1,9-dihydrofluoren-1-ide;dimethylsilylidenezirconium(2+);3-(2-methyl-1H-inden-1-id-4-yl)quinoline;dichloride

C34H29Cl2NSiZr-2 — CID 161375095

IUPAC1,9-dihydrofluoren-1-ide;dimethylsilylidenezirconium(2+);3-(2-methyl-1H-inden-1-id-4-yl)quinoline;dichloride
SMILESC[Si](C)=[Zr+2].Cc1cc2c(-c3cnc4ccccc4c3)cccc2[cH-]1.[Cl-].[Cl-].[c-]1cccc2c1Cc1ccccc1-2
InChIInChI=1S/C19H14N.C13H9.C2H6Si.2ClH.Zr/c1-13-9-14-6-4-7-17(18(14)10-13)16-11-15-5-2-3-8-19(15)20-12-16;1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-3-2;;;/h2-12H,1H3;1-5,7-8H,9H2;1-2H3;2*1H;/q2*-1;;;;+2/p-2
InChIKeyJNUKFEUVALJSRS-UHFFFAOYSA-L
MW641.83 g/mol
LogP2.93
Rot. Bonds1

About 1,9-dihydrofluoren-1-ide;dimethylsilylidenezirconium(2+);3-(2-methyl-1H-inden-1-id-4-yl)quinoline;dichloride

1,9-dihydrofluoren-1-ide;dimethylsilylidenezirconium(2+);3-(2-methyl-1H-inden-1-id-4-yl)quinoline;dichloride (PubChem CID 161375095) has the molecular formula C34H29Cl2NSiZr-2 and a molecular weight of 641.83 g/mol. Its IUPAC name is 1,9-dihydrofluoren-1-ide;dimethylsilylidenezirconium(2+);3-(2-methyl-1H-inden-1-id-4-yl)quinoline;dichloride.

Molecular Properties

Compound Name1,9-dihydrofluoren-1-ide;dimethylsilylidenezirconium(2+);3-(2-methyl-1H-inden-1-id-4-yl)quinoline;dichloride
PubChem CID161375095
Molecular FormulaC34H29Cl2NSiZr-2
Molecular Weight641.83 g/mol
Exact Mass639.05
IUPAC Name1,9-dihydrofluoren-1-ide;dimethylsilylidenezirconium(2+);3-(2-methyl-1H-inden-1-id-4-yl)quinoline;dichloride
SMILESC[Si](C)=[Zr+2].Cc1cc2c(-c3cnc4ccccc4c3)cccc2[cH-]1.[Cl-].[Cl-].[c-]1cccc2c1Cc1ccccc1-2
InChIInChI=1S/C19H14N.C13H9.C2H6Si.2ClH.Zr/c1-13-9-14-6-4-7-17(18(14)10-13)16-11-15-5-2-3-8-19(15)20-12-16;1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-3-2;;;/h2-12H,1H3;1-5,7-8H,9H2;1-2H3;2*1H;/q2*-1;;;;+2/p-2
InChIKeyJNUKFEUVALJSRS-UHFFFAOYSA-L
XLogP2.93
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500641.83
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

CID 173317267
CID 173317267
bis(3-(2-methyl-1H-inden-1-id-4-yl)quinoline);bis(zirconium(2+));dichloride
CID 18938211
dimethylsilylidenezirconium(2+);bis(trimethyl-(4-quinolin-3-yl-1H-inden-1-id-2-yl)silane);dichloride
CID 157116329
dimethylsilylidenezirconium(2+);1H-inden-1-ide;trimethyl-(4-quinolin-3-yl-1H-inden-1-id-2-yl)silane;dichloride
CID 158183837
dimethylsilylidenezirconium(2+);bis(2-methyl-4-(4-phenylphenyl)-1H-inden-1-ide);dichloride
CID 173142029
tetrakis(4-(4-chlorophenyl)-2-methyl-1H-inden-1-ide);bis(dimethylsilylidenezirconium(2+));dichloride
CID 22335819
1,9-dihydrofluoren-1-ide;(2,4-dimethylcyclopenta-1,4-dien-1-yl)benzene;zirconium(4+);dichloride
CID 172785188
2-cyclopenta-1,4-dien-1-yl-1,3-dimethylbenzene;1,9-dihydrofluoren-1-ide;dimethylsilylidenezirconium(2+);dichloride
CID 158404561
1,9-dihydrofluoren-1-ide;hafnium(4+);1H-inden-1-id-2-yl(dimethyl)phosphane;dichloride
CID 21096108
bis(1,9-dihydrofluoren-1-ide);dimethylgermylidenezirconium(2+);dichloride
CID 159771388
bis(dimethylsilylidenezirconium(2+));tetrakis(2-methyl-4-(2-methylphenyl)-1H-inden-1-ide);dichloride
CID 22335826
CID 172998985
CID 172998985

Frequently Asked Questions

What is the IUPAC name of 1,9-dihydrofluoren-1-ide;dimethylsilylidenezirconium(2+);3-(2-methyl-1H-inden-1-id-4-yl)quinoline;dichloride?
The IUPAC name of 1,9-dihydrofluoren-1-ide;dimethylsilylidenezirconium(2+);3-(2-methyl-1H-inden-1-id-4-yl)quinoline;dichloride (CID 161375095) is 1,9-dihydrofluoren-1-ide;dimethylsilylidenezirconium(2+);3-(2-methyl-1H-inden-1-id-4-yl)quinoline;dichloride.
What is the SMILES notation for 1,9-dihydrofluoren-1-ide;dimethylsilylidenezirconium(2+);3-(2-methyl-1H-inden-1-id-4-yl)quinoline;dichloride?
The canonical SMILES for 1,9-dihydrofluoren-1-ide;dimethylsilylidenezirconium(2+);3-(2-methyl-1H-inden-1-id-4-yl)quinoline;dichloride is C[Si](C)=[Zr+2].Cc1cc2c(-c3cnc4ccccc4c3)cccc2[cH-]1.[Cl-].[Cl-].[c-]1cccc2c1Cc1ccccc1-2.
What is the InChIKey of 1,9-dihydrofluoren-1-ide;dimethylsilylidenezirconium(2+);3-(2-methyl-1H-inden-1-id-4-yl)quinoline;dichloride?
The InChIKey is JNUKFEUVALJSRS-UHFFFAOYSA-L. The full InChI is InChI=1S/C19H14N.C13H9.C2H6Si.2ClH.Zr/c1-13-9-14-6-4-7-17(18(14)10-13)16-11-15-5-2-3-8-19(15)20-12-16;1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-3-2;;;/h2-12H,1H3;1-5,7-8H,9H2;1-2H3;2*1H;/q2*-1;;;;+2/p-2.
What are the key properties of 1,9-dihydrofluoren-1-ide;dimethylsilylidenezirconium(2+);3-(2-methyl-1H-inden-1-id-4-yl)quinoline;dichloride?
1,9-dihydrofluoren-1-ide;dimethylsilylidenezirconium(2+);3-(2-methyl-1H-inden-1-id-4-yl)quinoline;dichloride has a molecular weight of 641.83 g/mol, XLogP of 2.93, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,9-dihydrofluoren-1-ide;dimethylsilylidenezirconium(2+);3-(2-methyl-1H-inden-1-id-4-yl)quinoline;dichloride is sourced from PubChem (CID 161375095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).