benzylidenezirconium(2+);1H-inden-1-ide;5-methylcyclopenta-1,3-diene;dichloride

C22H20Cl2Zr-2 — CID 158078499

IUPACbenzylidenezirconium(2+);1H-inden-1-ide;5-methylcyclopenta-1,3-diene;dichloride
SMILESC[c-]1cccc1.[Cl-].[Cl-].[Zr+2]=Cc1ccccc1.c1ccc2[cH-]ccc2c1
InChIInChI=1S/C9H7.C7H6.C6H7.2ClH.Zr/c1-2-5-9-7-3-6-8(9)4-1;1-7-5-3-2-4-6-7;1-6-4-2-3-5-6;;;/h1-7H;1-6H;2-5H,1H3;2*1H;/q-1;;-1;;;+2/p-2
InChIKeyUZUGBFDJJYVAKU-UHFFFAOYSA-L
MW446.53 g/mol
LogP-0.34
Rot. Bonds1

About benzylidenezirconium(2+);1H-inden-1-ide;5-methylcyclopenta-1,3-diene;dichloride

benzylidenezirconium(2+);1H-inden-1-ide;5-methylcyclopenta-1,3-diene;dichloride (PubChem CID 158078499) has the molecular formula C22H20Cl2Zr-2 and a molecular weight of 446.53 g/mol. Its IUPAC name is benzylidenezirconium(2+);1H-inden-1-ide;5-methylcyclopenta-1,3-diene;dichloride.

Molecular Properties

Compound Namebenzylidenezirconium(2+);1H-inden-1-ide;5-methylcyclopenta-1,3-diene;dichloride
PubChem CID158078499
Molecular FormulaC22H20Cl2Zr-2
Molecular Weight446.53 g/mol
Exact Mass444.00
IUPAC Namebenzylidenezirconium(2+);1H-inden-1-ide;5-methylcyclopenta-1,3-diene;dichloride
SMILESC[c-]1cccc1.[Cl-].[Cl-].[Zr+2]=Cc1ccccc1.c1ccc2[cH-]ccc2c1
InChIInChI=1S/C9H7.C7H6.C6H7.2ClH.Zr/c1-2-5-9-7-3-6-8(9)4-1;1-7-5-3-2-4-6-7;1-6-4-2-3-5-6;;;/h1-7H;1-6H;2-5H,1H3;2*1H;/q-1;;-1;;;+2/p-2
InChIKeyUZUGBFDJJYVAKU-UHFFFAOYSA-L
XLogP-0.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.53
LogP ≤ 5-0.34
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

1-Methyl-3-phenylindane
CID 22924
9,9'-Bifluorene
CID 137063
9H-Fluorene, 9-(9H-fluoren-9-ylidene)-
CID 136564
Meso-ethylenebis(1-indenyl)zirconium(IV) dichloride
CID 16212518
Bis(indenyl)zirconium dichloride
CID 15789605
Ethylenebis(indenyl)zirconium dichloride
CID 15806102
Dichlorozirconium--1,1'-(ethane-1,2-diyl)di(1H-indene) (1/1)
CID 53486413
9H-Fluorene, 9-(1-methylethyl)-
CID 18696
9-Propyl-9H-fluorene
CID 178017
Bisindenyltitanium dichloride
CID 202571
1-Benzylideneindan
CID 6068719
9H-Fluoren-9-yllithium
CID 11789669

Frequently Asked Questions

What is the IUPAC name of benzylidenezirconium(2+);1H-inden-1-ide;5-methylcyclopenta-1,3-diene;dichloride?
The IUPAC name of benzylidenezirconium(2+);1H-inden-1-ide;5-methylcyclopenta-1,3-diene;dichloride (CID 158078499) is benzylidenezirconium(2+);1H-inden-1-ide;5-methylcyclopenta-1,3-diene;dichloride.
What is the SMILES notation for benzylidenezirconium(2+);1H-inden-1-ide;5-methylcyclopenta-1,3-diene;dichloride?
The canonical SMILES for benzylidenezirconium(2+);1H-inden-1-ide;5-methylcyclopenta-1,3-diene;dichloride is C[c-]1cccc1.[Cl-].[Cl-].[Zr+2]=Cc1ccccc1.c1ccc2[cH-]ccc2c1.
What is the InChIKey of benzylidenezirconium(2+);1H-inden-1-ide;5-methylcyclopenta-1,3-diene;dichloride?
The InChIKey is UZUGBFDJJYVAKU-UHFFFAOYSA-L. The full InChI is InChI=1S/C9H7.C7H6.C6H7.2ClH.Zr/c1-2-5-9-7-3-6-8(9)4-1;1-7-5-3-2-4-6-7;1-6-4-2-3-5-6;;;/h1-7H;1-6H;2-5H,1H3;2*1H;/q-1;;-1;;;+2/p-2.
What are the key properties of benzylidenezirconium(2+);1H-inden-1-ide;5-methylcyclopenta-1,3-diene;dichloride?
benzylidenezirconium(2+);1H-inden-1-ide;5-methylcyclopenta-1,3-diene;dichloride has a molecular weight of 446.53 g/mol, XLogP of -0.34, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzylidenezirconium(2+);1H-inden-1-ide;5-methylcyclopenta-1,3-diene;dichloride is sourced from PubChem (CID 158078499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).