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

C26H25Cl2Zr- — CID 87883986

IUPACdichlorozirconium;4-(2-methylphenyl)-2-(2-methylpropyl)-5-phenyl-1H-inden-1-ide
SMILESCc1ccccc1-c1c(-c2ccccc2)ccc2[cH-]c(CC(C)C)cc12.Cl[Zr]Cl
InChIInChI=1S/C26H25.2ClH.Zr/c1-18(2)15-20-16-22-13-14-24(21-10-5-4-6-11-21)26(25(22)17-20)23-12-8-7-9-19(23)3;;;/h4-14,16-18H,15H2,1-3H3;2*1H;/q-1;;;+2/p-2
InChIKeyLYSGQSGMCIEOON-UHFFFAOYSA-L
MW499.62 g/mol
LogP8.78
Rot. Bonds4

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

dichlorozirconium;4-(2-methylphenyl)-2-(2-methylpropyl)-5-phenyl-1H-inden-1-ide (PubChem CID 87883986) has the molecular formula C26H25Cl2Zr- and a molecular weight of 499.62 g/mol. Its IUPAC name is dichlorozirconium;4-(2-methylphenyl)-2-(2-methylpropyl)-5-phenyl-1H-inden-1-ide.

Molecular Properties

Compound Namedichlorozirconium;4-(2-methylphenyl)-2-(2-methylpropyl)-5-phenyl-1H-inden-1-ide
PubChem CID87883986
Molecular FormulaC26H25Cl2Zr-
Molecular Weight499.62 g/mol
Exact Mass497.04
IUPAC Namedichlorozirconium;4-(2-methylphenyl)-2-(2-methylpropyl)-5-phenyl-1H-inden-1-ide
SMILESCc1ccccc1-c1c(-c2ccccc2)ccc2[cH-]c(CC(C)C)cc12.Cl[Zr]Cl
InChIInChI=1S/C26H25.2ClH.Zr/c1-18(2)15-20-16-22-13-14-24(21-10-5-4-6-11-21)26(25(22)17-20)23-12-8-7-9-19(23)3;;;/h4-14,16-18H,15H2,1-3H3;2*1H;/q-1;;;+2/p-2
InChIKeyLYSGQSGMCIEOON-UHFFFAOYSA-L
XLogP8.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.62
LogP ≤ 58.78
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-ethylphenyl)-2-(2-methylpropyl)-5-phenyl-1H-inden-1-ide
CID 87883915
4-(3,5-ditert-butylphenyl)-2-(2-methylpropyl)-5-phenyl-1H-inden-1-ide;dichlorozirconium
CID 87865080
CID 173178220
CID 173178220
CID 87703697
CID 87703697
dichlorozirconium;2-methyl-1-[2-(2-methylpropyl)-1H-inden-1-id-4-yl]naphthalene
CID 174389435
CID 87703488
CID 87703488
CID 87702431
CID 87702431
2-butan-2-yl-4-(2-ethylphenyl)-5-phenyl-1H-inden-1-ide;dichlorozirconium
CID 87884117
dichlorozirconium;2-ethyl-4-phenyl-1H-inden-1-ide
CID 173177411
CID 87906247
CID 87906247
dichlorozirconium;5-methyl-4-(2-propan-2-ylphenyl)-2-propyl-1H-inden-1-ide
CID 87884080
1-(2-methylphenyl)-2-phenylnaphthalene
CID 101418577

Frequently Asked Questions

What is the IUPAC name of dichlorozirconium;4-(2-methylphenyl)-2-(2-methylpropyl)-5-phenyl-1H-inden-1-ide?
The IUPAC name of dichlorozirconium;4-(2-methylphenyl)-2-(2-methylpropyl)-5-phenyl-1H-inden-1-ide (CID 87883986) is dichlorozirconium;4-(2-methylphenyl)-2-(2-methylpropyl)-5-phenyl-1H-inden-1-ide.
What is the SMILES notation for dichlorozirconium;4-(2-methylphenyl)-2-(2-methylpropyl)-5-phenyl-1H-inden-1-ide?
The canonical SMILES for dichlorozirconium;4-(2-methylphenyl)-2-(2-methylpropyl)-5-phenyl-1H-inden-1-ide is Cc1ccccc1-c1c(-c2ccccc2)ccc2[cH-]c(CC(C)C)cc12.Cl[Zr]Cl.
What is the InChIKey of dichlorozirconium;4-(2-methylphenyl)-2-(2-methylpropyl)-5-phenyl-1H-inden-1-ide?
The InChIKey is LYSGQSGMCIEOON-UHFFFAOYSA-L. The full InChI is InChI=1S/C26H25.2ClH.Zr/c1-18(2)15-20-16-22-13-14-24(21-10-5-4-6-11-21)26(25(22)17-20)23-12-8-7-9-19(23)3;;;/h4-14,16-18H,15H2,1-3H3;2*1H;/q-1;;;+2/p-2.
What are the key properties of dichlorozirconium;4-(2-methylphenyl)-2-(2-methylpropyl)-5-phenyl-1H-inden-1-ide?
dichlorozirconium;4-(2-methylphenyl)-2-(2-methylpropyl)-5-phenyl-1H-inden-1-ide has a molecular weight of 499.62 g/mol, XLogP of 8.78, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dichlorozirconium;4-(2-methylphenyl)-2-(2-methylpropyl)-5-phenyl-1H-inden-1-ide is sourced from PubChem (CID 87883986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).