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

C24H27Cl2HfP — CID 21096230

IUPAChafnium(4+);1H-inden-1-ide;1H-inden-1-id-2-yl(dipropyl)phosphane;dichloride
SMILESCCCP(CCC)c1cc2ccccc2[cH-]1.[Cl-].[Cl-].[Hf+4].c1ccc2[cH-]ccc2c1
InChIInChI=1S/C15H20P.C9H7.2ClH.Hf/c1-3-9-16(10-4-2)15-11-13-7-5-6-8-14(13)12-15;1-2-5-9-7-3-6-8(9)4-1;;;/h5-8,11-12H,3-4,9-10H2,1-2H3;1-7H;2*1H;/q2*-1;;;+4/p-2
InChIKeyCLNQUBXWVBJCBE-UHFFFAOYSA-L
MW595.85 g/mol
LogP1.05
Rot. Bonds5

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

hafnium(4+);1H-inden-1-ide;1H-inden-1-id-2-yl(dipropyl)phosphane;dichloride (PubChem CID 21096230) has the molecular formula C24H27Cl2HfP and a molecular weight of 595.85 g/mol. Its IUPAC name is hafnium(4+);1H-inden-1-ide;1H-inden-1-id-2-yl(dipropyl)phosphane;dichloride.

Molecular Properties

Compound Namehafnium(4+);1H-inden-1-ide;1H-inden-1-id-2-yl(dipropyl)phosphane;dichloride
PubChem CID21096230
Molecular FormulaC24H27Cl2HfP
Molecular Weight595.85 g/mol
Exact Mass596.07
IUPAC Namehafnium(4+);1H-inden-1-ide;1H-inden-1-id-2-yl(dipropyl)phosphane;dichloride
SMILESCCCP(CCC)c1cc2ccccc2[cH-]1.[Cl-].[Cl-].[Hf+4].c1ccc2[cH-]ccc2c1
InChIInChI=1S/C15H20P.C9H7.2ClH.Hf/c1-3-9-16(10-4-2)15-11-13-7-5-6-8-14(13)12-15;1-2-5-9-7-3-6-8(9)4-1;;;/h5-8,11-12H,3-4,9-10H2,1-2H3;1-7H;2*1H;/q2*-1;;;+4/p-2
InChIKeyCLNQUBXWVBJCBE-UHFFFAOYSA-L
XLogP1.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500595.85
LogP ≤ 51.05
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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Frequently Asked Questions

What is the IUPAC name of hafnium(4+);1H-inden-1-ide;1H-inden-1-id-2-yl(dipropyl)phosphane;dichloride?
The IUPAC name of hafnium(4+);1H-inden-1-ide;1H-inden-1-id-2-yl(dipropyl)phosphane;dichloride (CID 21096230) is hafnium(4+);1H-inden-1-ide;1H-inden-1-id-2-yl(dipropyl)phosphane;dichloride.
What is the SMILES notation for hafnium(4+);1H-inden-1-ide;1H-inden-1-id-2-yl(dipropyl)phosphane;dichloride?
The canonical SMILES for hafnium(4+);1H-inden-1-ide;1H-inden-1-id-2-yl(dipropyl)phosphane;dichloride is CCCP(CCC)c1cc2ccccc2[cH-]1.[Cl-].[Cl-].[Hf+4].c1ccc2[cH-]ccc2c1.
What is the InChIKey of hafnium(4+);1H-inden-1-ide;1H-inden-1-id-2-yl(dipropyl)phosphane;dichloride?
The InChIKey is CLNQUBXWVBJCBE-UHFFFAOYSA-L. The full InChI is InChI=1S/C15H20P.C9H7.2ClH.Hf/c1-3-9-16(10-4-2)15-11-13-7-5-6-8-14(13)12-15;1-2-5-9-7-3-6-8(9)4-1;;;/h5-8,11-12H,3-4,9-10H2,1-2H3;1-7H;2*1H;/q2*-1;;;+4/p-2.
What are the key properties of hafnium(4+);1H-inden-1-ide;1H-inden-1-id-2-yl(dipropyl)phosphane;dichloride?
hafnium(4+);1H-inden-1-ide;1H-inden-1-id-2-yl(dipropyl)phosphane;dichloride has a molecular weight of 595.85 g/mol, XLogP of 1.05, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for hafnium(4+);1H-inden-1-ide;1H-inden-1-id-2-yl(dipropyl)phosphane;dichloride is sourced from PubChem (CID 21096230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).