tetrakis(dimethyl-(4-phenyl-1H-inden-1-id-2-yl)phosphane);bis(zirconium(2+));dichloride

C68H64Cl2P4Zr2-2 — CID 21096577

IUPACtetrakis(dimethyl-(4-phenyl-1H-inden-1-id-2-yl)phosphane);bis(zirconium(2+));dichloride
SMILESCP(C)c1cc2c(-c3ccccc3)cccc2[cH-]1.CP(C)c1cc2c(-c3ccccc3)cccc2[cH-]1.CP(C)c1cc2c(-c3ccccc3)cccc2[cH-]1.CP(C)c1cc2c(-c3ccccc3)cccc2[cH-]1.[Cl-].[Cl-].[Zr+2].[Zr+2]
InChIInChI=1S/4C17H16P.2ClH.2Zr/c4*1-18(2)15-11-14-9-6-10-16(17(14)12-15)13-7-4-3-5-8-13;;;;/h4*3-12H,1-2H3;2*1H;;/q4*-1;;;2*+2/p-2
InChIKeyRFDSCDVRYQQYNM-UHFFFAOYSA-L
MW1258.51 g/mol
LogP12.37
Rot. Bonds8

About tetrakis(dimethyl-(4-phenyl-1H-inden-1-id-2-yl)phosphane);bis(zirconium(2+));dichloride

tetrakis(dimethyl-(4-phenyl-1H-inden-1-id-2-yl)phosphane);bis(zirconium(2+));dichloride (PubChem CID 21096577) has the molecular formula C68H64Cl2P4Zr2-2 and a molecular weight of 1258.51 g/mol. Its IUPAC name is tetrakis(dimethyl-(4-phenyl-1H-inden-1-id-2-yl)phosphane);bis(zirconium(2+));dichloride.

Molecular Properties

Compound Nametetrakis(dimethyl-(4-phenyl-1H-inden-1-id-2-yl)phosphane);bis(zirconium(2+));dichloride
PubChem CID21096577
Molecular FormulaC68H64Cl2P4Zr2-2
Molecular Weight1258.51 g/mol
Exact Mass1254.14
IUPAC Nametetrakis(dimethyl-(4-phenyl-1H-inden-1-id-2-yl)phosphane);bis(zirconium(2+));dichloride
SMILESCP(C)c1cc2c(-c3ccccc3)cccc2[cH-]1.CP(C)c1cc2c(-c3ccccc3)cccc2[cH-]1.CP(C)c1cc2c(-c3ccccc3)cccc2[cH-]1.CP(C)c1cc2c(-c3ccccc3)cccc2[cH-]1.[Cl-].[Cl-].[Zr+2].[Zr+2]
InChIInChI=1S/4C17H16P.2ClH.2Zr/c4*1-18(2)15-11-14-9-6-10-16(17(14)12-15)13-7-4-3-5-8-13;;;;/h4*3-12H,1-2H3;2*1H;;/q4*-1;;;2*+2/p-2
InChIKeyRFDSCDVRYQQYNM-UHFFFAOYSA-L
XLogP12.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001258.51
LogP ≤ 512.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

bis(diphenyl-(4-phenyl-1H-inden-1-id-2-yl)phosphane);titanium(4+);dichloride
CID 87829471
bis((4-phenyl-1H-inden-1-id-2-yl)-di(propan-2-yl)phosphane);zirconium(4+);dichloride
CID 21096560
ditert-butyl-(4-phenyl-1H-inden-1-id-2-yl)phosphane;hafnium;dihydrochloride
CID 87865337
bis(di(butan-2-yl)-(4-phenyl-1H-inden-1-id-2-yl)phosphane);zirconium(4+);dichloride
CID 87830220
CID 173168918
CID 173168918
bis(2-methyl-4-phenyl-1H-inden-1-ide);bis(titanium(2+));dichloride
CID 22104595
CID 173284099
CID 173284099
bis(dicyclohexyl-(4-phenyl-1H-inden-1-id-2-yl)phosphane);titanium(4+);dichloride
CID 87828804
hafnium;2-methyl-4-phenyl-1H-inden-1-ide
CID 154081664
bis(dimethylsilylidenezirconium(2+));tetrakis(2,4-diphenyl-1H-inden-1-ide);dichloride
CID 22602504
tetrakis(2-ethyl-4-phenyl-1H-inden-1-ide);bis(zirconium(2+));difluoride
CID 18365664
tris(2-ethyl-4-phenyl-1H-inden-1-ide);tris(zirconium(2+));trifluoride
CID 18365661

Frequently Asked Questions

What is the IUPAC name of tetrakis(dimethyl-(4-phenyl-1H-inden-1-id-2-yl)phosphane);bis(zirconium(2+));dichloride?
The IUPAC name of tetrakis(dimethyl-(4-phenyl-1H-inden-1-id-2-yl)phosphane);bis(zirconium(2+));dichloride (CID 21096577) is tetrakis(dimethyl-(4-phenyl-1H-inden-1-id-2-yl)phosphane);bis(zirconium(2+));dichloride.
What is the SMILES notation for tetrakis(dimethyl-(4-phenyl-1H-inden-1-id-2-yl)phosphane);bis(zirconium(2+));dichloride?
The canonical SMILES for tetrakis(dimethyl-(4-phenyl-1H-inden-1-id-2-yl)phosphane);bis(zirconium(2+));dichloride is CP(C)c1cc2c(-c3ccccc3)cccc2[cH-]1.CP(C)c1cc2c(-c3ccccc3)cccc2[cH-]1.CP(C)c1cc2c(-c3ccccc3)cccc2[cH-]1.CP(C)c1cc2c(-c3ccccc3)cccc2[cH-]1.[Cl-].[Cl-].[Zr+2].[Zr+2].
What is the InChIKey of tetrakis(dimethyl-(4-phenyl-1H-inden-1-id-2-yl)phosphane);bis(zirconium(2+));dichloride?
The InChIKey is RFDSCDVRYQQYNM-UHFFFAOYSA-L. The full InChI is InChI=1S/4C17H16P.2ClH.2Zr/c4*1-18(2)15-11-14-9-6-10-16(17(14)12-15)13-7-4-3-5-8-13;;;;/h4*3-12H,1-2H3;2*1H;;/q4*-1;;;2*+2/p-2.
What are the key properties of tetrakis(dimethyl-(4-phenyl-1H-inden-1-id-2-yl)phosphane);bis(zirconium(2+));dichloride?
tetrakis(dimethyl-(4-phenyl-1H-inden-1-id-2-yl)phosphane);bis(zirconium(2+));dichloride has a molecular weight of 1258.51 g/mol, XLogP of 12.37, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(dimethyl-(4-phenyl-1H-inden-1-id-2-yl)phosphane);bis(zirconium(2+));dichloride is sourced from PubChem (CID 21096577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).