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

C25H24ClNZr — CID 87862624

IUPACchloromethane;cyclopenta-1,3-diene;1-(1H-inden-1-id-2-yl)-2,3-dimethylindole;zirconium(2+)
SMILESCCl.Cc1c(C)n(-c2cc3ccccc3[cH-]2)c2ccccc12.[C-]1=CC=CC1.[Zr+2]
InChIInChI=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
InChIKeyKPMUMAABLAKGMP-UHFFFAOYSA-N
MW465.15 g/mol
LogP7.28
Rot. Bonds1

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 Namechloromethane;cyclopenta-1,3-diene;1-(1H-inden-1-id-2-yl)-2,3-dimethylindole;zirconium(2+)
PubChem CID87862624
Molecular FormulaC25H24ClNZr
Molecular Weight465.15 g/mol
Exact Mass463.06
IUPAC Namechloromethane;cyclopenta-1,3-diene;1-(1H-inden-1-id-2-yl)-2,3-dimethylindole;zirconium(2+)
SMILESCCl.Cc1c(C)n(-c2cc3ccccc3[cH-]2)c2ccccc12.[C-]1=CC=CC1.[Zr+2]
InChIInChI=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
InChIKeyKPMUMAABLAKGMP-UHFFFAOYSA-N
XLogP7.28
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.15
LogP ≤ 57.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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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).