dichlorozirconium;2-ethyl-4-phenyl-1H-inden-1-ide

C17H15Cl2Zr- — CID 173177411

IUPACdichlorozirconium;2-ethyl-4-phenyl-1H-inden-1-ide
SMILESCCc1cc2c(-c3ccccc3)cccc2[cH-]1.Cl[Zr]Cl
InChIInChI=1S/C17H15.2ClH.Zr/c1-2-13-11-15-9-6-10-16(17(15)12-13)14-7-4-3-5-8-14;;;/h3-12H,2H2,1H3;2*1H;/q-1;;;+2/p-2
InChIKeyUNPVHJXDCJWRED-UHFFFAOYSA-L
MW381.44 g/mol
LogP6.16
Rot. Bonds2

About dichlorozirconium;2-ethyl-4-phenyl-1H-inden-1-ide

dichlorozirconium;2-ethyl-4-phenyl-1H-inden-1-ide (PubChem CID 173177411) has the molecular formula C17H15Cl2Zr- and a molecular weight of 381.44 g/mol. Its IUPAC name is dichlorozirconium;2-ethyl-4-phenyl-1H-inden-1-ide.

Molecular Properties

Compound Namedichlorozirconium;2-ethyl-4-phenyl-1H-inden-1-ide
PubChem CID173177411
Molecular FormulaC17H15Cl2Zr-
Molecular Weight381.44 g/mol
Exact Mass378.96
IUPAC Namedichlorozirconium;2-ethyl-4-phenyl-1H-inden-1-ide
SMILESCCc1cc2c(-c3ccccc3)cccc2[cH-]1.Cl[Zr]Cl
InChIInChI=1S/C17H15.2ClH.Zr/c1-2-13-11-15-9-6-10-16(17(15)12-13)14-7-4-3-5-8-14;;;/h3-12H,2H2,1H3;2*1H;/q-1;;;+2/p-2
InChIKeyUNPVHJXDCJWRED-UHFFFAOYSA-L
XLogP6.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.44
LogP ≤ 56.16
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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Related Compounds

tetrakis(2-ethyl-4-phenyl-1H-inden-1-ide);bis(zirconium(2+));difluoride
CID 18365664
tris(2-ethyl-4-phenyl-1H-inden-1-ide);tris(zirconium(2+));trifluoride
CID 18365661
2-ethyl-4-phenyl-1H-inden-1-ide;zirconium(3+);dichloride
CID 22485940
CID 173337910
CID 173337910
4-(4-bromophenyl)-2-ethyl-1H-inden-1-ide;dichlorozirconium
CID 174390644
CID 173313790
CID 173313790
CID 87823190
CID 87823190
carbanide;bis(2-ethyl-4-phenyl-1H-inden-1-ide);hafnium;propane
CID 173162657
dichloro(dimethylstannanylidene)zirconium;bis(2-ethyl-4-phenyl-1H-inden-1-ide)
CID 87216418
4-(4-tert-butylphenyl)-2-ethyl-1H-inden-1-ide;dichlorozirconium
CID 152758320
dichloro(ethylidene)zirconium;bis(2-ethyl-4-phenyl-1H-inden-1-ide)
CID 87216524
bis(dimethylsilylidenezirconium(2+));tetrakis(2-ethyl-4-phenyl-1H-inden-1-ide);dichloride
CID 18008267

Frequently Asked Questions

What is the IUPAC name of dichlorozirconium;2-ethyl-4-phenyl-1H-inden-1-ide?
The IUPAC name of dichlorozirconium;2-ethyl-4-phenyl-1H-inden-1-ide (CID 173177411) is dichlorozirconium;2-ethyl-4-phenyl-1H-inden-1-ide.
What is the SMILES notation for dichlorozirconium;2-ethyl-4-phenyl-1H-inden-1-ide?
The canonical SMILES for dichlorozirconium;2-ethyl-4-phenyl-1H-inden-1-ide is CCc1cc2c(-c3ccccc3)cccc2[cH-]1.Cl[Zr]Cl.
What is the InChIKey of dichlorozirconium;2-ethyl-4-phenyl-1H-inden-1-ide?
The InChIKey is UNPVHJXDCJWRED-UHFFFAOYSA-L. The full InChI is InChI=1S/C17H15.2ClH.Zr/c1-2-13-11-15-9-6-10-16(17(15)12-13)14-7-4-3-5-8-14;;;/h3-12H,2H2,1H3;2*1H;/q-1;;;+2/p-2.
What are the key properties of dichlorozirconium;2-ethyl-4-phenyl-1H-inden-1-ide?
dichlorozirconium;2-ethyl-4-phenyl-1H-inden-1-ide has a molecular weight of 381.44 g/mol, XLogP of 6.16, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dichlorozirconium;2-ethyl-4-phenyl-1H-inden-1-ide is sourced from PubChem (CID 173177411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).