chloromethane;cyclopenta-1,3-diene;1-(1H-inden-1-id-2-yl)-2,3-dimethylindole;zirconium(2+)

C25H24ClNZr — CID 87862624

About chloromethane;cyclopenta-1,3-diene;1-(1H-inden-1-id-2-yl)-2,3-dimethylindole;zirconium(2+)

chloromethane;cyclopenta-1,3-diene;1-(1H-inden-1-id-2-yl)-2,3-dimethylindole;zirconium(2+) (PubChem CID 87862624) has the molecular formula C25H24ClNZr and a molecular weight of 465.15 g/mol. Its IUPAC name is chloromethane;cyclopenta-1,3-diene;1-(1H-inden-1-id-2-yl)-2,3-dimethylindole;zirconium(2+).

Molecular Properties

• Compound Name: chloromethane;cyclopenta-1,3-diene;1-(1H-inden-1-id-2-yl)-2,3-dimethylindole;zirconium(2+)
• PubChem CID: 87862624
• Molecular Formula: C25H24ClNZr
• Molecular Weight: 465.15 g/mol
• Exact Mass: 463.06
• IUPAC Name: chloromethane;cyclopenta-1,3-diene;1-(1H-inden-1-id-2-yl)-2,3-dimethylindole;zirconium(2+)
• SMILES: CCl.Cc1c(C)n(-c2cc3ccccc3[cH-]2)c2ccccc12.[C-]1=CC=CC1.[Zr+2]
• InChI: InChI=1S/C19H16N.C5H5.CH3Cl.Zr/c1-13-14(2)20(19-10-6-5-9-18(13)19)17-11-15-7-3-4-8-16(15)12-17;1-2-4-5-3-1;1-2;/h3-12H,1-2H3;1-3H,4H2;1H3;/q2*-1;;+2
• InChIKey: KPMUMAABLAKGMP-UHFFFAOYSA-N
• XLogP: 7.28
• TPSA: 4.93 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 1
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	465.15
LogP ≤ 5	7.28
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of chloromethane;cyclopenta-1,3-diene;1-(1H-inden-1-id-2-yl)-2,3-dimethylindole;zirconium(2+)?

The IUPAC name of chloromethane;cyclopenta-1,3-diene;1-(1H-inden-1-id-2-yl)-2,3-dimethylindole;zirconium(2+) (CID 87862624) is chloromethane;cyclopenta-1,3-diene;1-(1H-inden-1-id-2-yl)-2,3-dimethylindole;zirconium(2+).

What is the SMILES notation for chloromethane;cyclopenta-1,3-diene;1-(1H-inden-1-id-2-yl)-2,3-dimethylindole;zirconium(2+)?

The canonical SMILES for chloromethane;cyclopenta-1,3-diene;1-(1H-inden-1-id-2-yl)-2,3-dimethylindole;zirconium(2+) is CCl.Cc1c(C)n(-c2cc3ccccc3[cH-]2)c2ccccc12.[C-]1=CC=CC1.[Zr+2].

What is the InChIKey of chloromethane;cyclopenta-1,3-diene;1-(1H-inden-1-id-2-yl)-2,3-dimethylindole;zirconium(2+)?

The InChIKey is KPMUMAABLAKGMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N.C5H5.CH3Cl.Zr/c1-13-14(2)20(19-10-6-5-9-18(13)19)17-11-15-7-3-4-8-16(15)12-17;1-2-4-5-3-1;1-2;/h3-12H,1-2H3;1-3H,4H2;1H3;/q2*-1;;+2.

What are the key properties of chloromethane;cyclopenta-1,3-diene;1-(1H-inden-1-id-2-yl)-2,3-dimethylindole;zirconium(2+)?

chloromethane;cyclopenta-1,3-diene;1-(1H-inden-1-id-2-yl)-2,3-dimethylindole;zirconium(2+) has a molecular weight of 465.15 g/mol, XLogP of 7.28, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for chloromethane;cyclopenta-1,3-diene;1-(1H-inden-1-id-2-yl)-2,3-dimethylindole;zirconium(2+) is sourced from PubChem (CID 87862624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).