tetrakis(1-(2-phenyl-1H-inden-1-id-4-yl)indole);bis(zirconium(2+));dichloride

C92H64Cl2N4Zr2-2 — CID 18405942

IUPACtetrakis(1-(2-phenyl-1H-inden-1-id-4-yl)indole);bis(zirconium(2+));dichloride
SMILES[Cl-].[Cl-].[Zr+2].[Zr+2].c1ccc(-c2cc3c(-n4ccc5ccccc54)cccc3[cH-]2)cc1.c1ccc(-c2cc3c(-n4ccc5ccccc54)cccc3[cH-]2)cc1.c1ccc(-c2cc3c(-n4ccc5ccccc54)cccc3[cH-]2)cc1.c1ccc(-c2cc3c(-n4ccc5ccccc54)cccc3[cH-]2)cc1
InChIInChI=1S/4C23H16N.2ClH.2Zr/c4*1-2-7-17(8-3-1)20-15-19-10-6-12-23(21(19)16-20)24-14-13-18-9-4-5-11-22(18)24;;;;/h4*1-16H;2*1H;;/q4*-1;;;2*+2/p-2
InChIKeyRBMNNJAAXMJSJG-UHFFFAOYSA-L
MW1478.91 g/mol
LogP18.68
Rot. Bonds8

About tetrakis(1-(2-phenyl-1H-inden-1-id-4-yl)indole);bis(zirconium(2+));dichloride

tetrakis(1-(2-phenyl-1H-inden-1-id-4-yl)indole);bis(zirconium(2+));dichloride (PubChem CID 18405942) has the molecular formula C92H64Cl2N4Zr2-2 and a molecular weight of 1478.91 g/mol. Its IUPAC name is tetrakis(1-(2-phenyl-1H-inden-1-id-4-yl)indole);bis(zirconium(2+));dichloride.

Molecular Properties

Compound Nametetrakis(1-(2-phenyl-1H-inden-1-id-4-yl)indole);bis(zirconium(2+));dichloride
PubChem CID18405942
Molecular FormulaC92H64Cl2N4Zr2-2
Molecular Weight1478.91 g/mol
Exact Mass1474.26
IUPAC Nametetrakis(1-(2-phenyl-1H-inden-1-id-4-yl)indole);bis(zirconium(2+));dichloride
SMILES[Cl-].[Cl-].[Zr+2].[Zr+2].c1ccc(-c2cc3c(-n4ccc5ccccc54)cccc3[cH-]2)cc1.c1ccc(-c2cc3c(-n4ccc5ccccc54)cccc3[cH-]2)cc1.c1ccc(-c2cc3c(-n4ccc5ccccc54)cccc3[cH-]2)cc1.c1ccc(-c2cc3c(-n4ccc5ccccc54)cccc3[cH-]2)cc1
InChIInChI=1S/4C23H16N.2ClH.2Zr/c4*1-2-7-17(8-3-1)20-15-19-10-6-12-23(21(19)16-20)24-14-13-18-9-4-5-11-22(18)24;;;;/h4*1-16H;2*1H;;/q4*-1;;;2*+2/p-2
InChIKeyRBMNNJAAXMJSJG-UHFFFAOYSA-L
XLogP18.68
TPSA19.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms100
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001478.91
LogP ≤ 518.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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bis(dimethylsilylidenehafnium(2+));bis(2,4-diphenyl-1H-inden-1-ide);bis(2-methyl-4-phenyl-1H-inden-1-ide);dichloride
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Frequently Asked Questions

What is the IUPAC name of tetrakis(1-(2-phenyl-1H-inden-1-id-4-yl)indole);bis(zirconium(2+));dichloride?
The IUPAC name of tetrakis(1-(2-phenyl-1H-inden-1-id-4-yl)indole);bis(zirconium(2+));dichloride (CID 18405942) is tetrakis(1-(2-phenyl-1H-inden-1-id-4-yl)indole);bis(zirconium(2+));dichloride.
What is the SMILES notation for tetrakis(1-(2-phenyl-1H-inden-1-id-4-yl)indole);bis(zirconium(2+));dichloride?
The canonical SMILES for tetrakis(1-(2-phenyl-1H-inden-1-id-4-yl)indole);bis(zirconium(2+));dichloride is [Cl-].[Cl-].[Zr+2].[Zr+2].c1ccc(-c2cc3c(-n4ccc5ccccc54)cccc3[cH-]2)cc1.c1ccc(-c2cc3c(-n4ccc5ccccc54)cccc3[cH-]2)cc1.c1ccc(-c2cc3c(-n4ccc5ccccc54)cccc3[cH-]2)cc1.c1ccc(-c2cc3c(-n4ccc5ccccc54)cccc3[cH-]2)cc1.
What is the InChIKey of tetrakis(1-(2-phenyl-1H-inden-1-id-4-yl)indole);bis(zirconium(2+));dichloride?
The InChIKey is RBMNNJAAXMJSJG-UHFFFAOYSA-L. The full InChI is InChI=1S/4C23H16N.2ClH.2Zr/c4*1-2-7-17(8-3-1)20-15-19-10-6-12-23(21(19)16-20)24-14-13-18-9-4-5-11-22(18)24;;;;/h4*1-16H;2*1H;;/q4*-1;;;2*+2/p-2.
What are the key properties of tetrakis(1-(2-phenyl-1H-inden-1-id-4-yl)indole);bis(zirconium(2+));dichloride?
tetrakis(1-(2-phenyl-1H-inden-1-id-4-yl)indole);bis(zirconium(2+));dichloride has a molecular weight of 1478.91 g/mol, XLogP of 18.68, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(1-(2-phenyl-1H-inden-1-id-4-yl)indole);bis(zirconium(2+));dichloride is sourced from PubChem (CID 18405942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).