N-[(4-propan-2-ylphenyl)methylideneamino]fluoren-9-imine

C23H20N2 — CID 69239599

IUPACN-[(4-propan-2-ylphenyl)methylideneamino]fluoren-9-imine
SMILESCC(C)c1ccc(C=NN=C2c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C23H20N2/c1-16(2)18-13-11-17(12-14-18)15-24-25-23-21-9-5-3-7-19(21)20-8-4-6-10-22(20)23/h3-16H,1-2H3
InChIKeyMIQGNGANAQBLNP-UHFFFAOYSA-N
MW324.43 g/mol
LogP5.66
Rot. Bonds3

About N-[(4-propan-2-ylphenyl)methylideneamino]fluoren-9-imine

N-[(4-propan-2-ylphenyl)methylideneamino]fluoren-9-imine (PubChem CID 69239599) has the molecular formula C23H20N2 and a molecular weight of 324.43 g/mol. Its IUPAC name is N-[(4-propan-2-ylphenyl)methylideneamino]fluoren-9-imine.

Molecular Properties

Compound NameN-[(4-propan-2-ylphenyl)methylideneamino]fluoren-9-imine
PubChem CID69239599
Molecular FormulaC23H20N2
Molecular Weight324.43 g/mol
Exact Mass324.16
IUPAC NameN-[(4-propan-2-ylphenyl)methylideneamino]fluoren-9-imine
SMILESCC(C)c1ccc(C=NN=C2c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C23H20N2/c1-16(2)18-13-11-17(12-14-18)15-24-25-23-21-9-5-3-7-19(21)20-8-4-6-10-22(20)23/h3-16H,1-2H3
InChIKeyMIQGNGANAQBLNP-UHFFFAOYSA-N
XLogP5.66
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.43
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 N-[(4-propan-2-ylphenyl)methylideneamino]fluoren-9-imine?
The IUPAC name of N-[(4-propan-2-ylphenyl)methylideneamino]fluoren-9-imine (CID 69239599) is N-[(4-propan-2-ylphenyl)methylideneamino]fluoren-9-imine.
What is the SMILES notation for N-[(4-propan-2-ylphenyl)methylideneamino]fluoren-9-imine?
The canonical SMILES for N-[(4-propan-2-ylphenyl)methylideneamino]fluoren-9-imine is CC(C)c1ccc(C=NN=C2c3ccccc3-c3ccccc32)cc1.
What is the InChIKey of N-[(4-propan-2-ylphenyl)methylideneamino]fluoren-9-imine?
The InChIKey is MIQGNGANAQBLNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2/c1-16(2)18-13-11-17(12-14-18)15-24-25-23-21-9-5-3-7-19(21)20-8-4-6-10-22(20)23/h3-16H,1-2H3.
What are the key properties of N-[(4-propan-2-ylphenyl)methylideneamino]fluoren-9-imine?
N-[(4-propan-2-ylphenyl)methylideneamino]fluoren-9-imine has a molecular weight of 324.43 g/mol, XLogP of 5.66, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-propan-2-ylphenyl)methylideneamino]fluoren-9-imine is sourced from PubChem (CID 69239599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).