2-cyclohexyl-1-(1,2-dihydroinden-2-id-1-yl)-1H-indene;zirconium(3+);dichloride

C24H23Cl2Zr — CID 160521907

IUPAC2-cyclohexyl-1-(1,2-dihydroinden-2-id-1-yl)-1H-indene;zirconium(3+);dichloride
SMILES[C-]1=Cc2ccccc2C1C1C(C2CCCCC2)=Cc2ccccc21.[Cl-].[Cl-].[Zr+3]
InChIInChI=1S/C24H23.2ClH.Zr/c1-2-8-17(9-3-1)23-16-19-11-5-7-13-21(19)24(23)22-15-14-18-10-4-6-12-20(18)22;;;/h4-7,10-14,16-17,22,24H,1-3,8-9H2;2*1H;/q-1;;;+3/p-2
InChIKeyVIPUIEZRCUDOKB-UHFFFAOYSA-L
MW473.58 g/mol
LogP0.37
Rot. Bonds2

About 2-cyclohexyl-1-(1,2-dihydroinden-2-id-1-yl)-1H-indene;zirconium(3+);dichloride

2-cyclohexyl-1-(1,2-dihydroinden-2-id-1-yl)-1H-indene;zirconium(3+);dichloride (PubChem CID 160521907) has the molecular formula C24H23Cl2Zr and a molecular weight of 473.58 g/mol. Its IUPAC name is 2-cyclohexyl-1-(1,2-dihydroinden-2-id-1-yl)-1H-indene;zirconium(3+);dichloride.

Molecular Properties

Compound Name2-cyclohexyl-1-(1,2-dihydroinden-2-id-1-yl)-1H-indene;zirconium(3+);dichloride
PubChem CID160521907
Molecular FormulaC24H23Cl2Zr
Molecular Weight473.58 g/mol
Exact Mass471.02
IUPAC Name2-cyclohexyl-1-(1,2-dihydroinden-2-id-1-yl)-1H-indene;zirconium(3+);dichloride
SMILES[C-]1=Cc2ccccc2C1C1C(C2CCCCC2)=Cc2ccccc21.[Cl-].[Cl-].[Zr+3]
InChIInChI=1S/C24H23.2ClH.Zr/c1-2-8-17(9-3-1)23-16-19-11-5-7-13-21(19)24(23)22-15-14-18-10-4-6-12-20(18)22;;;/h4-7,10-14,16-17,22,24H,1-3,8-9H2;2*1H;/q-1;;;+3/p-2
InChIKeyVIPUIEZRCUDOKB-UHFFFAOYSA-L
XLogP0.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.58
LogP ≤ 50.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze 2-cyclohexyl-1-(1,2-dihydroinden-2-id-1-yl)-1H-indene;zirconium(3+);dichloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-cyclohexyl-1-(1,2-dihydroinden-2-id-1-yl)-1H-indene;dimethylsilylidenezirconium(2+);dichloride
CID 160917637
1-cyclohexyl-1,2-dihydroinden-2-ide;cyclopenta-1,3-diene;hafnium(4+);dichloride
CID 160866287
2-cyclohexyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene
CID 134854212
1-cyclohexyl-2-ethyl-1H-indene
CID 173422098
1-propyl-1,2-dihydroinden-2-ide;titanium(3+);dichloride
CID 174711446
dimethylsilylidenezirconium(2+);bis(1-ethyl-1,2-dihydroinden-2-ide);dichloride
CID 161008960
2-cyclododecylphenol
CID 22381643
tricyclo[18.7.0.021,26]heptacosa-1(27),21,23,25-tetraene
CID 173141382
5,6,7,8,9,10,11,12,13,14-decahydro-4bH-cyclododeca[a]indene
CID 91054217
CID 68872144
CID 68872144
1-cyclohexyl-2-fluorobenzene;1,3-difluorobenzene
CID 174812283
1-[6-(2-amino-1H-inden-1-yl)-2-bicyclo[2.2.1]heptanyl]-1H-inden-2-amine
CID 151384354

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-1-(1,2-dihydroinden-2-id-1-yl)-1H-indene;zirconium(3+);dichloride?
The IUPAC name of 2-cyclohexyl-1-(1,2-dihydroinden-2-id-1-yl)-1H-indene;zirconium(3+);dichloride (CID 160521907) is 2-cyclohexyl-1-(1,2-dihydroinden-2-id-1-yl)-1H-indene;zirconium(3+);dichloride.
What is the SMILES notation for 2-cyclohexyl-1-(1,2-dihydroinden-2-id-1-yl)-1H-indene;zirconium(3+);dichloride?
The canonical SMILES for 2-cyclohexyl-1-(1,2-dihydroinden-2-id-1-yl)-1H-indene;zirconium(3+);dichloride is [C-]1=Cc2ccccc2C1C1C(C2CCCCC2)=Cc2ccccc21.[Cl-].[Cl-].[Zr+3].
What is the InChIKey of 2-cyclohexyl-1-(1,2-dihydroinden-2-id-1-yl)-1H-indene;zirconium(3+);dichloride?
The InChIKey is VIPUIEZRCUDOKB-UHFFFAOYSA-L. The full InChI is InChI=1S/C24H23.2ClH.Zr/c1-2-8-17(9-3-1)23-16-19-11-5-7-13-21(19)24(23)22-15-14-18-10-4-6-12-20(18)22;;;/h4-7,10-14,16-17,22,24H,1-3,8-9H2;2*1H;/q-1;;;+3/p-2.
What are the key properties of 2-cyclohexyl-1-(1,2-dihydroinden-2-id-1-yl)-1H-indene;zirconium(3+);dichloride?
2-cyclohexyl-1-(1,2-dihydroinden-2-id-1-yl)-1H-indene;zirconium(3+);dichloride has a molecular weight of 473.58 g/mol, XLogP of 0.37, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1-(1,2-dihydroinden-2-id-1-yl)-1H-indene;zirconium(3+);dichloride is sourced from PubChem (CID 160521907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).