dichlorozirconium;4-(2-phenylphenyl)-2-propan-2-yl-1H-inden-1-ide

C24H21Cl2Zr- — CID 87824056

IUPACdichlorozirconium;4-(2-phenylphenyl)-2-propan-2-yl-1H-inden-1-ide
SMILESCC(C)c1cc2c(-c3ccccc3-c3ccccc3)cccc2[cH-]1.Cl[Zr]Cl
InChIInChI=1S/C24H21.2ClH.Zr/c1-17(2)20-15-19-11-8-14-23(24(19)16-20)22-13-7-6-12-21(22)18-9-4-3-5-10-18;;;/h3-17H,1-2H3;2*1H;/q-1;;;+2/p-2
InChIKeyIYVRIZYLOWUQCA-UHFFFAOYSA-L
MW471.56 g/mol
LogP8.39
Rot. Bonds3

About dichlorozirconium;4-(2-phenylphenyl)-2-propan-2-yl-1H-inden-1-ide

dichlorozirconium;4-(2-phenylphenyl)-2-propan-2-yl-1H-inden-1-ide (PubChem CID 87824056) has the molecular formula C24H21Cl2Zr- and a molecular weight of 471.56 g/mol. Its IUPAC name is dichlorozirconium;4-(2-phenylphenyl)-2-propan-2-yl-1H-inden-1-ide.

Molecular Properties

Compound Namedichlorozirconium;4-(2-phenylphenyl)-2-propan-2-yl-1H-inden-1-ide
PubChem CID87824056
Molecular FormulaC24H21Cl2Zr-
Molecular Weight471.56 g/mol
Exact Mass469.01
IUPAC Namedichlorozirconium;4-(2-phenylphenyl)-2-propan-2-yl-1H-inden-1-ide
SMILESCC(C)c1cc2c(-c3ccccc3-c3ccccc3)cccc2[cH-]1.Cl[Zr]Cl
InChIInChI=1S/C24H21.2ClH.Zr/c1-17(2)20-15-19-11-8-14-23(24(19)16-20)22-13-7-6-12-21(22)18-9-4-3-5-10-18;;;/h3-17H,1-2H3;2*1H;/q-1;;;+2/p-2
InChIKeyIYVRIZYLOWUQCA-UHFFFAOYSA-L
XLogP8.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.56
LogP ≤ 58.39
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-phenylphenyl)-2,5-di(propan-2-yl)-1H-inden-1-ide
CID 87865079
dichlorozirconium;4-(2-phenylphenyl)-2-propan-2-yl-5-propyl-1H-inden-1-ide
CID 87865100
dichlorozirconium;5-(2-propan-2-yl-1H-inden-1-id-4-yl)-1,2-dihydroacenaphthylene
CID 174390138
dichlorozirconium;2-methyl-4-phenyl-1H-inden-1-ide
CID 173091185
CID 173190058
CID 173190058
CID 174645912
CID 174645912
CID 173124092
CID 173124092
CID 173190406
CID 173190406
CID 173187176
CID 173187176
CID 173027319
CID 173027319
lithium 6-methyl-4-phenyl-2-propan-2-yl-1H-inden-1-ide
CID 22023043
CID 87906242
CID 87906242

Frequently Asked Questions

What is the IUPAC name of dichlorozirconium;4-(2-phenylphenyl)-2-propan-2-yl-1H-inden-1-ide?
The IUPAC name of dichlorozirconium;4-(2-phenylphenyl)-2-propan-2-yl-1H-inden-1-ide (CID 87824056) is dichlorozirconium;4-(2-phenylphenyl)-2-propan-2-yl-1H-inden-1-ide.
What is the SMILES notation for dichlorozirconium;4-(2-phenylphenyl)-2-propan-2-yl-1H-inden-1-ide?
The canonical SMILES for dichlorozirconium;4-(2-phenylphenyl)-2-propan-2-yl-1H-inden-1-ide is CC(C)c1cc2c(-c3ccccc3-c3ccccc3)cccc2[cH-]1.Cl[Zr]Cl.
What is the InChIKey of dichlorozirconium;4-(2-phenylphenyl)-2-propan-2-yl-1H-inden-1-ide?
The InChIKey is IYVRIZYLOWUQCA-UHFFFAOYSA-L. The full InChI is InChI=1S/C24H21.2ClH.Zr/c1-17(2)20-15-19-11-8-14-23(24(19)16-20)22-13-7-6-12-21(22)18-9-4-3-5-10-18;;;/h3-17H,1-2H3;2*1H;/q-1;;;+2/p-2.
What are the key properties of dichlorozirconium;4-(2-phenylphenyl)-2-propan-2-yl-1H-inden-1-ide?
dichlorozirconium;4-(2-phenylphenyl)-2-propan-2-yl-1H-inden-1-ide has a molecular weight of 471.56 g/mol, XLogP of 8.39, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dichlorozirconium;4-(2-phenylphenyl)-2-propan-2-yl-1H-inden-1-ide is sourced from PubChem (CID 87824056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).