dichlorozirconium;2-methyl-1-[2-(2-methylpropyl)-1H-inden-1-id-4-yl]naphthalene

C24H23Cl2Zr- — CID 174389435

IUPACdichlorozirconium;2-methyl-1-[2-(2-methylpropyl)-1H-inden-1-id-4-yl]naphthalene
SMILESCc1ccc2ccccc2c1-c1cccc2[cH-]c(CC(C)C)cc12.Cl[Zr]Cl
InChIInChI=1S/C24H23.2ClH.Zr/c1-16(2)13-18-14-20-8-6-10-22(23(20)15-18)24-17(3)11-12-19-7-4-5-9-21(19)24;;;/h4-12,14-16H,13H2,1-3H3;2*1H;/q-1;;;+2/p-2
InChIKeyYKTUOEYLXAFWNF-UHFFFAOYSA-L
MW473.58 g/mol
LogP8.26
Rot. Bonds3

About dichlorozirconium;2-methyl-1-[2-(2-methylpropyl)-1H-inden-1-id-4-yl]naphthalene

dichlorozirconium;2-methyl-1-[2-(2-methylpropyl)-1H-inden-1-id-4-yl]naphthalene (PubChem CID 174389435) has the molecular formula C24H23Cl2Zr- and a molecular weight of 473.58 g/mol. Its IUPAC name is dichlorozirconium;2-methyl-1-[2-(2-methylpropyl)-1H-inden-1-id-4-yl]naphthalene.

Molecular Properties

Compound Namedichlorozirconium;2-methyl-1-[2-(2-methylpropyl)-1H-inden-1-id-4-yl]naphthalene
PubChem CID174389435
Molecular FormulaC24H23Cl2Zr-
Molecular Weight473.58 g/mol
Exact Mass471.02
IUPAC Namedichlorozirconium;2-methyl-1-[2-(2-methylpropyl)-1H-inden-1-id-4-yl]naphthalene
SMILESCc1ccc2ccccc2c1-c1cccc2[cH-]c(CC(C)C)cc12.Cl[Zr]Cl
InChIInChI=1S/C24H23.2ClH.Zr/c1-16(2)13-18-14-20-8-6-10-22(23(20)15-18)24-17(3)11-12-19-7-4-5-9-21(19)24;;;/h4-12,14-16H,13H2,1-3H3;2*1H;/q-1;;;+2/p-2
InChIKeyYKTUOEYLXAFWNF-UHFFFAOYSA-L
XLogP8.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.58
LogP ≤ 58.26
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

dimethylsilylidenezirconium(2+);bis(1-[2-(2-methylpropyl)-1H-inden-1-id-4-yl]naphthalene);dichloride
CID 173142018
dimethylsilylidenezirconium(2+);bis(2-methyl-1-(2-propyl-1H-inden-1-id-4-yl)naphthalene);dichloride
CID 173141968
dichlorozirconium;4-(2-methylphenyl)-2-(2-methylpropyl)-5-phenyl-1H-inden-1-ide
CID 87883986
dichlorozirconium;5-methyl-4-(2-propan-2-ylphenyl)-2-propyl-1H-inden-1-ide
CID 87884080
CID 87906247
CID 87906247
CID 87703697
CID 87703697
dichlorozirconium;4-(2-ethylphenyl)-2-(2-methylpropyl)-5-phenyl-1H-inden-1-ide
CID 87883915
CID 87703488
CID 87703488
1,10-bis(2-methylnaphthalen-1-yl)anthracene
CID 123816307
CID 87906228
CID 87906228
CID 173190042
CID 173190042
bis(9-(2-ethyl-1H-inden-1-id-4-yl)anthracene);hafnium(4+);propane;dihydrochloride
CID 87960958

Frequently Asked Questions

What is the IUPAC name of dichlorozirconium;2-methyl-1-[2-(2-methylpropyl)-1H-inden-1-id-4-yl]naphthalene?
The IUPAC name of dichlorozirconium;2-methyl-1-[2-(2-methylpropyl)-1H-inden-1-id-4-yl]naphthalene (CID 174389435) is dichlorozirconium;2-methyl-1-[2-(2-methylpropyl)-1H-inden-1-id-4-yl]naphthalene.
What is the SMILES notation for dichlorozirconium;2-methyl-1-[2-(2-methylpropyl)-1H-inden-1-id-4-yl]naphthalene?
The canonical SMILES for dichlorozirconium;2-methyl-1-[2-(2-methylpropyl)-1H-inden-1-id-4-yl]naphthalene is Cc1ccc2ccccc2c1-c1cccc2[cH-]c(CC(C)C)cc12.Cl[Zr]Cl.
What is the InChIKey of dichlorozirconium;2-methyl-1-[2-(2-methylpropyl)-1H-inden-1-id-4-yl]naphthalene?
The InChIKey is YKTUOEYLXAFWNF-UHFFFAOYSA-L. The full InChI is InChI=1S/C24H23.2ClH.Zr/c1-16(2)13-18-14-20-8-6-10-22(23(20)15-18)24-17(3)11-12-19-7-4-5-9-21(19)24;;;/h4-12,14-16H,13H2,1-3H3;2*1H;/q-1;;;+2/p-2.
What are the key properties of dichlorozirconium;2-methyl-1-[2-(2-methylpropyl)-1H-inden-1-id-4-yl]naphthalene?
dichlorozirconium;2-methyl-1-[2-(2-methylpropyl)-1H-inden-1-id-4-yl]naphthalene has a molecular weight of 473.58 g/mol, XLogP of 8.26, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dichlorozirconium;2-methyl-1-[2-(2-methylpropyl)-1H-inden-1-id-4-yl]naphthalene is sourced from PubChem (CID 174389435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).