1-cyclopenta-2,4-dien-1-yl-9H-fluorene;iron(3+);trihexafluorophosphate

C18H14F18FeP3 — CID 175851638

IUPAC1-cyclopenta-2,4-dien-1-yl-9H-fluorene;iron(3+);trihexafluorophosphate
SMILESC1=CC(c2cccc3c2Cc2ccccc2-3)C=C1.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Fe+3]
InChIInChI=1S/C18H14.3F6P.Fe/c1-2-7-13(6-1)15-10-5-11-17-16-9-4-3-8-14(16)12-18(15)17;3*1-7(2,3,4,5)6;/h1-11,13H,12H2;;;;/q;3*-1;+3
InChIKeyQLHCIWNXXQUUII-UHFFFAOYSA-N
MW721.04 g/mol
LogP14.61
Rot. Bonds1

About 1-cyclopenta-2,4-dien-1-yl-9H-fluorene;iron(3+);trihexafluorophosphate

1-cyclopenta-2,4-dien-1-yl-9H-fluorene;iron(3+);trihexafluorophosphate (PubChem CID 175851638) has the molecular formula C18H14F18FeP3 and a molecular weight of 721.04 g/mol. Its IUPAC name is 1-cyclopenta-2,4-dien-1-yl-9H-fluorene;iron(3+);trihexafluorophosphate.

Molecular Properties

Compound Name1-cyclopenta-2,4-dien-1-yl-9H-fluorene;iron(3+);trihexafluorophosphate
PubChem CID175851638
Molecular FormulaC18H14F18FeP3
Molecular Weight721.04 g/mol
Exact Mass720.94
IUPAC Name1-cyclopenta-2,4-dien-1-yl-9H-fluorene;iron(3+);trihexafluorophosphate
SMILESC1=CC(c2cccc3c2Cc2ccccc2-3)C=C1.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Fe+3]
InChIInChI=1S/C18H14.3F6P.Fe/c1-2-7-13(6-1)15-10-5-11-17-16-9-4-3-8-14(16)12-18(15)17;3*1-7(2,3,4,5)6;/h1-11,13H,12H2;;;;/q;3*-1;+3
InChIKeyQLHCIWNXXQUUII-UHFFFAOYSA-N
XLogP14.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500721.04
LogP ≤ 514.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopenta-2,4-dien-1-yl-9H-fluorene;iron(3+);trihexafluorophosphate?
The IUPAC name of 1-cyclopenta-2,4-dien-1-yl-9H-fluorene;iron(3+);trihexafluorophosphate (CID 175851638) is 1-cyclopenta-2,4-dien-1-yl-9H-fluorene;iron(3+);trihexafluorophosphate.
What is the SMILES notation for 1-cyclopenta-2,4-dien-1-yl-9H-fluorene;iron(3+);trihexafluorophosphate?
The canonical SMILES for 1-cyclopenta-2,4-dien-1-yl-9H-fluorene;iron(3+);trihexafluorophosphate is C1=CC(c2cccc3c2Cc2ccccc2-3)C=C1.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Fe+3].
What is the InChIKey of 1-cyclopenta-2,4-dien-1-yl-9H-fluorene;iron(3+);trihexafluorophosphate?
The InChIKey is QLHCIWNXXQUUII-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14.3F6P.Fe/c1-2-7-13(6-1)15-10-5-11-17-16-9-4-3-8-14(16)12-18(15)17;3*1-7(2,3,4,5)6;/h1-11,13H,12H2;;;;/q;3*-1;+3.
What are the key properties of 1-cyclopenta-2,4-dien-1-yl-9H-fluorene;iron(3+);trihexafluorophosphate?
1-cyclopenta-2,4-dien-1-yl-9H-fluorene;iron(3+);trihexafluorophosphate has a molecular weight of 721.04 g/mol, XLogP of 14.61, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopenta-2,4-dien-1-yl-9H-fluorene;iron(3+);trihexafluorophosphate is sourced from PubChem (CID 175851638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).