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

C23H20ClNZr — CID 87863432

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

chloromethane;cyclopenta-1,3-diene;1-(1H-inden-1-id-2-yl)indole;zirconium(2+) (PubChem CID 87863432) has the molecular formula C23H20ClNZr and a molecular weight of 437.10 g/mol. Its IUPAC name is chloromethane;cyclopenta-1,3-diene;1-(1H-inden-1-id-2-yl)indole;zirconium(2+).

Molecular Properties

• Compound Name: chloromethane;cyclopenta-1,3-diene;1-(1H-inden-1-id-2-yl)indole;zirconium(2+)
• PubChem CID: 87863432
• Molecular Formula: C23H20ClNZr
• Molecular Weight: 437.10 g/mol
• Exact Mass: 435.03
• IUPAC Name: chloromethane;cyclopenta-1,3-diene;1-(1H-inden-1-id-2-yl)indole;zirconium(2+)
• SMILES: CCl.[C-]1=CC=CC1.[Zr+2].c1ccc2[cH-]c(-n3ccc4ccccc43)cc2c1
• InChI: InChI=1S/C17H12N.C5H5.CH3Cl.Zr/c1-2-7-15-12-16(11-14(15)6-1)18-10-9-13-5-3-4-8-17(13)18;1-2-4-5-3-1;1-2;/h1-12H;1-3H,4H2;1H3;/q2*-1;;+2
• InChIKey: RNMJUFWXPRXEFV-UHFFFAOYSA-N
• XLogP: 6.66
• TPSA: 4.93 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 1
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	437.10
LogP ≤ 5	6.66
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)indole;zirconium(2+)?

The IUPAC name of chloromethane;cyclopenta-1,3-diene;1-(1H-inden-1-id-2-yl)indole;zirconium(2+) (CID 87863432) is chloromethane;cyclopenta-1,3-diene;1-(1H-inden-1-id-2-yl)indole;zirconium(2+).

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

The canonical SMILES for chloromethane;cyclopenta-1,3-diene;1-(1H-inden-1-id-2-yl)indole;zirconium(2+) is CCl.[C-]1=CC=CC1.[Zr+2].c1ccc2[cH-]c(-n3ccc4ccccc43)cc2c1.

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

The InChIKey is RNMJUFWXPRXEFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N.C5H5.CH3Cl.Zr/c1-2-7-15-12-16(11-14(15)6-1)18-10-9-13-5-3-4-8-17(13)18;1-2-4-5-3-1;1-2;/h1-12H;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)indole;zirconium(2+)?

chloromethane;cyclopenta-1,3-diene;1-(1H-inden-1-id-2-yl)indole;zirconium(2+) has a molecular weight of 437.10 g/mol, XLogP of 6.66, 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)indole;zirconium(2+) is sourced from PubChem (CID 87863432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).