11H-benzo[b]fluoren-11-ide;1-ethyl-1H-indene;hafnium;dichloride

C28H23Cl2Hf-3 — CID 173283865

IUPAC11H-benzo[b]fluoren-11-ide;1-ethyl-1H-indene;hafnium;dichloride
SMILESCCC1C=Cc2ccccc21.[Cl-].[Cl-].[Hf].c1ccc2cc3c(cc2c1)[cH-]c1ccccc13
InChIInChI=1S/C17H11.C11H12.2ClH.Hf/c1-2-6-13-11-17-15(9-12(13)5-1)10-14-7-3-4-8-16(14)17;1-2-9-7-8-10-5-3-4-6-11(9)10;;;/h1-11H;3-9H,2H2,1H3;2*1H;/q-1;;;;/p-2
InChIKeyODLSGOXZVDZYOO-UHFFFAOYSA-L
MW608.89 g/mol
LogP2.08
Rot. Bonds1

About 11H-benzo[b]fluoren-11-ide;1-ethyl-1H-indene;hafnium;dichloride

11H-benzo[b]fluoren-11-ide;1-ethyl-1H-indene;hafnium;dichloride (PubChem CID 173283865) has the molecular formula C28H23Cl2Hf-3 and a molecular weight of 608.89 g/mol. Its IUPAC name is 11H-benzo[b]fluoren-11-ide;1-ethyl-1H-indene;hafnium;dichloride.

Molecular Properties

Compound Name11H-benzo[b]fluoren-11-ide;1-ethyl-1H-indene;hafnium;dichloride
PubChem CID173283865
Molecular FormulaC28H23Cl2Hf-3
Molecular Weight608.89 g/mol
Exact Mass609.07
IUPAC Name11H-benzo[b]fluoren-11-ide;1-ethyl-1H-indene;hafnium;dichloride
SMILESCCC1C=Cc2ccccc21.[Cl-].[Cl-].[Hf].c1ccc2cc3c(cc2c1)[cH-]c1ccccc13
InChIInChI=1S/C17H11.C11H12.2ClH.Hf/c1-2-6-13-11-17-15(9-12(13)5-1)10-14-7-3-4-8-16(14)17;1-2-9-7-8-10-5-3-4-6-11(9)10;;;/h1-11H;3-9H,2H2,1H3;2*1H;/q-1;;;;/p-2
InChIKeyODLSGOXZVDZYOO-UHFFFAOYSA-L
XLogP2.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500608.89
LogP ≤ 52.08
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 11H-benzo[b]fluoren-11-ide;1-ethyl-1H-indene;hafnium;dichloride?
The IUPAC name of 11H-benzo[b]fluoren-11-ide;1-ethyl-1H-indene;hafnium;dichloride (CID 173283865) is 11H-benzo[b]fluoren-11-ide;1-ethyl-1H-indene;hafnium;dichloride.
What is the SMILES notation for 11H-benzo[b]fluoren-11-ide;1-ethyl-1H-indene;hafnium;dichloride?
The canonical SMILES for 11H-benzo[b]fluoren-11-ide;1-ethyl-1H-indene;hafnium;dichloride is CCC1C=Cc2ccccc21.[Cl-].[Cl-].[Hf].c1ccc2cc3c(cc2c1)[cH-]c1ccccc13.
What is the InChIKey of 11H-benzo[b]fluoren-11-ide;1-ethyl-1H-indene;hafnium;dichloride?
The InChIKey is ODLSGOXZVDZYOO-UHFFFAOYSA-L. The full InChI is InChI=1S/C17H11.C11H12.2ClH.Hf/c1-2-6-13-11-17-15(9-12(13)5-1)10-14-7-3-4-8-16(14)17;1-2-9-7-8-10-5-3-4-6-11(9)10;;;/h1-11H;3-9H,2H2,1H3;2*1H;/q-1;;;;/p-2.
What are the key properties of 11H-benzo[b]fluoren-11-ide;1-ethyl-1H-indene;hafnium;dichloride?
11H-benzo[b]fluoren-11-ide;1-ethyl-1H-indene;hafnium;dichloride has a molecular weight of 608.89 g/mol, XLogP of 2.08, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 11H-benzo[b]fluoren-11-ide;1-ethyl-1H-indene;hafnium;dichloride is sourced from PubChem (CID 173283865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).