ethene;9H-fluoren-9-ide;hafnium;bis(1H-inden-1-ide)

C33H27Hf-3 — CID 173236911

IUPACethene;9H-fluoren-9-ide;hafnium;bis(1H-inden-1-ide)
SMILESC=C.[Hf].c1ccc2[cH-]ccc2c1.c1ccc2[cH-]ccc2c1.c1ccc2c(c1)[cH-]c1ccccc12
InChIInChI=1S/C13H9.2C9H7.C2H4.Hf/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;2*1-2-5-9-7-3-6-8(9)4-1;1-2;/h1-9H;2*1-7H;1-2H2;/q3*-1;;
InChIKeyLXCTTXUQJQOGII-UHFFFAOYSA-N
MW602.07 g/mol
LogP9.63
Rot. Bonds

About ethene;9H-fluoren-9-ide;hafnium;bis(1H-inden-1-ide)

ethene;9H-fluoren-9-ide;hafnium;bis(1H-inden-1-ide) (PubChem CID 173236911) has the molecular formula C33H27Hf-3 and a molecular weight of 602.07 g/mol. Its IUPAC name is ethene;9H-fluoren-9-ide;hafnium;bis(1H-inden-1-ide).

Molecular Properties

Compound Nameethene;9H-fluoren-9-ide;hafnium;bis(1H-inden-1-ide)
PubChem CID173236911
Molecular FormulaC33H27Hf-3
Molecular Weight602.07 g/mol
Exact Mass603.16
IUPAC Nameethene;9H-fluoren-9-ide;hafnium;bis(1H-inden-1-ide)
SMILESC=C.[Hf].c1ccc2[cH-]ccc2c1.c1ccc2[cH-]ccc2c1.c1ccc2c(c1)[cH-]c1ccccc12
InChIInChI=1S/C13H9.2C9H7.C2H4.Hf/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;2*1-2-5-9-7-3-6-8(9)4-1;1-2;/h1-9H;2*1-7H;1-2H2;/q3*-1;;
InChIKeyLXCTTXUQJQOGII-UHFFFAOYSA-N
XLogP9.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500602.07
LogP ≤ 59.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethene;9H-fluoren-9-ide;hafnium;bis(1H-inden-1-ide)?
The IUPAC name of ethene;9H-fluoren-9-ide;hafnium;bis(1H-inden-1-ide) (CID 173236911) is ethene;9H-fluoren-9-ide;hafnium;bis(1H-inden-1-ide).
What is the SMILES notation for ethene;9H-fluoren-9-ide;hafnium;bis(1H-inden-1-ide)?
The canonical SMILES for ethene;9H-fluoren-9-ide;hafnium;bis(1H-inden-1-ide) is C=C.[Hf].c1ccc2[cH-]ccc2c1.c1ccc2[cH-]ccc2c1.c1ccc2c(c1)[cH-]c1ccccc12.
What is the InChIKey of ethene;9H-fluoren-9-ide;hafnium;bis(1H-inden-1-ide)?
The InChIKey is LXCTTXUQJQOGII-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9.2C9H7.C2H4.Hf/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;2*1-2-5-9-7-3-6-8(9)4-1;1-2;/h1-9H;2*1-7H;1-2H2;/q3*-1;;.
What are the key properties of ethene;9H-fluoren-9-ide;hafnium;bis(1H-inden-1-ide)?
ethene;9H-fluoren-9-ide;hafnium;bis(1H-inden-1-ide) has a molecular weight of 602.07 g/mol, XLogP of 9.63, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;9H-fluoren-9-ide;hafnium;bis(1H-inden-1-ide) is sourced from PubChem (CID 173236911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).