bis(1,9-dihydrofluoren-1-ide);1-phenylethylidenehafnium(2+)

C34H26Hf — CID 163641961

IUPACbis(1,9-dihydrofluoren-1-ide);1-phenylethylidenehafnium(2+)
SMILESCC(=[Hf+2])c1ccccc1.[c-]1cccc2c1Cc1ccccc1-2.[c-]1cccc2c1Cc1ccccc1-2
InChIInChI=1S/2C13H9.C8H8.Hf/c2*1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-2-8-6-4-3-5-7-8;/h2*1-5,7-8H,9H2;3-7H,1H3;/q2*-1;;+2
InChIKeyNBQMXSBPNFDLAV-UHFFFAOYSA-N
MW613.07 g/mol
LogP7.89
Rot. Bonds1

About bis(1,9-dihydrofluoren-1-ide);1-phenylethylidenehafnium(2+)

bis(1,9-dihydrofluoren-1-ide);1-phenylethylidenehafnium(2+) (PubChem CID 163641961) has the molecular formula C34H26Hf and a molecular weight of 613.07 g/mol. Its IUPAC name is bis(1,9-dihydrofluoren-1-ide);1-phenylethylidenehafnium(2+).

Molecular Properties

Compound Namebis(1,9-dihydrofluoren-1-ide);1-phenylethylidenehafnium(2+)
PubChem CID163641961
Molecular FormulaC34H26Hf
Molecular Weight613.07 g/mol
Exact Mass614.15
IUPAC Namebis(1,9-dihydrofluoren-1-ide);1-phenylethylidenehafnium(2+)
SMILESCC(=[Hf+2])c1ccccc1.[c-]1cccc2c1Cc1ccccc1-2.[c-]1cccc2c1Cc1ccccc1-2
InChIInChI=1S/2C13H9.C8H8.Hf/c2*1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-2-8-6-4-3-5-7-8;/h2*1-5,7-8H,9H2;3-7H,1H3;/q2*-1;;+2
InChIKeyNBQMXSBPNFDLAV-UHFFFAOYSA-N
XLogP7.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500613.07
LogP ≤ 57.89
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

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
bis(1,9-dihydrofluoren-1-ide);dimethylgermylidenezirconium(2+);dichloride
CID 159771388
carbanide;bis(1,9-dihydrofluoren-1-ide);dimethylsilylidenezirconium
CID 173275196
benzhydrylidenehafnium(2+);2-tert-butylcyclopenta-1,3-diene;1,9-dihydrofluoren-1-ide;dichloride
CID 157122090
butane;1,9-dihydrofluoren-1-ide;titanium(4+)
CID 150363800
2-tert-butylcyclopenta-1,3-diene;1,9-dihydrofluoren-1-ide;propan-2-ylidenehafnium(2+);dichloride
CID 158553450

Frequently Asked Questions

What is the IUPAC name of bis(1,9-dihydrofluoren-1-ide);1-phenylethylidenehafnium(2+)?
The IUPAC name of bis(1,9-dihydrofluoren-1-ide);1-phenylethylidenehafnium(2+) (CID 163641961) is bis(1,9-dihydrofluoren-1-ide);1-phenylethylidenehafnium(2+).
What is the SMILES notation for bis(1,9-dihydrofluoren-1-ide);1-phenylethylidenehafnium(2+)?
The canonical SMILES for bis(1,9-dihydrofluoren-1-ide);1-phenylethylidenehafnium(2+) is CC(=[Hf+2])c1ccccc1.[c-]1cccc2c1Cc1ccccc1-2.[c-]1cccc2c1Cc1ccccc1-2.
What is the InChIKey of bis(1,9-dihydrofluoren-1-ide);1-phenylethylidenehafnium(2+)?
The InChIKey is NBQMXSBPNFDLAV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H9.C8H8.Hf/c2*1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-2-8-6-4-3-5-7-8;/h2*1-5,7-8H,9H2;3-7H,1H3;/q2*-1;;+2.
What are the key properties of bis(1,9-dihydrofluoren-1-ide);1-phenylethylidenehafnium(2+)?
bis(1,9-dihydrofluoren-1-ide);1-phenylethylidenehafnium(2+) has a molecular weight of 613.07 g/mol, XLogP of 7.89, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1,9-dihydrofluoren-1-ide);1-phenylethylidenehafnium(2+) is sourced from PubChem (CID 163641961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).