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

C23H20ClNZr — CID 87863432

IUPACchloromethane;cyclopenta-1,3-diene;1-(1H-inden-1-id-2-yl)indole;zirconium(2+)
SMILESCCl.[C-]1=CC=CC1.[Zr+2].c1ccc2[cH-]c(-n3ccc4ccccc43)cc2c1
InChIInChI=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
InChIKeyRNMJUFWXPRXEFV-UHFFFAOYSA-N
MW437.10 g/mol
LogP6.66
Rot. Bonds1

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 Namechloromethane;cyclopenta-1,3-diene;1-(1H-inden-1-id-2-yl)indole;zirconium(2+)
PubChem CID87863432
Molecular FormulaC23H20ClNZr
Molecular Weight437.10 g/mol
Exact Mass435.03
IUPAC Namechloromethane;cyclopenta-1,3-diene;1-(1H-inden-1-id-2-yl)indole;zirconium(2+)
SMILESCCl.[C-]1=CC=CC1.[Zr+2].c1ccc2[cH-]c(-n3ccc4ccccc43)cc2c1
InChIInChI=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
InChIKeyRNMJUFWXPRXEFV-UHFFFAOYSA-N
XLogP6.66
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.10
LogP ≤ 56.66
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)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).