1-[1-(1H-inden-2-yl)ethyl]-2-phenyl-1H-indene;zirconium(2+);dichloride

C26H22Cl2Zr — CID 175590654

IUPAC1-[1-(1H-inden-2-yl)ethyl]-2-phenyl-1H-indene;zirconium(2+);dichloride
SMILESCC(C1=Cc2ccccc2C1)C1C(c2ccccc2)=Cc2ccccc21.[Cl-].[Cl-].[Zr+2]
InChIInChI=1S/C26H22.2ClH.Zr/c1-18(23-15-20-11-5-6-12-21(20)16-23)26-24-14-8-7-13-22(24)17-25(26)19-9-3-2-4-10-19;;;/h2-15,17-18,26H,16H2,1H3;2*1H;/q;;;+2/p-2
InChIKeyBRHMTJVLWHHPEU-UHFFFAOYSA-L
MW496.59 g/mol
LogP0.61
Rot. Bonds3

About 1-[1-(1H-inden-2-yl)ethyl]-2-phenyl-1H-indene;zirconium(2+);dichloride

1-[1-(1H-inden-2-yl)ethyl]-2-phenyl-1H-indene;zirconium(2+);dichloride (PubChem CID 175590654) has the molecular formula C26H22Cl2Zr and a molecular weight of 496.59 g/mol. Its IUPAC name is 1-[1-(1H-inden-2-yl)ethyl]-2-phenyl-1H-indene;zirconium(2+);dichloride.

Molecular Properties

Compound Name1-[1-(1H-inden-2-yl)ethyl]-2-phenyl-1H-indene;zirconium(2+);dichloride
PubChem CID175590654
Molecular FormulaC26H22Cl2Zr
Molecular Weight496.59 g/mol
Exact Mass494.01
IUPAC Name1-[1-(1H-inden-2-yl)ethyl]-2-phenyl-1H-indene;zirconium(2+);dichloride
SMILESCC(C1=Cc2ccccc2C1)C1C(c2ccccc2)=Cc2ccccc21.[Cl-].[Cl-].[Zr+2]
InChIInChI=1S/C26H22.2ClH.Zr/c1-18(23-15-20-11-5-6-12-21(20)16-23)26-24-14-8-7-13-22(24)17-25(26)19-9-3-2-4-10-19;;;/h2-15,17-18,26H,16H2,1H3;2*1H;/q;;;+2/p-2
InChIKeyBRHMTJVLWHHPEU-UHFFFAOYSA-L
XLogP0.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.59
LogP ≤ 50.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-propan-2-yl-1H-indene;toluene
CID 161490529
trimethyl-(2-phenyl-1H-inden-1-yl)silane
CID 91802110
7-phenyl-2-propan-2-yl-1H-indene
CID 23295619
(1S)-2-phenyl-1-prop-1-en-2-yl-1H-indene
CID 134964363
1-[1-(1H-inden-2-yl)propyl]-9H-fluorene;zirconium
CID 173264324
2-methyl-1H-indene;titanium(3+);trichloride
CID 157408587
2-(4-phenylphenyl)-1H-indene;zirconium
CID 174373323
5-[1-(1H-inden-2-yl)ethyl]-2-methyl-3-prop-1-en-2-yl-4,5,6,7-tetrahydro-1-benzothiophene
CID 153376939
(1S)-1-(2-methoxypropan-2-yl)-2-phenyl-1H-indene
CID 135008683
2,2-di(propan-2-yl)-1,3-dithiolane;2-(1H-inden-2-yl)propanedioic acid
CID 88641629
3-(1-cyclohexylethyl)-1,2-dihydronaphthalene
CID 20793781
bis(1-cyclopenta-1,3-dien-1-yl-2-phenyl-1H-indene);zirconium(2+)
CID 172693912

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1H-inden-2-yl)ethyl]-2-phenyl-1H-indene;zirconium(2+);dichloride?
The IUPAC name of 1-[1-(1H-inden-2-yl)ethyl]-2-phenyl-1H-indene;zirconium(2+);dichloride (CID 175590654) is 1-[1-(1H-inden-2-yl)ethyl]-2-phenyl-1H-indene;zirconium(2+);dichloride.
What is the SMILES notation for 1-[1-(1H-inden-2-yl)ethyl]-2-phenyl-1H-indene;zirconium(2+);dichloride?
The canonical SMILES for 1-[1-(1H-inden-2-yl)ethyl]-2-phenyl-1H-indene;zirconium(2+);dichloride is CC(C1=Cc2ccccc2C1)C1C(c2ccccc2)=Cc2ccccc21.[Cl-].[Cl-].[Zr+2].
What is the InChIKey of 1-[1-(1H-inden-2-yl)ethyl]-2-phenyl-1H-indene;zirconium(2+);dichloride?
The InChIKey is BRHMTJVLWHHPEU-UHFFFAOYSA-L. The full InChI is InChI=1S/C26H22.2ClH.Zr/c1-18(23-15-20-11-5-6-12-21(20)16-23)26-24-14-8-7-13-22(24)17-25(26)19-9-3-2-4-10-19;;;/h2-15,17-18,26H,16H2,1H3;2*1H;/q;;;+2/p-2.
What are the key properties of 1-[1-(1H-inden-2-yl)ethyl]-2-phenyl-1H-indene;zirconium(2+);dichloride?
1-[1-(1H-inden-2-yl)ethyl]-2-phenyl-1H-indene;zirconium(2+);dichloride has a molecular weight of 496.59 g/mol, XLogP of 0.61, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1H-inden-2-yl)ethyl]-2-phenyl-1H-indene;zirconium(2+);dichloride is sourced from PubChem (CID 175590654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).