4-fluoro-N-[(E)-[7-[(E)-[(4-fluorophenyl)hydrazinylidene]methyl]-9,9-dimethylfluoren-2-yl]methylideneamino]aniline

C29H24F2N4 — CID 137394491

IUPAC4-fluoro-N-[(E)-[7-[(E)-[(4-fluorophenyl)hydrazinylidene]methyl]-9,9-dimethylfluoren-2-yl]methylideneamino]aniline
SMILESCC1(C)c2cc(/C=N/Nc3ccc(F)cc3)ccc2-c2ccc(/C=N/Nc3ccc(F)cc3)cc21
InChIInChI=1S/C29H24F2N4/c1-29(2)27-15-19(17-32-34-23-9-5-21(30)6-10-23)3-13-25(27)26-14-4-20(16-28(26)29)18-33-35-24-11-7-22(31)8-12-24/h3-18,34-35H,1-2H3/b32-17+,33-18+
InChIKeyQFOOIDODUWUFEK-NIRJMVPRSA-N
MW466.54 g/mol
LogP7.16
Rot. Bonds6

About 4-fluoro-N-[(E)-[7-[(E)-[(4-fluorophenyl)hydrazinylidene]methyl]-9,9-dimethylfluoren-2-yl]methylideneamino]aniline

4-fluoro-N-[(E)-[7-[(E)-[(4-fluorophenyl)hydrazinylidene]methyl]-9,9-dimethylfluoren-2-yl]methylideneamino]aniline (PubChem CID 137394491) has the molecular formula C29H24F2N4 and a molecular weight of 466.54 g/mol. Its IUPAC name is 4-fluoro-N-[(E)-[7-[(E)-[(4-fluorophenyl)hydrazinylidene]methyl]-9,9-dimethylfluoren-2-yl]methylideneamino]aniline.

Molecular Properties

Compound Name4-fluoro-N-[(E)-[7-[(E)-[(4-fluorophenyl)hydrazinylidene]methyl]-9,9-dimethylfluoren-2-yl]methylideneamino]aniline
PubChem CID137394491
Molecular FormulaC29H24F2N4
Molecular Weight466.54 g/mol
Exact Mass466.20
IUPAC Name4-fluoro-N-[(E)-[7-[(E)-[(4-fluorophenyl)hydrazinylidene]methyl]-9,9-dimethylfluoren-2-yl]methylideneamino]aniline
SMILESCC1(C)c2cc(/C=N/Nc3ccc(F)cc3)ccc2-c2ccc(/C=N/Nc3ccc(F)cc3)cc21
InChIInChI=1S/C29H24F2N4/c1-29(2)27-15-19(17-32-34-23-9-5-21(30)6-10-23)3-13-25(27)26-14-4-20(16-28(26)29)18-33-35-24-11-7-22(31)8-12-24/h3-18,34-35H,1-2H3/b32-17+,33-18+
InChIKeyQFOOIDODUWUFEK-NIRJMVPRSA-N
XLogP7.16
TPSA48.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.54
LogP ≤ 57.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[(E)-[7-[(E)-[(4-fluorophenyl)hydrazinylidene]methyl]-9,9-dimethylfluoren-2-yl]methylideneamino]aniline?
The IUPAC name of 4-fluoro-N-[(E)-[7-[(E)-[(4-fluorophenyl)hydrazinylidene]methyl]-9,9-dimethylfluoren-2-yl]methylideneamino]aniline (CID 137394491) is 4-fluoro-N-[(E)-[7-[(E)-[(4-fluorophenyl)hydrazinylidene]methyl]-9,9-dimethylfluoren-2-yl]methylideneamino]aniline.
What is the SMILES notation for 4-fluoro-N-[(E)-[7-[(E)-[(4-fluorophenyl)hydrazinylidene]methyl]-9,9-dimethylfluoren-2-yl]methylideneamino]aniline?
The canonical SMILES for 4-fluoro-N-[(E)-[7-[(E)-[(4-fluorophenyl)hydrazinylidene]methyl]-9,9-dimethylfluoren-2-yl]methylideneamino]aniline is CC1(C)c2cc(/C=N/Nc3ccc(F)cc3)ccc2-c2ccc(/C=N/Nc3ccc(F)cc3)cc21.
What is the InChIKey of 4-fluoro-N-[(E)-[7-[(E)-[(4-fluorophenyl)hydrazinylidene]methyl]-9,9-dimethylfluoren-2-yl]methylideneamino]aniline?
The InChIKey is QFOOIDODUWUFEK-NIRJMVPRSA-N. The full InChI is InChI=1S/C29H24F2N4/c1-29(2)27-15-19(17-32-34-23-9-5-21(30)6-10-23)3-13-25(27)26-14-4-20(16-28(26)29)18-33-35-24-11-7-22(31)8-12-24/h3-18,34-35H,1-2H3/b32-17+,33-18+.
What are the key properties of 4-fluoro-N-[(E)-[7-[(E)-[(4-fluorophenyl)hydrazinylidene]methyl]-9,9-dimethylfluoren-2-yl]methylideneamino]aniline?
4-fluoro-N-[(E)-[7-[(E)-[(4-fluorophenyl)hydrazinylidene]methyl]-9,9-dimethylfluoren-2-yl]methylideneamino]aniline has a molecular weight of 466.54 g/mol, XLogP of 7.16, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[(E)-[7-[(E)-[(4-fluorophenyl)hydrazinylidene]methyl]-9,9-dimethylfluoren-2-yl]methylideneamino]aniline is sourced from PubChem (CID 137394491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).