4-[9-(4-aminophenyl)-2-fluorofluoren-9-yl]aniline

C25H19FN2 — CID 18790923

IUPAC4-[9-(4-aminophenyl)-2-fluorofluoren-9-yl]aniline
SMILESNc1ccc(C2(c3ccc(N)cc3)c3ccccc3-c3ccc(F)cc32)cc1
InChIInChI=1S/C25H19FN2/c26-18-9-14-22-21-3-1-2-4-23(21)25(24(22)15-18,16-5-10-19(27)11-6-16)17-7-12-20(28)13-8-17/h1-15H,27-28H2
InChIKeyJOISDWWDEXYHCG-UHFFFAOYSA-N
MW366.44 g/mol
LogP5.35
Rot. Bonds2

About 4-[9-(4-aminophenyl)-2-fluorofluoren-9-yl]aniline

4-[9-(4-aminophenyl)-2-fluorofluoren-9-yl]aniline (PubChem CID 18790923) has the molecular formula C25H19FN2 and a molecular weight of 366.44 g/mol. Its IUPAC name is 4-[9-(4-aminophenyl)-2-fluorofluoren-9-yl]aniline.

Molecular Properties

Compound Name4-[9-(4-aminophenyl)-2-fluorofluoren-9-yl]aniline
PubChem CID18790923
Molecular FormulaC25H19FN2
Molecular Weight366.44 g/mol
Exact Mass366.15
IUPAC Name4-[9-(4-aminophenyl)-2-fluorofluoren-9-yl]aniline
SMILESNc1ccc(C2(c3ccc(N)cc3)c3ccccc3-c3ccc(F)cc32)cc1
InChIInChI=1S/C25H19FN2/c26-18-9-14-22-21-3-1-2-4-23(21)25(24(22)15-18,16-5-10-19(27)11-6-16)17-7-12-20(28)13-8-17/h1-15H,27-28H2
InChIKeyJOISDWWDEXYHCG-UHFFFAOYSA-N
XLogP5.35
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.44
LogP ≤ 55.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_F(14)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[9-(4-aminophenyl)-2-fluorofluoren-9-yl]aniline?
The IUPAC name of 4-[9-(4-aminophenyl)-2-fluorofluoren-9-yl]aniline (CID 18790923) is 4-[9-(4-aminophenyl)-2-fluorofluoren-9-yl]aniline.
What is the SMILES notation for 4-[9-(4-aminophenyl)-2-fluorofluoren-9-yl]aniline?
The canonical SMILES for 4-[9-(4-aminophenyl)-2-fluorofluoren-9-yl]aniline is Nc1ccc(C2(c3ccc(N)cc3)c3ccccc3-c3ccc(F)cc32)cc1.
What is the InChIKey of 4-[9-(4-aminophenyl)-2-fluorofluoren-9-yl]aniline?
The InChIKey is JOISDWWDEXYHCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19FN2/c26-18-9-14-22-21-3-1-2-4-23(21)25(24(22)15-18,16-5-10-19(27)11-6-16)17-7-12-20(28)13-8-17/h1-15H,27-28H2.
What are the key properties of 4-[9-(4-aminophenyl)-2-fluorofluoren-9-yl]aniline?
4-[9-(4-aminophenyl)-2-fluorofluoren-9-yl]aniline has a molecular weight of 366.44 g/mol, XLogP of 5.35, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[9-(4-aminophenyl)-2-fluorofluoren-9-yl]aniline is sourced from PubChem (CID 18790923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).