cyclopenta-1,3-diene;dichlorozirconium(2+);1-(1H-inden-1-id-2-yl)-2-methylindole

C23H19Cl2NZr — CID 154434272

IUPACcyclopenta-1,3-diene;dichlorozirconium(2+);1-(1H-inden-1-id-2-yl)-2-methylindole
SMILESCc1cc2ccccc2n1-c1cc2ccccc2[cH-]1.Cl[Zr+2]Cl.c1cc[cH-]c1
InChIInChI=1S/C18H14N.C5H5.2ClH.Zr/c1-13-10-16-8-4-5-9-18(16)19(13)17-11-14-6-2-3-7-15(14)12-17;1-2-4-5-3-1;;;/h2-12H,1H3;1-5H;2*1H;/q2*-1;;;+4/p-2
InChIKeySAIXFYQIQZLVIC-UHFFFAOYSA-L
MW471.54 g/mol
LogP7.59
Rot. Bonds1

About cyclopenta-1,3-diene;dichlorozirconium(2+);1-(1H-inden-1-id-2-yl)-2-methylindole

cyclopenta-1,3-diene;dichlorozirconium(2+);1-(1H-inden-1-id-2-yl)-2-methylindole (PubChem CID 154434272) has the molecular formula C23H19Cl2NZr and a molecular weight of 471.54 g/mol. Its IUPAC name is cyclopenta-1,3-diene;dichlorozirconium(2+);1-(1H-inden-1-id-2-yl)-2-methylindole.

Molecular Properties

Compound Namecyclopenta-1,3-diene;dichlorozirconium(2+);1-(1H-inden-1-id-2-yl)-2-methylindole
PubChem CID154434272
Molecular FormulaC23H19Cl2NZr
Molecular Weight471.54 g/mol
Exact Mass468.99
IUPAC Namecyclopenta-1,3-diene;dichlorozirconium(2+);1-(1H-inden-1-id-2-yl)-2-methylindole
SMILESCc1cc2ccccc2n1-c1cc2ccccc2[cH-]1.Cl[Zr+2]Cl.c1cc[cH-]c1
InChIInChI=1S/C18H14N.C5H5.2ClH.Zr/c1-13-10-16-8-4-5-9-18(16)19(13)17-11-14-6-2-3-7-15(14)12-17;1-2-4-5-3-1;;;/h2-12H,1H3;1-5H;2*1H;/q2*-1;;;+4/p-2
InChIKeySAIXFYQIQZLVIC-UHFFFAOYSA-L
XLogP7.59
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.54
LogP ≤ 57.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

cyclopenta-1,3-diene;dichlorotitanium;1-(1H-inden-1-id-2-yl)-2-methylindole
CID 154434301
1-(1H-inden-1-id-2-yl)-2-methylindole;5-methylcyclopenta-1,3-diene;zirconium(4+);dichloride
CID 159286685
1,5-dimethylcyclopenta-1,3-diene;1-(1H-inden-1-id-2-yl)-2-methylindole;zirconium(4+);dichloride
CID 162163813
cyclopenta-1,3-diene;difluorozirconium(2+);1-(1H-inden-1-id-2-yl)-2,3-dimethylindole
CID 154434331
1-(1H-inden-1-id-2-yl)-2-methylindole;1-(1H-inden-1-id-4-yl)pyrrole;zirconium(4+);dichloride
CID 87863565
hafnium(4+);1-(1H-inden-1-id-2-yl)-2-methylindole;9-(1H-inden-1-id-2-yl)-1,2,3,4-tetrahydrocarbazole;dichloride
CID 87862854
cyclopenta-1,3-diene;1-(1H-inden-1-id-2-yl)-2-methylindole;2-phenylethylbenzene;zirconium(2+)
CID 87863397
cyclopenta-1,3-diene;dichlorozirconium(2+);10-(1H-inden-1-id-2-yl)phenothiazine
CID 154434293
cyclopenta-1,3-diene;dichlorozirconium(2+);2-propyl-1H-inden-1-ide
CID 154426269
bis(1-(1H-inden-1-id-2-yl)-2,3-dimethylindole);titanium(4+);dichloride
CID 87862979
hafnium(4+);bis(1-(1H-inden-1-id-2-yl)-2,3-dimethylindole);dichloride
CID 87862650
cyclopenta-1,3-diene;dichlorotitanium;1-(1H-inden-1-id-2-yl)tetrazole
CID 154434312

Frequently Asked Questions

What is the IUPAC name of cyclopenta-1,3-diene;dichlorozirconium(2+);1-(1H-inden-1-id-2-yl)-2-methylindole?
The IUPAC name of cyclopenta-1,3-diene;dichlorozirconium(2+);1-(1H-inden-1-id-2-yl)-2-methylindole (CID 154434272) is cyclopenta-1,3-diene;dichlorozirconium(2+);1-(1H-inden-1-id-2-yl)-2-methylindole.
What is the SMILES notation for cyclopenta-1,3-diene;dichlorozirconium(2+);1-(1H-inden-1-id-2-yl)-2-methylindole?
The canonical SMILES for cyclopenta-1,3-diene;dichlorozirconium(2+);1-(1H-inden-1-id-2-yl)-2-methylindole is Cc1cc2ccccc2n1-c1cc2ccccc2[cH-]1.Cl[Zr+2]Cl.c1cc[cH-]c1.
What is the InChIKey of cyclopenta-1,3-diene;dichlorozirconium(2+);1-(1H-inden-1-id-2-yl)-2-methylindole?
The InChIKey is SAIXFYQIQZLVIC-UHFFFAOYSA-L. The full InChI is InChI=1S/C18H14N.C5H5.2ClH.Zr/c1-13-10-16-8-4-5-9-18(16)19(13)17-11-14-6-2-3-7-15(14)12-17;1-2-4-5-3-1;;;/h2-12H,1H3;1-5H;2*1H;/q2*-1;;;+4/p-2.
What are the key properties of cyclopenta-1,3-diene;dichlorozirconium(2+);1-(1H-inden-1-id-2-yl)-2-methylindole?
cyclopenta-1,3-diene;dichlorozirconium(2+);1-(1H-inden-1-id-2-yl)-2-methylindole has a molecular weight of 471.54 g/mol, XLogP of 7.59, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-1,3-diene;dichlorozirconium(2+);1-(1H-inden-1-id-2-yl)-2-methylindole is sourced from PubChem (CID 154434272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).