bis(dihexyl(1H-inden-1-id-2-yl)phosphane);bis(2-methyl-1H-inden-1-ide);bis(zirconium(2+));dichloride

C62H82Cl2P2Zr2-2 — CID 21095933

IUPACbis(dihexyl(1H-inden-1-id-2-yl)phosphane);bis(2-methyl-1H-inden-1-ide);bis(zirconium(2+));dichloride
SMILESCCCCCCP(CCCCCC)c1cc2ccccc2[cH-]1.CCCCCCP(CCCCCC)c1cc2ccccc2[cH-]1.Cc1cc2ccccc2[cH-]1.Cc1cc2ccccc2[cH-]1.[Cl-].[Cl-].[Zr+2].[Zr+2]
InChIInChI=1S/2C21H32P.2C10H9.2ClH.2Zr/c2*1-3-5-7-11-15-22(16-12-8-6-4-2)21-17-19-13-9-10-14-20(19)18-21;2*1-8-6-9-4-2-3-5-10(9)7-8;;;;/h2*9-10,13-14,17-18H,3-8,11-12,15-16H2,1-2H3;2*2-7H,1H3;2*1H;;/q4*-1;;;2*+2/p-2
InChIKeyOMXKRQWEZNYQFP-UHFFFAOYSA-L
MW1142.64 g/mol
LogP13.39
Rot. Bonds22

About bis(dihexyl(1H-inden-1-id-2-yl)phosphane);bis(2-methyl-1H-inden-1-ide);bis(zirconium(2+));dichloride

bis(dihexyl(1H-inden-1-id-2-yl)phosphane);bis(2-methyl-1H-inden-1-ide);bis(zirconium(2+));dichloride (PubChem CID 21095933) has the molecular formula C62H82Cl2P2Zr2-2 and a molecular weight of 1142.64 g/mol. Its IUPAC name is bis(dihexyl(1H-inden-1-id-2-yl)phosphane);bis(2-methyl-1H-inden-1-ide);bis(zirconium(2+));dichloride.

Molecular Properties

Compound Namebis(dihexyl(1H-inden-1-id-2-yl)phosphane);bis(2-methyl-1H-inden-1-ide);bis(zirconium(2+));dichloride
PubChem CID21095933
Molecular FormulaC62H82Cl2P2Zr2-2
Molecular Weight1142.64 g/mol
Exact Mass1138.34
IUPAC Namebis(dihexyl(1H-inden-1-id-2-yl)phosphane);bis(2-methyl-1H-inden-1-ide);bis(zirconium(2+));dichloride
SMILESCCCCCCP(CCCCCC)c1cc2ccccc2[cH-]1.CCCCCCP(CCCCCC)c1cc2ccccc2[cH-]1.Cc1cc2ccccc2[cH-]1.Cc1cc2ccccc2[cH-]1.[Cl-].[Cl-].[Zr+2].[Zr+2]
InChIInChI=1S/2C21H32P.2C10H9.2ClH.2Zr/c2*1-3-5-7-11-15-22(16-12-8-6-4-2)21-17-19-13-9-10-14-20(19)18-21;2*1-8-6-9-4-2-3-5-10(9)7-8;;;;/h2*9-10,13-14,17-18H,3-8,11-12,15-16H2,1-2H3;2*2-7H,1H3;2*1H;;/q4*-1;;;2*+2/p-2
InChIKeyOMXKRQWEZNYQFP-UHFFFAOYSA-L
XLogP13.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds22
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001142.64
LogP ≤ 513.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

dihexyl(1H-inden-1-id-2-yl)phosphane;1H-inden-1-id-2-yl(dipropyl)phosphane;zirconium(4+);dichloride
CID 87829716
bis(dibutyl(1H-inden-1-id-2-yl)phosphane);titanium(2+)
CID 21096598
dihexyl(1H-inden-1-id-2-yl)phosphane;hafnium(4+);1H-inden-1-ide;dichloride
CID 21095943
di(butan-2-yl)-(1H-inden-1-id-2-yl)phosphane;dihexyl(1H-inden-1-id-2-yl)phosphane;titanium(4+);dichloride
CID 87828912
bis(cyclopenta-1,3-diene);bis(dihexyl(1H-inden-1-id-2-yl)phosphane);bis(titanium(2+));dichloride
CID 21095938
dibutyl(1H-inden-1-id-2-yl)phosphane;hafnium(4+);1H-inden-1-id-2-yl-bis(2-methylpropyl)phosphane;dichloride
CID 21096158
bis(1H-inden-1-id-2-yl(dipropyl)phosphane);zirconium(4+);difluoride
CID 87829356
CID 173020208
CID 173020208
dihexyl(1H-inden-1-id-2-yl)phosphane;2-pentan-2-ylcyclopenta-1,3-diene;titanium(4+);dichloride
CID 87828098
ditert-butyl(1H-inden-1-id-2-yl)phosphane;1H-inden-1-id-2-yl(dipropyl)phosphane;zirconium(4+);dichloride
CID 87830275
diethylphosphane;2-methyl-1H-inden-1-ide;zirconium(4+);trichloride
CID 158338912
hafnium(4+);1H-inden-1-ide;1H-inden-1-id-2-yl(dipropyl)phosphane;dichloride
CID 21096230

Frequently Asked Questions

What is the IUPAC name of bis(dihexyl(1H-inden-1-id-2-yl)phosphane);bis(2-methyl-1H-inden-1-ide);bis(zirconium(2+));dichloride?
The IUPAC name of bis(dihexyl(1H-inden-1-id-2-yl)phosphane);bis(2-methyl-1H-inden-1-ide);bis(zirconium(2+));dichloride (CID 21095933) is bis(dihexyl(1H-inden-1-id-2-yl)phosphane);bis(2-methyl-1H-inden-1-ide);bis(zirconium(2+));dichloride.
What is the SMILES notation for bis(dihexyl(1H-inden-1-id-2-yl)phosphane);bis(2-methyl-1H-inden-1-ide);bis(zirconium(2+));dichloride?
The canonical SMILES for bis(dihexyl(1H-inden-1-id-2-yl)phosphane);bis(2-methyl-1H-inden-1-ide);bis(zirconium(2+));dichloride is CCCCCCP(CCCCCC)c1cc2ccccc2[cH-]1.CCCCCCP(CCCCCC)c1cc2ccccc2[cH-]1.Cc1cc2ccccc2[cH-]1.Cc1cc2ccccc2[cH-]1.[Cl-].[Cl-].[Zr+2].[Zr+2].
What is the InChIKey of bis(dihexyl(1H-inden-1-id-2-yl)phosphane);bis(2-methyl-1H-inden-1-ide);bis(zirconium(2+));dichloride?
The InChIKey is OMXKRQWEZNYQFP-UHFFFAOYSA-L. The full InChI is InChI=1S/2C21H32P.2C10H9.2ClH.2Zr/c2*1-3-5-7-11-15-22(16-12-8-6-4-2)21-17-19-13-9-10-14-20(19)18-21;2*1-8-6-9-4-2-3-5-10(9)7-8;;;;/h2*9-10,13-14,17-18H,3-8,11-12,15-16H2,1-2H3;2*2-7H,1H3;2*1H;;/q4*-1;;;2*+2/p-2.
What are the key properties of bis(dihexyl(1H-inden-1-id-2-yl)phosphane);bis(2-methyl-1H-inden-1-ide);bis(zirconium(2+));dichloride?
bis(dihexyl(1H-inden-1-id-2-yl)phosphane);bis(2-methyl-1H-inden-1-ide);bis(zirconium(2+));dichloride has a molecular weight of 1142.64 g/mol, XLogP of 13.39, 22 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(dihexyl(1H-inden-1-id-2-yl)phosphane);bis(2-methyl-1H-inden-1-ide);bis(zirconium(2+));dichloride is sourced from PubChem (CID 21095933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).