dichlorozirconium;2-(7-methyl-2-phenyl-1H-inden-1-id-4-yl)pyridine

C21H16Cl2NZr- — CID 173259468

IUPACdichlorozirconium;2-(7-methyl-2-phenyl-1H-inden-1-id-4-yl)pyridine
SMILESCc1ccc(-c2ccccn2)c2cc(-c3ccccc3)[cH-]c12.Cl[Zr]Cl
InChIInChI=1S/C21H16N.2ClH.Zr/c1-15-10-11-18(21-9-5-6-12-22-21)20-14-17(13-19(15)20)16-7-3-2-4-8-16;;;/h2-14H,1H3;2*1H;/q-1;;;+2/p-2
InChIKeySHFUKQZNBDEIGI-UHFFFAOYSA-L
MW444.50 g/mol
LogP6.97
Rot. Bonds2

About dichlorozirconium;2-(7-methyl-2-phenyl-1H-inden-1-id-4-yl)pyridine

dichlorozirconium;2-(7-methyl-2-phenyl-1H-inden-1-id-4-yl)pyridine (PubChem CID 173259468) has the molecular formula C21H16Cl2NZr- and a molecular weight of 444.50 g/mol. Its IUPAC name is dichlorozirconium;2-(7-methyl-2-phenyl-1H-inden-1-id-4-yl)pyridine.

Molecular Properties

Compound Namedichlorozirconium;2-(7-methyl-2-phenyl-1H-inden-1-id-4-yl)pyridine
PubChem CID173259468
Molecular FormulaC21H16Cl2NZr-
Molecular Weight444.50 g/mol
Exact Mass441.97
IUPAC Namedichlorozirconium;2-(7-methyl-2-phenyl-1H-inden-1-id-4-yl)pyridine
SMILESCc1ccc(-c2ccccn2)c2cc(-c3ccccc3)[cH-]c12.Cl[Zr]Cl
InChIInChI=1S/C21H16N.2ClH.Zr/c1-15-10-11-18(21-9-5-6-12-22-21)20-14-17(13-19(15)20)16-7-3-2-4-8-16;;;/h2-14H,1H3;2*1H;/q-1;;;+2/p-2
InChIKeySHFUKQZNBDEIGI-UHFFFAOYSA-L
XLogP6.97
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.50
LogP ≤ 56.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

bis(2-(7-methyl-2-propan-2-yl-1H-inden-1-id-4-yl)pyridine);bis(zirconium(2+));dichloride
CID 18938357
2-(4-methyl-5-phenyl-2-pyridin-2-ylphenyl)pyridine
CID 146397355
CID 173016312
CID 173016312
2-(4-methyl-2-phenylphenyl)pyridine
CID 20606677
2-(2,5-dimethyl-4-pyridin-2-ylphenyl)pyridine
CID 118652406
2-(4-phenyl-2-pyridin-2-ylphenyl)pyridine
CID 142417656
dimethylsilylidenezirconium(2+);bis(2-(2-phenyl-6-propyl-1H-inden-1-id-4-yl)pyridine);dichloride
CID 161008335
4,5,6,7-tetramethyl-2-phenyl-1H-inden-1-ide;zirconium
CID 174373045
2-(2,4-dimethylphenyl)pyridine;ethane
CID 143636710
dichlorozirconium;bis(2-(2,7-dimethyl-1H-inden-1-id-4-yl)naphthalene);ethane
CID 87984345
2-(2-methylphenyl)pyridine
CID 144596153
2-(2-methyl-3,4,5,6-tetraphenylphenyl)pyridine
CID 23597792

Frequently Asked Questions

What is the IUPAC name of dichlorozirconium;2-(7-methyl-2-phenyl-1H-inden-1-id-4-yl)pyridine?
The IUPAC name of dichlorozirconium;2-(7-methyl-2-phenyl-1H-inden-1-id-4-yl)pyridine (CID 173259468) is dichlorozirconium;2-(7-methyl-2-phenyl-1H-inden-1-id-4-yl)pyridine.
What is the SMILES notation for dichlorozirconium;2-(7-methyl-2-phenyl-1H-inden-1-id-4-yl)pyridine?
The canonical SMILES for dichlorozirconium;2-(7-methyl-2-phenyl-1H-inden-1-id-4-yl)pyridine is Cc1ccc(-c2ccccn2)c2cc(-c3ccccc3)[cH-]c12.Cl[Zr]Cl.
What is the InChIKey of dichlorozirconium;2-(7-methyl-2-phenyl-1H-inden-1-id-4-yl)pyridine?
The InChIKey is SHFUKQZNBDEIGI-UHFFFAOYSA-L. The full InChI is InChI=1S/C21H16N.2ClH.Zr/c1-15-10-11-18(21-9-5-6-12-22-21)20-14-17(13-19(15)20)16-7-3-2-4-8-16;;;/h2-14H,1H3;2*1H;/q-1;;;+2/p-2.
What are the key properties of dichlorozirconium;2-(7-methyl-2-phenyl-1H-inden-1-id-4-yl)pyridine?
dichlorozirconium;2-(7-methyl-2-phenyl-1H-inden-1-id-4-yl)pyridine has a molecular weight of 444.50 g/mol, XLogP of 6.97, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dichlorozirconium;2-(7-methyl-2-phenyl-1H-inden-1-id-4-yl)pyridine is sourced from PubChem (CID 173259468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).