1-(1H-inden-1-id-2-yl)pyrrole;1,2,3,5-tetramethylcyclopenta-1,3-diene;zirconium(4+);dichloride

C22H23Cl2NZr — CID 160693315

IUPAC1-(1H-inden-1-id-2-yl)pyrrole;1,2,3,5-tetramethylcyclopenta-1,3-diene;zirconium(4+);dichloride
SMILESCc1c[c-](C)c(C)c1C.[Cl-].[Cl-].[Zr+4].c1ccc2[cH-]c(-n3cccc3)cc2c1
InChIInChI=1S/C13H10N.C9H13.2ClH.Zr/c1-2-6-12-10-13(9-11(12)5-1)14-7-3-4-8-14;1-6-5-7(2)9(4)8(6)3;;;/h1-10H;5H,1-4H3;2*1H;/q2*-1;;;+4/p-2
InChIKeySNVFROVOFRENRG-UHFFFAOYSA-L
MW463.56 g/mol
LogP-0.01
Rot. Bonds1

About 1-(1H-inden-1-id-2-yl)pyrrole;1,2,3,5-tetramethylcyclopenta-1,3-diene;zirconium(4+);dichloride

1-(1H-inden-1-id-2-yl)pyrrole;1,2,3,5-tetramethylcyclopenta-1,3-diene;zirconium(4+);dichloride (PubChem CID 160693315) has the molecular formula C22H23Cl2NZr and a molecular weight of 463.56 g/mol. Its IUPAC name is 1-(1H-inden-1-id-2-yl)pyrrole;1,2,3,5-tetramethylcyclopenta-1,3-diene;zirconium(4+);dichloride.

Molecular Properties

Compound Name1-(1H-inden-1-id-2-yl)pyrrole;1,2,3,5-tetramethylcyclopenta-1,3-diene;zirconium(4+);dichloride
PubChem CID160693315
Molecular FormulaC22H23Cl2NZr
Molecular Weight463.56 g/mol
Exact Mass461.03
IUPAC Name1-(1H-inden-1-id-2-yl)pyrrole;1,2,3,5-tetramethylcyclopenta-1,3-diene;zirconium(4+);dichloride
SMILESCc1c[c-](C)c(C)c1C.[Cl-].[Cl-].[Zr+4].c1ccc2[cH-]c(-n3cccc3)cc2c1
InChIInChI=1S/C13H10N.C9H13.2ClH.Zr/c1-2-6-12-10-13(9-11(12)5-1)14-7-3-4-8-14;1-6-5-7(2)9(4)8(6)3;;;/h1-10H;5H,1-4H3;2*1H;/q2*-1;;;+4/p-2
InChIKeySNVFROVOFRENRG-UHFFFAOYSA-L
XLogP-0.01
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.56
LogP ≤ 5-0.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze 1-(1H-inden-1-id-2-yl)pyrrole;1,2,3,5-tetramethylcyclopenta-1,3-diene;zirconium(4+);dichloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(1H-inden-1-id-2-yl)tetrazole;1,2,3,5-tetramethylcyclopenta-1,3-diene;zirconium(4+);dichloride
CID 157468441
ethylidenetitanium(2+);1H-inden-1-ide;1,2,3,5-tetramethylcyclopenta-1,3-diene;dichloride
CID 158696058
1-(1H-inden-1-id-2-yl)pyrrole;2-propylcyclopenta-1,3-diene;zirconium(4+);dichloride
CID 87862557
2,3-dimethylcyclopenta-1,3-diene;1-(1H-inden-1-id-2-yl)pyrrole;2-phenylethylbenzene;zirconium(2+)
CID 87863236
1,5-dimethylcyclopenta-1,3-diene;1-(1H-inden-1-id-2-yl)-2-methylindole;zirconium(4+);dichloride
CID 162163813
carbanide;1,2,3,5-tetramethylcyclopenta-1,3-diene;titanium(4+);dichloride
CID 87907692
3-phenyl-1H-inden-1-ide;1,2,3,5-tetramethylcyclopenta-1,3-diene;zirconium(4+);dichloride
CID 175756719
1-(1H-inden-1-id-2-yl)-2-methylindole;5-methylcyclopenta-1,3-diene;zirconium(4+);dichloride
CID 159286685
2-methyl-1H-inden-1-ide;1,2,3,4,5-pentamethylcyclopenta-1,3-diene;zirconium(4+);diiodide
CID 172756825
5-butylcyclopenta-1,3-diene;1-(1H-inden-1-id-2-yl)imidazole;zirconium(4+);dichloride
CID 161377667
1-(1H-inden-1-id-2-yl)-2-methylindole;1-(1H-inden-1-id-4-yl)pyrrole;zirconium(4+);dichloride
CID 87863565
2-butyl-1H-inden-1-ide;1,2,3,4,5-pentamethylcyclopenta-1,3-diene;zirconium(4+);dichloride
CID 172730599

Frequently Asked Questions

What is the IUPAC name of 1-(1H-inden-1-id-2-yl)pyrrole;1,2,3,5-tetramethylcyclopenta-1,3-diene;zirconium(4+);dichloride?
The IUPAC name of 1-(1H-inden-1-id-2-yl)pyrrole;1,2,3,5-tetramethylcyclopenta-1,3-diene;zirconium(4+);dichloride (CID 160693315) is 1-(1H-inden-1-id-2-yl)pyrrole;1,2,3,5-tetramethylcyclopenta-1,3-diene;zirconium(4+);dichloride.
What is the SMILES notation for 1-(1H-inden-1-id-2-yl)pyrrole;1,2,3,5-tetramethylcyclopenta-1,3-diene;zirconium(4+);dichloride?
The canonical SMILES for 1-(1H-inden-1-id-2-yl)pyrrole;1,2,3,5-tetramethylcyclopenta-1,3-diene;zirconium(4+);dichloride is Cc1c[c-](C)c(C)c1C.[Cl-].[Cl-].[Zr+4].c1ccc2[cH-]c(-n3cccc3)cc2c1.
What is the InChIKey of 1-(1H-inden-1-id-2-yl)pyrrole;1,2,3,5-tetramethylcyclopenta-1,3-diene;zirconium(4+);dichloride?
The InChIKey is SNVFROVOFRENRG-UHFFFAOYSA-L. The full InChI is InChI=1S/C13H10N.C9H13.2ClH.Zr/c1-2-6-12-10-13(9-11(12)5-1)14-7-3-4-8-14;1-6-5-7(2)9(4)8(6)3;;;/h1-10H;5H,1-4H3;2*1H;/q2*-1;;;+4/p-2.
What are the key properties of 1-(1H-inden-1-id-2-yl)pyrrole;1,2,3,5-tetramethylcyclopenta-1,3-diene;zirconium(4+);dichloride?
1-(1H-inden-1-id-2-yl)pyrrole;1,2,3,5-tetramethylcyclopenta-1,3-diene;zirconium(4+);dichloride has a molecular weight of 463.56 g/mol, XLogP of -0.01, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-inden-1-id-2-yl)pyrrole;1,2,3,5-tetramethylcyclopenta-1,3-diene;zirconium(4+);dichloride is sourced from PubChem (CID 160693315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).