tetrakis(dicyclohexyl-(4,7-dimethyl-1H-inden-1-id-2-yl)phosphane);bis(zirconium(2+));dichloride

C92H128Cl2P4Zr2-2 — CID 21096505

IUPACtetrakis(dicyclohexyl-(4,7-dimethyl-1H-inden-1-id-2-yl)phosphane);bis(zirconium(2+));dichloride
SMILESCc1ccc(C)c2[cH-]c(P(C3CCCCC3)C3CCCCC3)cc12.Cc1ccc(C)c2[cH-]c(P(C3CCCCC3)C3CCCCC3)cc12.Cc1ccc(C)c2[cH-]c(P(C3CCCCC3)C3CCCCC3)cc12.Cc1ccc(C)c2[cH-]c(P(C3CCCCC3)C3CCCCC3)cc12.[Cl-].[Cl-].[Zr+2].[Zr+2]
InChIInChI=1S/4C23H32P.2ClH.2Zr/c4*1-17-13-14-18(2)23-16-21(15-22(17)23)24(19-9-5-3-6-10-19)20-11-7-4-8-12-20;;;;/h4*13-16,19-20H,3-12H2,1-2H3;2*1H;;/q4*-1;;;2*+2/p-2
InChIKeyYQEPTBIAJPUXJM-UHFFFAOYSA-L
MW1611.29 g/mol
LogP21.80
Rot. Bonds12

About tetrakis(dicyclohexyl-(4,7-dimethyl-1H-inden-1-id-2-yl)phosphane);bis(zirconium(2+));dichloride

tetrakis(dicyclohexyl-(4,7-dimethyl-1H-inden-1-id-2-yl)phosphane);bis(zirconium(2+));dichloride (PubChem CID 21096505) has the molecular formula C92H128Cl2P4Zr2-2 and a molecular weight of 1611.29 g/mol. Its IUPAC name is tetrakis(dicyclohexyl-(4,7-dimethyl-1H-inden-1-id-2-yl)phosphane);bis(zirconium(2+));dichloride.

Molecular Properties

Compound Nametetrakis(dicyclohexyl-(4,7-dimethyl-1H-inden-1-id-2-yl)phosphane);bis(zirconium(2+));dichloride
PubChem CID21096505
Molecular FormulaC92H128Cl2P4Zr2-2
Molecular Weight1611.29 g/mol
Exact Mass1606.64
IUPAC Nametetrakis(dicyclohexyl-(4,7-dimethyl-1H-inden-1-id-2-yl)phosphane);bis(zirconium(2+));dichloride
SMILESCc1ccc(C)c2[cH-]c(P(C3CCCCC3)C3CCCCC3)cc12.Cc1ccc(C)c2[cH-]c(P(C3CCCCC3)C3CCCCC3)cc12.Cc1ccc(C)c2[cH-]c(P(C3CCCCC3)C3CCCCC3)cc12.Cc1ccc(C)c2[cH-]c(P(C3CCCCC3)C3CCCCC3)cc12.[Cl-].[Cl-].[Zr+2].[Zr+2]
InChIInChI=1S/4C23H32P.2ClH.2Zr/c4*1-17-13-14-18(2)23-16-21(15-22(17)23)24(19-9-5-3-6-10-19)20-11-7-4-8-12-20;;;;/h4*13-16,19-20H,3-12H2,1-2H3;2*1H;;/q4*-1;;;2*+2/p-2
InChIKeyYQEPTBIAJPUXJM-UHFFFAOYSA-L
XLogP21.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms100
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001611.29
LogP ≤ 521.80
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'}

Analyze tetrakis(dicyclohexyl-(4,7-dimethyl-1H-inden-1-id-2-yl)phosphane);bis(zirconium(2+));dichloride with MolForge

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Related Compounds

ditert-butyl-(4,7-dimethyl-1H-inden-1-id-2-yl)phosphane;titanium(3+);dichloride
CID 87865301
bis(dicyclohexyl-(4-phenyl-1H-inden-1-id-2-yl)phosphane);titanium(4+);dichloride
CID 87828804
tris(titanium(2+));tris(2,4,7-trimethyl-1H-inden-1-ide);trichloride
CID 19696978
titanium(4+);2,4,7-trimethyl-1H-inden-1-ide;trichloride
CID 160602181
dicyclohexyl(1H-inden-1-id-2-yl)phosphane;1H-inden-1-id-2-yl-di(propan-2-yl)phosphane;zirconium(4+);dichloride
CID 21095996
dicyclohexyl-(2,4-dimethylphenyl)phosphane
CID 118892714
dicyclohexyl-[1-(2-dicyclohexylphosphanyl-3-methylnaphthalen-1-yl)-3-methylnaphthalen-2-yl]phosphane
CID 20606205
dicyclohexyl-(4,7-dimethyl-1H-inden-2-yl)phosphane
CID 21096503
bis(cyclopenta-1,3-diene);bis(dicyclohexyl(1H-inden-1-id-2-yl)phosphane);bis(titanium(2+));dichloride
CID 21095907
dicyclohexyl-[2-(6-dicyclohexylphosphanyl-3-methoxy-2,4-dimethylphenyl)-4-methoxy-3,5-dimethylphenyl]phosphane
CID 11250875
dicyclohexyl-(2-methyl-4-phenylphenyl)phosphane
CID 58500391
dicyclohexyl-[2-(2-dicyclohexylphosphanyl-6-methylphenyl)-3-methylphenyl]phosphane;ruthenium(2+);diiodide
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Frequently Asked Questions

What is the IUPAC name of tetrakis(dicyclohexyl-(4,7-dimethyl-1H-inden-1-id-2-yl)phosphane);bis(zirconium(2+));dichloride?
The IUPAC name of tetrakis(dicyclohexyl-(4,7-dimethyl-1H-inden-1-id-2-yl)phosphane);bis(zirconium(2+));dichloride (CID 21096505) is tetrakis(dicyclohexyl-(4,7-dimethyl-1H-inden-1-id-2-yl)phosphane);bis(zirconium(2+));dichloride.
What is the SMILES notation for tetrakis(dicyclohexyl-(4,7-dimethyl-1H-inden-1-id-2-yl)phosphane);bis(zirconium(2+));dichloride?
The canonical SMILES for tetrakis(dicyclohexyl-(4,7-dimethyl-1H-inden-1-id-2-yl)phosphane);bis(zirconium(2+));dichloride is Cc1ccc(C)c2[cH-]c(P(C3CCCCC3)C3CCCCC3)cc12.Cc1ccc(C)c2[cH-]c(P(C3CCCCC3)C3CCCCC3)cc12.Cc1ccc(C)c2[cH-]c(P(C3CCCCC3)C3CCCCC3)cc12.Cc1ccc(C)c2[cH-]c(P(C3CCCCC3)C3CCCCC3)cc12.[Cl-].[Cl-].[Zr+2].[Zr+2].
What is the InChIKey of tetrakis(dicyclohexyl-(4,7-dimethyl-1H-inden-1-id-2-yl)phosphane);bis(zirconium(2+));dichloride?
The InChIKey is YQEPTBIAJPUXJM-UHFFFAOYSA-L. The full InChI is InChI=1S/4C23H32P.2ClH.2Zr/c4*1-17-13-14-18(2)23-16-21(15-22(17)23)24(19-9-5-3-6-10-19)20-11-7-4-8-12-20;;;;/h4*13-16,19-20H,3-12H2,1-2H3;2*1H;;/q4*-1;;;2*+2/p-2.
What are the key properties of tetrakis(dicyclohexyl-(4,7-dimethyl-1H-inden-1-id-2-yl)phosphane);bis(zirconium(2+));dichloride?
tetrakis(dicyclohexyl-(4,7-dimethyl-1H-inden-1-id-2-yl)phosphane);bis(zirconium(2+));dichloride has a molecular weight of 1611.29 g/mol, XLogP of 21.80, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(dicyclohexyl-(4,7-dimethyl-1H-inden-1-id-2-yl)phosphane);bis(zirconium(2+));dichloride is sourced from PubChem (CID 21096505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).