benzhydrylidenehafnium(2+);bis(1H-inden-1-ide);dichloride

C31H24Cl2Hf-2 — CID 18358747

IUPACbenzhydrylidenehafnium(2+);bis(1H-inden-1-ide);dichloride
SMILES[Cl-].[Cl-].[Hf+2]=C(c1ccccc1)c1ccccc1.c1ccc2[cH-]ccc2c1.c1ccc2[cH-]ccc2c1
InChIInChI=1S/C13H10.2C9H7.2ClH.Hf/c1-3-7-12(8-4-1)11-13-9-5-2-6-10-13;2*1-2-5-9-7-3-6-8(9)4-1;;;/h1-10H;2*1-7H;2*1H;/q;2*-1;;;+2/p-2
InChIKeyIILYZCMMHQFQHB-UHFFFAOYSA-L
MW645.93 g/mol
LogP1.93
Rot. Bonds2

About benzhydrylidenehafnium(2+);bis(1H-inden-1-ide);dichloride

benzhydrylidenehafnium(2+);bis(1H-inden-1-ide);dichloride (PubChem CID 18358747) has the molecular formula C31H24Cl2Hf-2 and a molecular weight of 645.93 g/mol. Its IUPAC name is benzhydrylidenehafnium(2+);bis(1H-inden-1-ide);dichloride.

Molecular Properties

Compound Namebenzhydrylidenehafnium(2+);bis(1H-inden-1-ide);dichloride
PubChem CID18358747
Molecular FormulaC31H24Cl2Hf-2
Molecular Weight645.93 g/mol
Exact Mass646.07
IUPAC Namebenzhydrylidenehafnium(2+);bis(1H-inden-1-ide);dichloride
SMILES[Cl-].[Cl-].[Hf+2]=C(c1ccccc1)c1ccccc1.c1ccc2[cH-]ccc2c1.c1ccc2[cH-]ccc2c1
InChIInChI=1S/C13H10.2C9H7.2ClH.Hf/c1-3-7-12(8-4-1)11-13-9-5-2-6-10-13;2*1-2-5-9-7-3-6-8(9)4-1;;;/h1-10H;2*1-7H;2*1H;/q;2*-1;;;+2/p-2
InChIKeyIILYZCMMHQFQHB-UHFFFAOYSA-L
XLogP1.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500645.93
LogP ≤ 51.93
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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Frequently Asked Questions

What is the IUPAC name of benzhydrylidenehafnium(2+);bis(1H-inden-1-ide);dichloride?
The IUPAC name of benzhydrylidenehafnium(2+);bis(1H-inden-1-ide);dichloride (CID 18358747) is benzhydrylidenehafnium(2+);bis(1H-inden-1-ide);dichloride.
What is the SMILES notation for benzhydrylidenehafnium(2+);bis(1H-inden-1-ide);dichloride?
The canonical SMILES for benzhydrylidenehafnium(2+);bis(1H-inden-1-ide);dichloride is [Cl-].[Cl-].[Hf+2]=C(c1ccccc1)c1ccccc1.c1ccc2[cH-]ccc2c1.c1ccc2[cH-]ccc2c1.
What is the InChIKey of benzhydrylidenehafnium(2+);bis(1H-inden-1-ide);dichloride?
The InChIKey is IILYZCMMHQFQHB-UHFFFAOYSA-L. The full InChI is InChI=1S/C13H10.2C9H7.2ClH.Hf/c1-3-7-12(8-4-1)11-13-9-5-2-6-10-13;2*1-2-5-9-7-3-6-8(9)4-1;;;/h1-10H;2*1-7H;2*1H;/q;2*-1;;;+2/p-2.
What are the key properties of benzhydrylidenehafnium(2+);bis(1H-inden-1-ide);dichloride?
benzhydrylidenehafnium(2+);bis(1H-inden-1-ide);dichloride has a molecular weight of 645.93 g/mol, XLogP of 1.93, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzhydrylidenehafnium(2+);bis(1H-inden-1-ide);dichloride is sourced from PubChem (CID 18358747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).