dichlorozirconium;4-(3,5-dimethylphenyl)-2,5-dipropyl-1H-inden-1-ide

C23H27Cl2Zr- — CID 87884251

IUPACdichlorozirconium;4-(3,5-dimethylphenyl)-2,5-dipropyl-1H-inden-1-ide
SMILESCCCc1cc2c(-c3cc(C)cc(C)c3)c(CCC)ccc2[cH-]1.Cl[Zr]Cl
InChIInChI=1S/C23H27.2ClH.Zr/c1-5-7-18-14-20-10-9-19(8-6-2)23(22(20)15-18)21-12-16(3)11-17(4)13-21;;;/h9-15H,5-8H2,1-4H3;2*1H;/q-1;;;+2/p-2
InChIKeyARFYPSSHHDFYLN-UHFFFAOYSA-L
MW465.60 g/mol
LogP8.12
Rot. Bonds5

About dichlorozirconium;4-(3,5-dimethylphenyl)-2,5-dipropyl-1H-inden-1-ide

dichlorozirconium;4-(3,5-dimethylphenyl)-2,5-dipropyl-1H-inden-1-ide (PubChem CID 87884251) has the molecular formula C23H27Cl2Zr- and a molecular weight of 465.60 g/mol. Its IUPAC name is dichlorozirconium;4-(3,5-dimethylphenyl)-2,5-dipropyl-1H-inden-1-ide.

Molecular Properties

Compound Namedichlorozirconium;4-(3,5-dimethylphenyl)-2,5-dipropyl-1H-inden-1-ide
PubChem CID87884251
Molecular FormulaC23H27Cl2Zr-
Molecular Weight465.60 g/mol
Exact Mass463.05
IUPAC Namedichlorozirconium;4-(3,5-dimethylphenyl)-2,5-dipropyl-1H-inden-1-ide
SMILESCCCc1cc2c(-c3cc(C)cc(C)c3)c(CCC)ccc2[cH-]1.Cl[Zr]Cl
InChIInChI=1S/C23H27.2ClH.Zr/c1-5-7-18-14-20-10-9-19(8-6-2)23(22(20)15-18)21-12-16(3)11-17(4)13-21;;;/h9-15H,5-8H2,1-4H3;2*1H;/q-1;;;+2/p-2
InChIKeyARFYPSSHHDFYLN-UHFFFAOYSA-L
XLogP8.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.60
LogP ≤ 58.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dichlorozirconium;4-(3,5-dimethylphenyl)-2,5-dipropyl-1H-inden-1-ide?
The IUPAC name of dichlorozirconium;4-(3,5-dimethylphenyl)-2,5-dipropyl-1H-inden-1-ide (CID 87884251) is dichlorozirconium;4-(3,5-dimethylphenyl)-2,5-dipropyl-1H-inden-1-ide.
What is the SMILES notation for dichlorozirconium;4-(3,5-dimethylphenyl)-2,5-dipropyl-1H-inden-1-ide?
The canonical SMILES for dichlorozirconium;4-(3,5-dimethylphenyl)-2,5-dipropyl-1H-inden-1-ide is CCCc1cc2c(-c3cc(C)cc(C)c3)c(CCC)ccc2[cH-]1.Cl[Zr]Cl.
What is the InChIKey of dichlorozirconium;4-(3,5-dimethylphenyl)-2,5-dipropyl-1H-inden-1-ide?
The InChIKey is ARFYPSSHHDFYLN-UHFFFAOYSA-L. The full InChI is InChI=1S/C23H27.2ClH.Zr/c1-5-7-18-14-20-10-9-19(8-6-2)23(22(20)15-18)21-12-16(3)11-17(4)13-21;;;/h9-15H,5-8H2,1-4H3;2*1H;/q-1;;;+2/p-2.
What are the key properties of dichlorozirconium;4-(3,5-dimethylphenyl)-2,5-dipropyl-1H-inden-1-ide?
dichlorozirconium;4-(3,5-dimethylphenyl)-2,5-dipropyl-1H-inden-1-ide has a molecular weight of 465.60 g/mol, XLogP of 8.12, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dichlorozirconium;4-(3,5-dimethylphenyl)-2,5-dipropyl-1H-inden-1-ide is sourced from PubChem (CID 87884251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).