene;zirconium(4+);dichloride?
The canonical SMILES for 1-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)-1H-indene;zirconium(4+);dichloride is Cc1c(C)c(C)[c-](C2C=Cc3ccccc32)c1C.[Cl-].[Cl-].[Zr+4].
What is the InChIKey of 1-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)-1H-indene;zirconium(4+);dichloride?
The InChIKey is NLTGIXQLAAYHCC-UHFFFAOYSA-L. The full InChI is InChI=1S/C18H19.2ClH.Zr/c1-11-12(2)14(4)18(13(11)3)17-10-9-15-7-5-6-8-16(15)17;;;/h5-10,17H,1-4H3;2*1H;/q-1;;;+4/p-2.
What are the key properties of 1-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)-1H-indene;zirconium(4+);dichloride?
1-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)-1H-indene;zirconium(4+);dichloride has a molecular weight of 397.48 g/mol, XLogP of -1.20, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)-1H-indene;zirconium(4+);dichloride is sourced from PubChem (CID 159935458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).