dichlorozirconium;2,6-dimethyl-4-phenyl-1H-indene

C17H16Cl2Zr — CID 174528512

IUPACdichlorozirconium;2,6-dimethyl-4-phenyl-1H-indene
SMILESCC1=Cc2c(cc(C)cc2-c2ccccc2)C1.Cl[Zr]Cl
InChIInChI=1S/C17H16.2ClH.Zr/c1-12-8-15-9-13(2)11-17(15)16(10-12)14-6-4-3-5-7-14;;;/h3-8,10-11H,9H2,1-2H3;2*1H;/q;;;+2/p-2
InChIKeyOGRXSRRCUYFOPT-UHFFFAOYSA-L
MW382.45 g/mol
LogP6.00
Rot. Bonds1

About dichlorozirconium;2,6-dimethyl-4-phenyl-1H-indene

dichlorozirconium;2,6-dimethyl-4-phenyl-1H-indene (PubChem CID 174528512) has the molecular formula C17H16Cl2Zr and a molecular weight of 382.45 g/mol. Its IUPAC name is dichlorozirconium;2,6-dimethyl-4-phenyl-1H-indene.

Molecular Properties

Compound Namedichlorozirconium;2,6-dimethyl-4-phenyl-1H-indene
PubChem CID174528512
Molecular FormulaC17H16Cl2Zr
Molecular Weight382.45 g/mol
Exact Mass379.97
IUPAC Namedichlorozirconium;2,6-dimethyl-4-phenyl-1H-indene
SMILESCC1=Cc2c(cc(C)cc2-c2ccccc2)C1.Cl[Zr]Cl
InChIInChI=1S/C17H16.2ClH.Zr/c1-12-8-15-9-13(2)11-17(15)16(10-12)14-6-4-3-5-7-14;;;/h3-8,10-11H,9H2,1-2H3;2*1H;/q;;;+2/p-2
InChIKeyOGRXSRRCUYFOPT-UHFFFAOYSA-L
XLogP6.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.45
LogP ≤ 56.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of dichlorozirconium;2,6-dimethyl-4-phenyl-1H-indene?
The IUPAC name of dichlorozirconium;2,6-dimethyl-4-phenyl-1H-indene (CID 174528512) is dichlorozirconium;2,6-dimethyl-4-phenyl-1H-indene.
What is the SMILES notation for dichlorozirconium;2,6-dimethyl-4-phenyl-1H-indene?
The canonical SMILES for dichlorozirconium;2,6-dimethyl-4-phenyl-1H-indene is CC1=Cc2c(cc(C)cc2-c2ccccc2)C1.Cl[Zr]Cl.
What is the InChIKey of dichlorozirconium;2,6-dimethyl-4-phenyl-1H-indene?
The InChIKey is OGRXSRRCUYFOPT-UHFFFAOYSA-L. The full InChI is InChI=1S/C17H16.2ClH.Zr/c1-12-8-15-9-13(2)11-17(15)16(10-12)14-6-4-3-5-7-14;;;/h3-8,10-11H,9H2,1-2H3;2*1H;/q;;;+2/p-2.
What are the key properties of dichlorozirconium;2,6-dimethyl-4-phenyl-1H-indene?
dichlorozirconium;2,6-dimethyl-4-phenyl-1H-indene has a molecular weight of 382.45 g/mol, XLogP of 6.00, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dichlorozirconium;2,6-dimethyl-4-phenyl-1H-indene is sourced from PubChem (CID 174528512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).