1,9-dihydrofluoren-1-ide;ethene;hafnium;5-octylcyclopenta-1,3-diene

C28H34Hf-2 — CID 160759183

IUPAC1,9-dihydrofluoren-1-ide;ethene;hafnium;5-octylcyclopenta-1,3-diene
SMILESC=C.CCCCCCCC[c-]1cccc1.[Hf].[c-]1cccc2c1Cc1ccccc1-2
InChIInChI=1S/C13H9.C13H21.C2H4.Hf/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-2-3-4-5-6-7-10-13-11-8-9-12-13;1-2;/h1-5,7-8H,9H2;8-9,11-12H,2-7,10H2,1H3;1-2H2;/q2*-1;;
InChIKeyNQHFGIUMRYONJE-UHFFFAOYSA-N
MW549.07 g/mol
LogP8.17
Rot. Bonds7

About 1,9-dihydrofluoren-1-ide;ethene;hafnium;5-octylcyclopenta-1,3-diene

1,9-dihydrofluoren-1-ide;ethene;hafnium;5-octylcyclopenta-1,3-diene (PubChem CID 160759183) has the molecular formula C28H34Hf-2 and a molecular weight of 549.07 g/mol. Its IUPAC name is 1,9-dihydrofluoren-1-ide;ethene;hafnium;5-octylcyclopenta-1,3-diene.

Molecular Properties

Compound Name1,9-dihydrofluoren-1-ide;ethene;hafnium;5-octylcyclopenta-1,3-diene
PubChem CID160759183
Molecular FormulaC28H34Hf-2
Molecular Weight549.07 g/mol
Exact Mass550.21
IUPAC Name1,9-dihydrofluoren-1-ide;ethene;hafnium;5-octylcyclopenta-1,3-diene
SMILESC=C.CCCCCCCC[c-]1cccc1.[Hf].[c-]1cccc2c1Cc1ccccc1-2
InChIInChI=1S/C13H9.C13H21.C2H4.Hf/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-2-3-4-5-6-7-10-13-11-8-9-12-13;1-2;/h1-5,7-8H,9H2;8-9,11-12H,2-7,10H2,1H3;1-2H2;/q2*-1;;
InChIKeyNQHFGIUMRYONJE-UHFFFAOYSA-N
XLogP8.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500549.07
LogP ≤ 58.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

butane;1,9-dihydrofluoren-1-ide;titanium(4+)
CID 150363800
bis(1,9-dihydrofluoren-1-ide);ethane;titanium(4+)
CID 19698863
1,9-dihydrofluoren-1-ide;titanium(4+);trifluoride
CID 173097726
bis(1,9-dihydrofluoren-1-ide);zirconium(3+);trichloride
CID 157229521
1,9-dihydrofluoren-1-ide;vanadium(4+);trichloride
CID 173274804
1,9-dihydrofluoren-1-ide;zirconium(4+);tribromide
CID 173097773
bis(1,9-dihydrofluoren-1-ide);methane;zirconium(2+)
CID 22027323
CID 154493054
CID 154493054
9H-fluorene;henicosane
CID 174789372
CID 173188085
CID 173188085
dichloro(ethylidene)zirconium;bis(1,9-dihydrofluoren-1-ide)
CID 87137061
butane;carbanide;bis(1,9-dihydrofluoren-1-ide);silylidenezirconium;dihydrochloride
CID 173260999

Frequently Asked Questions

What is the IUPAC name of 1,9-dihydrofluoren-1-ide;ethene;hafnium;5-octylcyclopenta-1,3-diene?
The IUPAC name of 1,9-dihydrofluoren-1-ide;ethene;hafnium;5-octylcyclopenta-1,3-diene (CID 160759183) is 1,9-dihydrofluoren-1-ide;ethene;hafnium;5-octylcyclopenta-1,3-diene.
What is the SMILES notation for 1,9-dihydrofluoren-1-ide;ethene;hafnium;5-octylcyclopenta-1,3-diene?
The canonical SMILES for 1,9-dihydrofluoren-1-ide;ethene;hafnium;5-octylcyclopenta-1,3-diene is C=C.CCCCCCCC[c-]1cccc1.[Hf].[c-]1cccc2c1Cc1ccccc1-2.
What is the InChIKey of 1,9-dihydrofluoren-1-ide;ethene;hafnium;5-octylcyclopenta-1,3-diene?
The InChIKey is NQHFGIUMRYONJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9.C13H21.C2H4.Hf/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-2-3-4-5-6-7-10-13-11-8-9-12-13;1-2;/h1-5,7-8H,9H2;8-9,11-12H,2-7,10H2,1H3;1-2H2;/q2*-1;;.
What are the key properties of 1,9-dihydrofluoren-1-ide;ethene;hafnium;5-octylcyclopenta-1,3-diene?
1,9-dihydrofluoren-1-ide;ethene;hafnium;5-octylcyclopenta-1,3-diene has a molecular weight of 549.07 g/mol, XLogP of 8.17, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,9-dihydrofluoren-1-ide;ethene;hafnium;5-octylcyclopenta-1,3-diene is sourced from PubChem (CID 160759183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).