dihexyl(1H-inden-1-id-2-yl)phosphane;hafnium(4+);1H-inden-1-ide;dichloride

C30H39Cl2HfP — CID 21095943

IUPACdihexyl(1H-inden-1-id-2-yl)phosphane;hafnium(4+);1H-inden-1-ide;dichloride
SMILESCCCCCCP(CCCCCC)c1cc2ccccc2[cH-]1.[Cl-].[Cl-].[Hf+4].c1ccc2[cH-]ccc2c1
InChIInChI=1S/C21H32P.C9H7.2ClH.Hf/c1-3-5-7-11-15-22(16-12-8-6-4-2)21-17-19-13-9-10-14-20(19)18-21;1-2-5-9-7-3-6-8(9)4-1;;;/h9-10,13-14,17-18H,3-8,11-12,15-16H2,1-2H3;1-7H;2*1H;/q2*-1;;;+4/p-2
InChIKeyZGBBTBKMWSQQCA-UHFFFAOYSA-L
MW680.01 g/mol
LogP3.39
Rot. Bonds11

About dihexyl(1H-inden-1-id-2-yl)phosphane;hafnium(4+);1H-inden-1-ide;dichloride

dihexyl(1H-inden-1-id-2-yl)phosphane;hafnium(4+);1H-inden-1-ide;dichloride (PubChem CID 21095943) has the molecular formula C30H39Cl2HfP and a molecular weight of 680.01 g/mol. Its IUPAC name is dihexyl(1H-inden-1-id-2-yl)phosphane;hafnium(4+);1H-inden-1-ide;dichloride.

Molecular Properties

Compound Namedihexyl(1H-inden-1-id-2-yl)phosphane;hafnium(4+);1H-inden-1-ide;dichloride
PubChem CID21095943
Molecular FormulaC30H39Cl2HfP
Molecular Weight680.01 g/mol
Exact Mass680.16
IUPAC Namedihexyl(1H-inden-1-id-2-yl)phosphane;hafnium(4+);1H-inden-1-ide;dichloride
SMILESCCCCCCP(CCCCCC)c1cc2ccccc2[cH-]1.[Cl-].[Cl-].[Hf+4].c1ccc2[cH-]ccc2c1
InChIInChI=1S/C21H32P.C9H7.2ClH.Hf/c1-3-5-7-11-15-22(16-12-8-6-4-2)21-17-19-13-9-10-14-20(19)18-21;1-2-5-9-7-3-6-8(9)4-1;;;/h9-10,13-14,17-18H,3-8,11-12,15-16H2,1-2H3;1-7H;2*1H;/q2*-1;;;+4/p-2
InChIKeyZGBBTBKMWSQQCA-UHFFFAOYSA-L
XLogP3.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500680.01
LogP ≤ 53.39
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

hafnium(4+);1H-inden-1-ide;1H-inden-1-id-2-yl(dipropyl)phosphane;dichloride
CID 21096230
dihexyl(1H-inden-1-id-2-yl)phosphane;1H-inden-1-id-2-yl(dipropyl)phosphane;zirconium(4+);dichloride
CID 87829716
bis(dihexyl(1H-inden-1-id-2-yl)phosphane);bis(2-methyl-1H-inden-1-ide);bis(zirconium(2+));dichloride
CID 21095933
bis(dibutyl(1H-inden-1-id-2-yl)phosphane);titanium(2+)
CID 21096598
di(butan-2-yl)-(1H-inden-1-id-2-yl)phosphane;dihexyl(1H-inden-1-id-2-yl)phosphane;titanium(4+);dichloride
CID 87828912
dibutyl(1H-inden-1-id-2-yl)phosphane;hafnium(4+);1H-inden-1-id-2-yl-bis(2-methylpropyl)phosphane;dichloride
CID 21096158
bis(cyclopenta-1,3-diene);bis(dihexyl(1H-inden-1-id-2-yl)phosphane);bis(titanium(2+));dichloride
CID 21095938
bis(1H-inden-1-id-2-yl(dipropyl)phosphane);zirconium(4+);difluoride
CID 87829356
2-butyl-1H-inden-1-ide;1H-inden-1-ide;zirconium(4+);dichloride
CID 161427368
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
2-ethyl-1H-inden-1-ide;1H-inden-1-ide;zirconium(4+);dichloride
CID 18369854

Frequently Asked Questions

What is the IUPAC name of dihexyl(1H-inden-1-id-2-yl)phosphane;hafnium(4+);1H-inden-1-ide;dichloride?
The IUPAC name of dihexyl(1H-inden-1-id-2-yl)phosphane;hafnium(4+);1H-inden-1-ide;dichloride (CID 21095943) is dihexyl(1H-inden-1-id-2-yl)phosphane;hafnium(4+);1H-inden-1-ide;dichloride.
What is the SMILES notation for dihexyl(1H-inden-1-id-2-yl)phosphane;hafnium(4+);1H-inden-1-ide;dichloride?
The canonical SMILES for dihexyl(1H-inden-1-id-2-yl)phosphane;hafnium(4+);1H-inden-1-ide;dichloride is CCCCCCP(CCCCCC)c1cc2ccccc2[cH-]1.[Cl-].[Cl-].[Hf+4].c1ccc2[cH-]ccc2c1.
What is the InChIKey of dihexyl(1H-inden-1-id-2-yl)phosphane;hafnium(4+);1H-inden-1-ide;dichloride?
The InChIKey is ZGBBTBKMWSQQCA-UHFFFAOYSA-L. The full InChI is InChI=1S/C21H32P.C9H7.2ClH.Hf/c1-3-5-7-11-15-22(16-12-8-6-4-2)21-17-19-13-9-10-14-20(19)18-21;1-2-5-9-7-3-6-8(9)4-1;;;/h9-10,13-14,17-18H,3-8,11-12,15-16H2,1-2H3;1-7H;2*1H;/q2*-1;;;+4/p-2.
What are the key properties of dihexyl(1H-inden-1-id-2-yl)phosphane;hafnium(4+);1H-inden-1-ide;dichloride?
dihexyl(1H-inden-1-id-2-yl)phosphane;hafnium(4+);1H-inden-1-ide;dichloride has a molecular weight of 680.01 g/mol, XLogP of 3.39, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dihexyl(1H-inden-1-id-2-yl)phosphane;hafnium(4+);1H-inden-1-ide;dichloride is sourced from PubChem (CID 21095943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).