benzene;hafnium(4+);bis(1H-inden-1-ide);dihydrochloride

C30H26Cl2Hf — CID 87518498

IUPACbenzene;hafnium(4+);bis(1H-inden-1-ide);dihydrochloride
SMILESCl.Cl.[Hf+4].[c-]1ccccc1.[c-]1ccccc1.c1ccc2[cH-]ccc2c1.c1ccc2[cH-]ccc2c1
InChIInChI=1S/2C9H7.2C6H5.2ClH.Hf/c2*1-2-5-9-7-3-6-8(9)4-1;2*1-2-4-6-5-3-1;;;/h2*1-7H;2*1-5H;2*1H;/q4*-1;;;+4
InChIKeyKMIYAOKXOZOSGW-UHFFFAOYSA-N
MW635.93 g/mol
LogP8.93
Rot. Bonds

About benzene;hafnium(4+);bis(1H-inden-1-ide);dihydrochloride

benzene;hafnium(4+);bis(1H-inden-1-ide);dihydrochloride (PubChem CID 87518498) has the molecular formula C30H26Cl2Hf and a molecular weight of 635.93 g/mol. Its IUPAC name is benzene;hafnium(4+);bis(1H-inden-1-ide);dihydrochloride.

Molecular Properties

Compound Namebenzene;hafnium(4+);bis(1H-inden-1-ide);dihydrochloride
PubChem CID87518498
Molecular FormulaC30H26Cl2Hf
Molecular Weight635.93 g/mol
Exact Mass636.09
IUPAC Namebenzene;hafnium(4+);bis(1H-inden-1-ide);dihydrochloride
SMILESCl.Cl.[Hf+4].[c-]1ccccc1.[c-]1ccccc1.c1ccc2[cH-]ccc2c1.c1ccc2[cH-]ccc2c1
InChIInChI=1S/2C9H7.2C6H5.2ClH.Hf/c2*1-2-5-9-7-3-6-8(9)4-1;2*1-2-4-6-5-3-1;;;/h2*1-7H;2*1-5H;2*1H;/q4*-1;;;+4
InChIKeyKMIYAOKXOZOSGW-UHFFFAOYSA-N
XLogP8.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500635.93
LogP ≤ 58.93
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 benzene;hafnium(4+);bis(1H-inden-1-ide);dihydrochloride?
The IUPAC name of benzene;hafnium(4+);bis(1H-inden-1-ide);dihydrochloride (CID 87518498) is benzene;hafnium(4+);bis(1H-inden-1-ide);dihydrochloride.
What is the SMILES notation for benzene;hafnium(4+);bis(1H-inden-1-ide);dihydrochloride?
The canonical SMILES for benzene;hafnium(4+);bis(1H-inden-1-ide);dihydrochloride is Cl.Cl.[Hf+4].[c-]1ccccc1.[c-]1ccccc1.c1ccc2[cH-]ccc2c1.c1ccc2[cH-]ccc2c1.
What is the InChIKey of benzene;hafnium(4+);bis(1H-inden-1-ide);dihydrochloride?
The InChIKey is KMIYAOKXOZOSGW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H7.2C6H5.2ClH.Hf/c2*1-2-5-9-7-3-6-8(9)4-1;2*1-2-4-6-5-3-1;;;/h2*1-7H;2*1-5H;2*1H;/q4*-1;;;+4.
What are the key properties of benzene;hafnium(4+);bis(1H-inden-1-ide);dihydrochloride?
benzene;hafnium(4+);bis(1H-inden-1-ide);dihydrochloride has a molecular weight of 635.93 g/mol, XLogP of 8.93, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;hafnium(4+);bis(1H-inden-1-ide);dihydrochloride is sourced from PubChem (CID 87518498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).