bis(2-(7-methyl-2-propan-2-yl-1H-inden-1-id-4-yl)pyridine);bis(zirconium(2+));dichloride

C36H36Cl2N2Zr2 — CID 18938357

IUPACbis(2-(7-methyl-2-propan-2-yl-1H-inden-1-id-4-yl)pyridine);bis(zirconium(2+));dichloride
SMILESCc1ccc(-c2ccccn2)c2cc(C(C)C)[cH-]c12.Cc1ccc(-c2ccccn2)c2cc(C(C)C)[cH-]c12.[Cl-].[Cl-].[Zr+2].[Zr+2]
InChIInChI=1S/2C18H18N.2ClH.2Zr/c2*1-12(2)14-10-16-13(3)7-8-15(17(16)11-14)18-6-4-5-9-19-18;;;;/h2*4-12H,1-3H3;2*1H;;/q2*-1;;;2*+2/p-2
InChIKeyJFSCDIPNODGORE-UHFFFAOYSA-L
MW750.05 g/mol
LogP4.11
Rot. Bonds4

About bis(2-(7-methyl-2-propan-2-yl-1H-inden-1-id-4-yl)pyridine);bis(zirconium(2+));dichloride

bis(2-(7-methyl-2-propan-2-yl-1H-inden-1-id-4-yl)pyridine);bis(zirconium(2+));dichloride (PubChem CID 18938357) has the molecular formula C36H36Cl2N2Zr2 and a molecular weight of 750.05 g/mol. Its IUPAC name is bis(2-(7-methyl-2-propan-2-yl-1H-inden-1-id-4-yl)pyridine);bis(zirconium(2+));dichloride.

Molecular Properties

Compound Namebis(2-(7-methyl-2-propan-2-yl-1H-inden-1-id-4-yl)pyridine);bis(zirconium(2+));dichloride
PubChem CID18938357
Molecular FormulaC36H36Cl2N2Zr2
Molecular Weight750.05 g/mol
Exact Mass746.03
IUPAC Namebis(2-(7-methyl-2-propan-2-yl-1H-inden-1-id-4-yl)pyridine);bis(zirconium(2+));dichloride
SMILESCc1ccc(-c2ccccn2)c2cc(C(C)C)[cH-]c12.Cc1ccc(-c2ccccn2)c2cc(C(C)C)[cH-]c12.[Cl-].[Cl-].[Zr+2].[Zr+2]
InChIInChI=1S/2C18H18N.2ClH.2Zr/c2*1-12(2)14-10-16-13(3)7-8-15(17(16)11-14)18-6-4-5-9-19-18;;;;/h2*4-12H,1-3H3;2*1H;;/q2*-1;;;2*+2/p-2
InChIKeyJFSCDIPNODGORE-UHFFFAOYSA-L
XLogP4.11
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500750.05
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

dichlorozirconium;2-(7-methyl-2-phenyl-1H-inden-1-id-4-yl)pyridine
CID 173259468
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CID 87984278
2-(2,5-dimethyl-4-pyridin-2-ylphenyl)pyridine
CID 118652406
2-(2,4-dimethylphenyl)pyridine;ethane
CID 143636710
2-(2-methylphenyl)pyridine
CID 144596153
2-methyl-6-propan-2-yl-3-pyridin-2-ylpyridine
CID 134286166
2-(2-propan-2-ylphenyl)pyridine
CID 55253137
2-(4-methyl-5-phenyl-2-pyridin-2-ylphenyl)pyridine
CID 146397355
2-(4-fluoro-2-propan-2-ylphenyl)pyridine
CID 143485897
2-(2,4,6-trimethyl-3-pyridin-2-ylphenyl)pyridine
CID 140909024
bis(trimethyl-(4-pyridin-2-yl-1H-inden-1-id-2-yl)silane);bis(zirconium(2+));dichloride
CID 18938344
2-(4-methyl-2-phenylsulfanylphenyl)pyridine
CID 122394964

Frequently Asked Questions

What is the IUPAC name of bis(2-(7-methyl-2-propan-2-yl-1H-inden-1-id-4-yl)pyridine);bis(zirconium(2+));dichloride?
The IUPAC name of bis(2-(7-methyl-2-propan-2-yl-1H-inden-1-id-4-yl)pyridine);bis(zirconium(2+));dichloride (CID 18938357) is bis(2-(7-methyl-2-propan-2-yl-1H-inden-1-id-4-yl)pyridine);bis(zirconium(2+));dichloride.
What is the SMILES notation for bis(2-(7-methyl-2-propan-2-yl-1H-inden-1-id-4-yl)pyridine);bis(zirconium(2+));dichloride?
The canonical SMILES for bis(2-(7-methyl-2-propan-2-yl-1H-inden-1-id-4-yl)pyridine);bis(zirconium(2+));dichloride is Cc1ccc(-c2ccccn2)c2cc(C(C)C)[cH-]c12.Cc1ccc(-c2ccccn2)c2cc(C(C)C)[cH-]c12.[Cl-].[Cl-].[Zr+2].[Zr+2].
What is the InChIKey of bis(2-(7-methyl-2-propan-2-yl-1H-inden-1-id-4-yl)pyridine);bis(zirconium(2+));dichloride?
The InChIKey is JFSCDIPNODGORE-UHFFFAOYSA-L. The full InChI is InChI=1S/2C18H18N.2ClH.2Zr/c2*1-12(2)14-10-16-13(3)7-8-15(17(16)11-14)18-6-4-5-9-19-18;;;;/h2*4-12H,1-3H3;2*1H;;/q2*-1;;;2*+2/p-2.
What are the key properties of bis(2-(7-methyl-2-propan-2-yl-1H-inden-1-id-4-yl)pyridine);bis(zirconium(2+));dichloride?
bis(2-(7-methyl-2-propan-2-yl-1H-inden-1-id-4-yl)pyridine);bis(zirconium(2+));dichloride has a molecular weight of 750.05 g/mol, XLogP of 4.11, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-(7-methyl-2-propan-2-yl-1H-inden-1-id-4-yl)pyridine);bis(zirconium(2+));dichloride is sourced from PubChem (CID 18938357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).