CID 173284099

C32H28Cl2InZr — CID 173284099

IUPAC—
SMILESCc1cc2c(-c3ccccc3)cccc2[cH-]1.Cc1cc2c(-c3ccccc3)cccc2[cH-]1.Cl.Cl.[In].[Zr+2]
InChIInChI=1S/2C16H13.2ClH.In.Zr/c2*1-12-10-14-8-5-9-15(16(14)11-12)13-6-3-2-4-7-13;;;;/h2*2-11H,1H3;2*1H;;/q2*-1;;;;+2
InChIKeyRONRTMLEGLDHKV-UHFFFAOYSA-N
MW689.52 g/mol
LogP9.53
Rot. Bonds2

About CID 173284099

CID 173284099 (PubChem CID 173284099) has the molecular formula C32H28Cl2InZr and a molecular weight of 689.52 g/mol.

Molecular Properties

Compound NameCID 173284099
PubChem CID173284099
Molecular FormulaC32H28Cl2InZr
Molecular Weight689.52 g/mol
Exact Mass686.97
IUPAC Name—
SMILESCc1cc2c(-c3ccccc3)cccc2[cH-]1.Cc1cc2c(-c3ccccc3)cccc2[cH-]1.Cl.Cl.[In].[Zr+2]
InChIInChI=1S/2C16H13.2ClH.In.Zr/c2*1-12-10-14-8-5-9-15(16(14)11-12)13-6-3-2-4-7-13;;;;/h2*2-11H,1H3;2*1H;;/q2*-1;;;;+2
InChIKeyRONRTMLEGLDHKV-UHFFFAOYSA-N
XLogP9.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500689.52
LogP ≤ 59.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

hafnium;2-methyl-4-phenyl-1H-inden-1-ide
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CID 173168918
bis(2-methyl-4-phenyl-1H-inden-1-ide);bis(titanium(2+));dichloride
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dichlorozirconium;2-methyl-4-phenyl-1H-inden-1-ide
CID 173091185
CID 87993698
CID 87993698
CID 150666493
CID 150666493
cyclopenta-1,3-diene;2-methyl-4-phenyl-1H-inden-1-ide;zirconium(4+);dichloride
CID 160745870
CID 173314158
CID 173314158
dimethylsilylidenezirconium(2+);bis(2-methyl-4-(4-phenylphenyl)-1H-inden-1-ide);dichloride
CID 173142029
bis(1H-inden-1-ide);bis(2-methyl-4-phenyl-1H-inden-1-ide);bis(zirconium(2+));dichloride
CID 23369269
diphenylsilylidenezirconium(2+);bis(2-methyl-4-phenyl-1H-inden-1-ide);dichloride
CID 162314142
tetrakis(2-methyl-4-phenyl-1H-inden-1-ide);bis([methyl(phenyl)silylidene]zirconium(2+));dichloride
CID 22335809

Frequently Asked Questions

What is the IUPAC name of CID 173284099?
The IUPAC name of CID 173284099 (CID 173284099) is not available.
What is the SMILES notation for CID 173284099?
The canonical SMILES for CID 173284099 is Cc1cc2c(-c3ccccc3)cccc2[cH-]1.Cc1cc2c(-c3ccccc3)cccc2[cH-]1.Cl.Cl.[In].[Zr+2].
What is the InChIKey of CID 173284099?
The InChIKey is RONRTMLEGLDHKV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C16H13.2ClH.In.Zr/c2*1-12-10-14-8-5-9-15(16(14)11-12)13-6-3-2-4-7-13;;;;/h2*2-11H,1H3;2*1H;;/q2*-1;;;;+2.
What are the key properties of CID 173284099?
CID 173284099 has a molecular weight of 689.52 g/mol, XLogP of 9.53, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173284099 is sourced from PubChem (CID 173284099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).