[(E)-[1H-fluoren-1-ylium-9-yl(phenyl)methylidene]amino]-trifluoroboranuide

C20H13BF3N — CID 138962625

IUPAC[(E)-[1H-fluoren-1-ylium-9-yl(phenyl)methylidene]amino]-trifluoroboranuide
SMILESF[B-](F)(F)/N=C(/C1=C2[CH+]C=CC=C2c2ccccc21)c1ccccc1
InChIInChI=1S/C20H13BF3N/c22-21(23,24)25-20(14-8-2-1-3-9-14)19-17-12-6-4-10-15(17)16-11-5-7-13-18(16)19/h1-13H/b25-20+
InChIKeyZRNDHAMUMYTHNK-LKUDQCMESA-N
MW335.14 g/mol
LogP5.44
Rot. Bonds3

About [(E)-[1H-fluoren-1-ylium-9-yl(phenyl)methylidene]amino]-trifluoroboranuide

[(E)-[1H-fluoren-1-ylium-9-yl(phenyl)methylidene]amino]-trifluoroboranuide (PubChem CID 138962625) has the molecular formula C20H13BF3N and a molecular weight of 335.14 g/mol. Its IUPAC name is [(E)-[1H-fluoren-1-ylium-9-yl(phenyl)methylidene]amino]-trifluoroboranuide.

Molecular Properties

Compound Name[(E)-[1H-fluoren-1-ylium-9-yl(phenyl)methylidene]amino]-trifluoroboranuide
PubChem CID138962625
Molecular FormulaC20H13BF3N
Molecular Weight335.14 g/mol
Exact Mass335.11
IUPAC Name[(E)-[1H-fluoren-1-ylium-9-yl(phenyl)methylidene]amino]-trifluoroboranuide
SMILESF[B-](F)(F)/N=C(/C1=C2[CH+]C=CC=C2c2ccccc21)c1ccccc1
InChIInChI=1S/C20H13BF3N/c22-21(23,24)25-20(14-8-2-1-3-9-14)19-17-12-6-4-10-15(17)16-11-5-7-13-18(16)19/h1-13H/b25-20+
InChIKeyZRNDHAMUMYTHNK-LKUDQCMESA-N
XLogP5.44
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.14
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(E)-[1H-fluoren-1-ylium-9-yl(phenyl)methylidene]amino]-trifluoroboranuide?
The IUPAC name of [(E)-[1H-fluoren-1-ylium-9-yl(phenyl)methylidene]amino]-trifluoroboranuide (CID 138962625) is [(E)-[1H-fluoren-1-ylium-9-yl(phenyl)methylidene]amino]-trifluoroboranuide.
What is the SMILES notation for [(E)-[1H-fluoren-1-ylium-9-yl(phenyl)methylidene]amino]-trifluoroboranuide?
The canonical SMILES for [(E)-[1H-fluoren-1-ylium-9-yl(phenyl)methylidene]amino]-trifluoroboranuide is F[B-](F)(F)/N=C(/C1=C2[CH+]C=CC=C2c2ccccc21)c1ccccc1.
What is the InChIKey of [(E)-[1H-fluoren-1-ylium-9-yl(phenyl)methylidene]amino]-trifluoroboranuide?
The InChIKey is ZRNDHAMUMYTHNK-LKUDQCMESA-N. The full InChI is InChI=1S/C20H13BF3N/c22-21(23,24)25-20(14-8-2-1-3-9-14)19-17-12-6-4-10-15(17)16-11-5-7-13-18(16)19/h1-13H/b25-20+.
What are the key properties of [(E)-[1H-fluoren-1-ylium-9-yl(phenyl)methylidene]amino]-trifluoroboranuide?
[(E)-[1H-fluoren-1-ylium-9-yl(phenyl)methylidene]amino]-trifluoroboranuide has a molecular weight of 335.14 g/mol, XLogP of 5.44, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-[1H-fluoren-1-ylium-9-yl(phenyl)methylidene]amino]-trifluoroboranuide is sourced from PubChem (CID 138962625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).