1,5-dimethylcyclopenta-1,3-diene;hafnium(4+);1-(1H-inden-1-id-2-yl)phosphindole;dichloride

C24H21Cl2HfP — CID 161325964

IUPAC1,5-dimethylcyclopenta-1,3-diene;hafnium(4+);1-(1H-inden-1-id-2-yl)phosphindole;dichloride
SMILESCc1ccc[c-]1C.[Cl-].[Cl-].[Hf+4].c1ccc2[cH-]c(-p3ccc4ccccc43)cc2c1
InChIInChI=1S/C17H12P.C7H9.2ClH.Hf/c1-2-7-15-12-16(11-14(15)6-1)18-10-9-13-5-3-4-8-17(13)18;1-6-4-3-5-7(6)2;;;/h1-12H;3-5H,1-2H3;2*1H;/q2*-1;;;+4/p-2
InChIKeyXGLSPZMQEJZQCF-UHFFFAOYSA-L
MW589.80 g/mol
LogP1.72
Rot. Bonds1

About 1,5-dimethylcyclopenta-1,3-diene;hafnium(4+);1-(1H-inden-1-id-2-yl)phosphindole;dichloride

1,5-dimethylcyclopenta-1,3-diene;hafnium(4+);1-(1H-inden-1-id-2-yl)phosphindole;dichloride (PubChem CID 161325964) has the molecular formula C24H21Cl2HfP and a molecular weight of 589.80 g/mol. Its IUPAC name is 1,5-dimethylcyclopenta-1,3-diene;hafnium(4+);1-(1H-inden-1-id-2-yl)phosphindole;dichloride.

Molecular Properties

Compound Name1,5-dimethylcyclopenta-1,3-diene;hafnium(4+);1-(1H-inden-1-id-2-yl)phosphindole;dichloride
PubChem CID161325964
Molecular FormulaC24H21Cl2HfP
Molecular Weight589.80 g/mol
Exact Mass590.02
IUPAC Name1,5-dimethylcyclopenta-1,3-diene;hafnium(4+);1-(1H-inden-1-id-2-yl)phosphindole;dichloride
SMILESCc1ccc[c-]1C.[Cl-].[Cl-].[Hf+4].c1ccc2[cH-]c(-p3ccc4ccccc43)cc2c1
InChIInChI=1S/C17H12P.C7H9.2ClH.Hf/c1-2-7-15-12-16(11-14(15)6-1)18-10-9-13-5-3-4-8-17(13)18;1-6-4-3-5-7(6)2;;;/h1-12H;3-5H,1-2H3;2*1H;/q2*-1;;;+4/p-2
InChIKeyXGLSPZMQEJZQCF-UHFFFAOYSA-L
XLogP1.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500589.80
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,5-dimethylcyclopenta-1,3-diene;1-(1H-inden-1-id-2-yl)phosphole;zirconium(4+);dichloride
CID 158864044
2,3-dimethylcyclopenta-1,3-diene;1-(1H-inden-1-id-2-yl)phosphindole;titanium(4+);dichloride
CID 87863023
1,5-dimethylcyclopenta-1,3-diene;1-(1H-inden-1-id-2-yl)-2-methylindole;zirconium(4+);dichloride
CID 162163813
hafnium(4+);bis(1-(1H-inden-1-id-2-yl)phosphole);dichloride
CID 87862693
bis(1,5-dimethylcyclopenta-1,3-diene);zirconium(4+);dibromide
CID 159332319
CID 157447863
CID 157447863
hafnium(4+);bis(4-(1H-inden-1-id-2-yl)-2,3-dihydro-1H-cyclopenta[b]phosphindole);dichloride
CID 87862825
hafnium(4+);bis(2-propan-2-yl-1H-inden-1-ide);dichloride
CID 161453057
5-butyl-1-methylcyclopenta-1,3-diene;hafnium(4+);1H-inden-1-id-2-yl(dimethyl)phosphane;dichloride
CID 157398580
5-(1H-inden-1-id-2-yl)-6,7,8,9-tetrahydrobenzo[b]phosphindole;zirconium(3+);dichloride
CID 87935466
1-(1H-inden-1-id-2-yl)-2-methylindole;5-methylcyclopenta-1,3-diene;zirconium(4+);dichloride
CID 159286685
2-methyl-1H-inden-1-ide;praseodymium
CID 150206996

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethylcyclopenta-1,3-diene;hafnium(4+);1-(1H-inden-1-id-2-yl)phosphindole;dichloride?
The IUPAC name of 1,5-dimethylcyclopenta-1,3-diene;hafnium(4+);1-(1H-inden-1-id-2-yl)phosphindole;dichloride (CID 161325964) is 1,5-dimethylcyclopenta-1,3-diene;hafnium(4+);1-(1H-inden-1-id-2-yl)phosphindole;dichloride.
What is the SMILES notation for 1,5-dimethylcyclopenta-1,3-diene;hafnium(4+);1-(1H-inden-1-id-2-yl)phosphindole;dichloride?
The canonical SMILES for 1,5-dimethylcyclopenta-1,3-diene;hafnium(4+);1-(1H-inden-1-id-2-yl)phosphindole;dichloride is Cc1ccc[c-]1C.[Cl-].[Cl-].[Hf+4].c1ccc2[cH-]c(-p3ccc4ccccc43)cc2c1.
What is the InChIKey of 1,5-dimethylcyclopenta-1,3-diene;hafnium(4+);1-(1H-inden-1-id-2-yl)phosphindole;dichloride?
The InChIKey is XGLSPZMQEJZQCF-UHFFFAOYSA-L. The full InChI is InChI=1S/C17H12P.C7H9.2ClH.Hf/c1-2-7-15-12-16(11-14(15)6-1)18-10-9-13-5-3-4-8-17(13)18;1-6-4-3-5-7(6)2;;;/h1-12H;3-5H,1-2H3;2*1H;/q2*-1;;;+4/p-2.
What are the key properties of 1,5-dimethylcyclopenta-1,3-diene;hafnium(4+);1-(1H-inden-1-id-2-yl)phosphindole;dichloride?
1,5-dimethylcyclopenta-1,3-diene;hafnium(4+);1-(1H-inden-1-id-2-yl)phosphindole;dichloride has a molecular weight of 589.80 g/mol, XLogP of 1.72, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethylcyclopenta-1,3-diene;hafnium(4+);1-(1H-inden-1-id-2-yl)phosphindole;dichloride is sourced from PubChem (CID 161325964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).