dichlorozirconium(2+);2-methyl-4-phenyl-1H-inden-1-ide;6-methyl-8-phenyl-1,2,3,5-tetrahydro-s-indacen-5-ide

C35H30Cl2Zr — CID 162767498

IUPACdichlorozirconium(2+);2-methyl-4-phenyl-1H-inden-1-ide;6-methyl-8-phenyl-1,2,3,5-tetrahydro-s-indacen-5-ide
SMILESCc1cc2c(-c3ccccc3)c3c(cc2[cH-]1)CCC3.Cc1cc2c(-c3ccccc3)cccc2[cH-]1.Cl[Zr+2]Cl
InChIInChI=1S/C19H17.C16H13.2ClH.Zr/c1-13-10-16-12-15-8-5-9-17(15)19(18(16)11-13)14-6-3-2-4-7-14;1-12-10-14-8-5-9-15(16(14)11-12)13-6-3-2-4-7-13;;;/h2-4,6-7,10-12H,5,8-9H2,1H3;2-11H,1H3;2*1H;/q2*-1;;;+4/p-2
InChIKeyKFVFHRYLYUSNBS-UHFFFAOYSA-L
MW612.76 g/mol
LogP10.93
Rot. Bonds2

About dichlorozirconium(2+);2-methyl-4-phenyl-1H-inden-1-ide;6-methyl-8-phenyl-1,2,3,5-tetrahydro-s-indacen-5-ide

dichlorozirconium(2+);2-methyl-4-phenyl-1H-inden-1-ide;6-methyl-8-phenyl-1,2,3,5-tetrahydro-s-indacen-5-ide (PubChem CID 162767498) has the molecular formula C35H30Cl2Zr and a molecular weight of 612.76 g/mol. Its IUPAC name is dichlorozirconium(2+);2-methyl-4-phenyl-1H-inden-1-ide;6-methyl-8-phenyl-1,2,3,5-tetrahydro-s-indacen-5-ide.

Molecular Properties

Compound Namedichlorozirconium(2+);2-methyl-4-phenyl-1H-inden-1-ide;6-methyl-8-phenyl-1,2,3,5-tetrahydro-s-indacen-5-ide
PubChem CID162767498
Molecular FormulaC35H30Cl2Zr
Molecular Weight612.76 g/mol
Exact Mass610.08
IUPAC Namedichlorozirconium(2+);2-methyl-4-phenyl-1H-inden-1-ide;6-methyl-8-phenyl-1,2,3,5-tetrahydro-s-indacen-5-ide
SMILESCc1cc2c(-c3ccccc3)c3c(cc2[cH-]1)CCC3.Cc1cc2c(-c3ccccc3)cccc2[cH-]1.Cl[Zr+2]Cl
InChIInChI=1S/C19H17.C16H13.2ClH.Zr/c1-13-10-16-12-15-8-5-9-17(15)19(18(16)11-13)14-6-3-2-4-7-14;1-12-10-14-8-5-9-15(16(14)11-12)13-6-3-2-4-7-13;;;/h2-4,6-7,10-12H,5,8-9H2,1H3;2-11H,1H3;2*1H;/q2*-1;;;+4/p-2
InChIKeyKFVFHRYLYUSNBS-UHFFFAOYSA-L
XLogP10.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500612.76
LogP ≤ 510.93
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

lithium 6-methyl-8-naphthalen-1-yl-1,2,3,5-tetrahydro-s-indacen-5-ide
CID 165376734
hafnium;2-methyl-4-phenyl-1H-inden-1-ide
CID 154081664
dichlorozirconium;2-methyl-4-phenyl-1H-inden-1-ide
CID 173091185
bis(2-methyl-4-phenyl-1H-inden-1-ide);bis(titanium(2+));dichloride
CID 22104595
CID 173284099
CID 173284099
CID 173168918
CID 173168918
CID 173281930
CID 173281930
cyclopenta-1,3-diene;2-methyl-4-phenyl-1H-inden-1-ide;zirconium(4+);dichloride
CID 160745870
4-(4-tert-butylphenyl)-2-methyl-1H-inden-1-ide;8-(4-tert-butylphenyl)-6-methyl-1,2,3,5-tetrahydro-s-indacen-5-ide;[methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silylidene]zirconium(2+);dichloride
CID 172680927
dichloro(propylidene)zirconium;bis(2-methyl-4-phenyl-1H-inden-1-ide)
CID 87925767
CID 87993698
CID 87993698
CID 173027351
CID 173027351

Frequently Asked Questions

What is the IUPAC name of dichlorozirconium(2+);2-methyl-4-phenyl-1H-inden-1-ide;6-methyl-8-phenyl-1,2,3,5-tetrahydro-s-indacen-5-ide?
The IUPAC name of dichlorozirconium(2+);2-methyl-4-phenyl-1H-inden-1-ide;6-methyl-8-phenyl-1,2,3,5-tetrahydro-s-indacen-5-ide (CID 162767498) is dichlorozirconium(2+);2-methyl-4-phenyl-1H-inden-1-ide;6-methyl-8-phenyl-1,2,3,5-tetrahydro-s-indacen-5-ide.
What is the SMILES notation for dichlorozirconium(2+);2-methyl-4-phenyl-1H-inden-1-ide;6-methyl-8-phenyl-1,2,3,5-tetrahydro-s-indacen-5-ide?
The canonical SMILES for dichlorozirconium(2+);2-methyl-4-phenyl-1H-inden-1-ide;6-methyl-8-phenyl-1,2,3,5-tetrahydro-s-indacen-5-ide is Cc1cc2c(-c3ccccc3)c3c(cc2[cH-]1)CCC3.Cc1cc2c(-c3ccccc3)cccc2[cH-]1.Cl[Zr+2]Cl.
What is the InChIKey of dichlorozirconium(2+);2-methyl-4-phenyl-1H-inden-1-ide;6-methyl-8-phenyl-1,2,3,5-tetrahydro-s-indacen-5-ide?
The InChIKey is KFVFHRYLYUSNBS-UHFFFAOYSA-L. The full InChI is InChI=1S/C19H17.C16H13.2ClH.Zr/c1-13-10-16-12-15-8-5-9-17(15)19(18(16)11-13)14-6-3-2-4-7-14;1-12-10-14-8-5-9-15(16(14)11-12)13-6-3-2-4-7-13;;;/h2-4,6-7,10-12H,5,8-9H2,1H3;2-11H,1H3;2*1H;/q2*-1;;;+4/p-2.
What are the key properties of dichlorozirconium(2+);2-methyl-4-phenyl-1H-inden-1-ide;6-methyl-8-phenyl-1,2,3,5-tetrahydro-s-indacen-5-ide?
dichlorozirconium(2+);2-methyl-4-phenyl-1H-inden-1-ide;6-methyl-8-phenyl-1,2,3,5-tetrahydro-s-indacen-5-ide has a molecular weight of 612.76 g/mol, XLogP of 10.93, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dichlorozirconium(2+);2-methyl-4-phenyl-1H-inden-1-ide;6-methyl-8-phenyl-1,2,3,5-tetrahydro-s-indacen-5-ide is sourced from PubChem (CID 162767498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).