dichlorozirconium;4-(2-ethylphenyl)-2-(2-methylpropyl)-5-phenyl-1H-inden-1-ide

C27H27Cl2Zr- — CID 87883915

IUPACdichlorozirconium;4-(2-ethylphenyl)-2-(2-methylpropyl)-5-phenyl-1H-inden-1-ide
SMILESCCc1ccccc1-c1c(-c2ccccc2)ccc2[cH-]c(CC(C)C)cc12.Cl[Zr]Cl
InChIInChI=1S/C27H27.2ClH.Zr/c1-4-21-10-8-9-13-24(21)27-25(22-11-6-5-7-12-22)15-14-23-17-20(16-19(2)3)18-26(23)27;;;/h5-15,17-19H,4,16H2,1-3H3;2*1H;/q-1;;;+2/p-2
InChIKeyBOWNHRFDYKFANA-UHFFFAOYSA-L
MW513.64 g/mol
LogP9.03
Rot. Bonds5

About dichlorozirconium;4-(2-ethylphenyl)-2-(2-methylpropyl)-5-phenyl-1H-inden-1-ide

dichlorozirconium;4-(2-ethylphenyl)-2-(2-methylpropyl)-5-phenyl-1H-inden-1-ide (PubChem CID 87883915) has the molecular formula C27H27Cl2Zr- and a molecular weight of 513.64 g/mol. Its IUPAC name is dichlorozirconium;4-(2-ethylphenyl)-2-(2-methylpropyl)-5-phenyl-1H-inden-1-ide.

Molecular Properties

Compound Namedichlorozirconium;4-(2-ethylphenyl)-2-(2-methylpropyl)-5-phenyl-1H-inden-1-ide
PubChem CID87883915
Molecular FormulaC27H27Cl2Zr-
Molecular Weight513.64 g/mol
Exact Mass511.05
IUPAC Namedichlorozirconium;4-(2-ethylphenyl)-2-(2-methylpropyl)-5-phenyl-1H-inden-1-ide
SMILESCCc1ccccc1-c1c(-c2ccccc2)ccc2[cH-]c(CC(C)C)cc12.Cl[Zr]Cl
InChIInChI=1S/C27H27.2ClH.Zr/c1-4-21-10-8-9-13-24(21)27-25(22-11-6-5-7-12-22)15-14-23-17-20(16-19(2)3)18-26(23)27;;;/h5-15,17-19H,4,16H2,1-3H3;2*1H;/q-1;;;+2/p-2
InChIKeyBOWNHRFDYKFANA-UHFFFAOYSA-L
XLogP9.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.64
LogP ≤ 59.03
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

dichlorozirconium;4-(2-methylphenyl)-2-(2-methylpropyl)-5-phenyl-1H-inden-1-ide
CID 87883986
2-butan-2-yl-4-(2-ethylphenyl)-5-phenyl-1H-inden-1-ide;dichlorozirconium
CID 87884117
4-(3,5-ditert-butylphenyl)-2-(2-methylpropyl)-5-phenyl-1H-inden-1-ide;dichlorozirconium
CID 87865080
CID 173178220
CID 173178220
CID 173178428
CID 173178428
dichlorozirconium;2-ethyl-4-phenyl-1H-inden-1-ide
CID 173177411
CID 173178223
CID 173178223
dichlorozirconium;4-(2-ethylphenyl)-2-propan-2-yl-5-propyl-1H-inden-1-ide
CID 87883960
CID 173178182
CID 173178182
dichlorozirconium;2-methyl-1-[2-(2-methylpropyl)-1H-inden-1-id-4-yl]naphthalene
CID 174389435
CID 87703697
CID 87703697
dichlorozirconium;5-ethyl-4-(2-propan-2-ylphenyl)-2-propyl-1H-inden-1-ide
CID 87884069

Frequently Asked Questions

What is the IUPAC name of dichlorozirconium;4-(2-ethylphenyl)-2-(2-methylpropyl)-5-phenyl-1H-inden-1-ide?
The IUPAC name of dichlorozirconium;4-(2-ethylphenyl)-2-(2-methylpropyl)-5-phenyl-1H-inden-1-ide (CID 87883915) is dichlorozirconium;4-(2-ethylphenyl)-2-(2-methylpropyl)-5-phenyl-1H-inden-1-ide.
What is the SMILES notation for dichlorozirconium;4-(2-ethylphenyl)-2-(2-methylpropyl)-5-phenyl-1H-inden-1-ide?
The canonical SMILES for dichlorozirconium;4-(2-ethylphenyl)-2-(2-methylpropyl)-5-phenyl-1H-inden-1-ide is CCc1ccccc1-c1c(-c2ccccc2)ccc2[cH-]c(CC(C)C)cc12.Cl[Zr]Cl.
What is the InChIKey of dichlorozirconium;4-(2-ethylphenyl)-2-(2-methylpropyl)-5-phenyl-1H-inden-1-ide?
The InChIKey is BOWNHRFDYKFANA-UHFFFAOYSA-L. The full InChI is InChI=1S/C27H27.2ClH.Zr/c1-4-21-10-8-9-13-24(21)27-25(22-11-6-5-7-12-22)15-14-23-17-20(16-19(2)3)18-26(23)27;;;/h5-15,17-19H,4,16H2,1-3H3;2*1H;/q-1;;;+2/p-2.
What are the key properties of dichlorozirconium;4-(2-ethylphenyl)-2-(2-methylpropyl)-5-phenyl-1H-inden-1-ide?
dichlorozirconium;4-(2-ethylphenyl)-2-(2-methylpropyl)-5-phenyl-1H-inden-1-ide has a molecular weight of 513.64 g/mol, XLogP of 9.03, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dichlorozirconium;4-(2-ethylphenyl)-2-(2-methylpropyl)-5-phenyl-1H-inden-1-ide is sourced from PubChem (CID 87883915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).