hafnium(4+);1-propan-2-yl-1,2-dihydroinden-2-ide;4,5,6,7-tetrahydro-1H-inden-1-ide;dibromide

C21H24Br2Hf — CID 158526037

IUPAChafnium(4+);1-propan-2-yl-1,2-dihydroinden-2-ide;4,5,6,7-tetrahydro-1H-inden-1-ide;dibromide
SMILESCC(C)C1[C-]=Cc2ccccc21.[Br-].[Br-].[Hf+4].c1cc2c([cH-]1)CCCC2
InChIInChI=1S/C12H13.C9H11.2BrH.Hf/c1-9(2)11-8-7-10-5-3-4-6-12(10)11;1-2-5-9-7-3-6-8(9)4-1;;;/h3-7,9,11H,1-2H3;3,6-7H,1-2,4-5H2;2*1H;/q2*-1;;;+4/p-2
InChIKeyLVDPERFHCRTSLY-UHFFFAOYSA-L
MW614.72 g/mol
LogP-0.45
Rot. Bonds1

About hafnium(4+);1-propan-2-yl-1,2-dihydroinden-2-ide;4,5,6,7-tetrahydro-1H-inden-1-ide;dibromide

hafnium(4+);1-propan-2-yl-1,2-dihydroinden-2-ide;4,5,6,7-tetrahydro-1H-inden-1-ide;dibromide (PubChem CID 158526037) has the molecular formula C21H24Br2Hf and a molecular weight of 614.72 g/mol. Its IUPAC name is hafnium(4+);1-propan-2-yl-1,2-dihydroinden-2-ide;4,5,6,7-tetrahydro-1H-inden-1-ide;dibromide.

Molecular Properties

Compound Namehafnium(4+);1-propan-2-yl-1,2-dihydroinden-2-ide;4,5,6,7-tetrahydro-1H-inden-1-ide;dibromide
PubChem CID158526037
Molecular FormulaC21H24Br2Hf
Molecular Weight614.72 g/mol
Exact Mass613.97
IUPAC Namehafnium(4+);1-propan-2-yl-1,2-dihydroinden-2-ide;4,5,6,7-tetrahydro-1H-inden-1-ide;dibromide
SMILESCC(C)C1[C-]=Cc2ccccc21.[Br-].[Br-].[Hf+4].c1cc2c([cH-]1)CCCC2
InChIInChI=1S/C12H13.C9H11.2BrH.Hf/c1-9(2)11-8-7-10-5-3-4-6-12(10)11;1-2-5-9-7-3-6-8(9)4-1;;;/h3-7,9,11H,1-2H3;3,6-7H,1-2,4-5H2;2*1H;/q2*-1;;;+4/p-2
InChIKeyLVDPERFHCRTSLY-UHFFFAOYSA-L
XLogP-0.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500614.72
LogP ≤ 5-0.45
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

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Frequently Asked Questions

What is the IUPAC name of hafnium(4+);1-propan-2-yl-1,2-dihydroinden-2-ide;4,5,6,7-tetrahydro-1H-inden-1-ide;dibromide?
The IUPAC name of hafnium(4+);1-propan-2-yl-1,2-dihydroinden-2-ide;4,5,6,7-tetrahydro-1H-inden-1-ide;dibromide (CID 158526037) is hafnium(4+);1-propan-2-yl-1,2-dihydroinden-2-ide;4,5,6,7-tetrahydro-1H-inden-1-ide;dibromide.
What is the SMILES notation for hafnium(4+);1-propan-2-yl-1,2-dihydroinden-2-ide;4,5,6,7-tetrahydro-1H-inden-1-ide;dibromide?
The canonical SMILES for hafnium(4+);1-propan-2-yl-1,2-dihydroinden-2-ide;4,5,6,7-tetrahydro-1H-inden-1-ide;dibromide is CC(C)C1[C-]=Cc2ccccc21.[Br-].[Br-].[Hf+4].c1cc2c([cH-]1)CCCC2.
What is the InChIKey of hafnium(4+);1-propan-2-yl-1,2-dihydroinden-2-ide;4,5,6,7-tetrahydro-1H-inden-1-ide;dibromide?
The InChIKey is LVDPERFHCRTSLY-UHFFFAOYSA-L. The full InChI is InChI=1S/C12H13.C9H11.2BrH.Hf/c1-9(2)11-8-7-10-5-3-4-6-12(10)11;1-2-5-9-7-3-6-8(9)4-1;;;/h3-7,9,11H,1-2H3;3,6-7H,1-2,4-5H2;2*1H;/q2*-1;;;+4/p-2.
What are the key properties of hafnium(4+);1-propan-2-yl-1,2-dihydroinden-2-ide;4,5,6,7-tetrahydro-1H-inden-1-ide;dibromide?
hafnium(4+);1-propan-2-yl-1,2-dihydroinden-2-ide;4,5,6,7-tetrahydro-1H-inden-1-ide;dibromide has a molecular weight of 614.72 g/mol, XLogP of -0.45, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for hafnium(4+);1-propan-2-yl-1,2-dihydroinden-2-ide;4,5,6,7-tetrahydro-1H-inden-1-ide;dibromide is sourced from PubChem (CID 158526037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).