N-[(E)-2-phenylethenyl]fluoren-9-imine oxide

C21H15NO — CID 134845980

IUPACN-[(E)-2-phenylethenyl]fluoren-9-imine oxide
SMILES[O-][N+](/C=C/c1ccccc1)=C1c2ccccc2-c2ccccc21
InChIInChI=1S/C21H15NO/c23-22(15-14-16-8-2-1-3-9-16)21-19-12-6-4-10-17(19)18-11-5-7-13-20(18)21/h1-15H/b15-14+
InChIKeyOQNRPVMSWGQXLB-CCEZHUSRSA-N
MW297.36 g/mol
LogP4.69
Rot. Bonds2

About N-[(E)-2-phenylethenyl]fluoren-9-imine oxide

N-[(E)-2-phenylethenyl]fluoren-9-imine oxide (PubChem CID 134845980) has the molecular formula C21H15NO and a molecular weight of 297.36 g/mol. Its IUPAC name is N-[(E)-2-phenylethenyl]fluoren-9-imine oxide.

Molecular Properties

Compound NameN-[(E)-2-phenylethenyl]fluoren-9-imine oxide
PubChem CID134845980
Molecular FormulaC21H15NO
Molecular Weight297.36 g/mol
Exact Mass297.12
IUPAC NameN-[(E)-2-phenylethenyl]fluoren-9-imine oxide
SMILES[O-][N+](/C=C/c1ccccc1)=C1c2ccccc2-c2ccccc21
InChIInChI=1S/C21H15NO/c23-22(15-14-16-8-2-1-3-9-16)21-19-12-6-4-10-17(19)18-11-5-7-13-20(18)21/h1-15H/b15-14+
InChIKeyOQNRPVMSWGQXLB-CCEZHUSRSA-N
XLogP4.69
TPSA26.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-2-phenylethenyl]fluoren-9-imine oxide?
The IUPAC name of N-[(E)-2-phenylethenyl]fluoren-9-imine oxide (CID 134845980) is N-[(E)-2-phenylethenyl]fluoren-9-imine oxide.
What is the SMILES notation for N-[(E)-2-phenylethenyl]fluoren-9-imine oxide?
The canonical SMILES for N-[(E)-2-phenylethenyl]fluoren-9-imine oxide is [O-][N+](/C=C/c1ccccc1)=C1c2ccccc2-c2ccccc21.
What is the InChIKey of N-[(E)-2-phenylethenyl]fluoren-9-imine oxide?
The InChIKey is OQNRPVMSWGQXLB-CCEZHUSRSA-N. The full InChI is InChI=1S/C21H15NO/c23-22(15-14-16-8-2-1-3-9-16)21-19-12-6-4-10-17(19)18-11-5-7-13-20(18)21/h1-15H/b15-14+.
What are the key properties of N-[(E)-2-phenylethenyl]fluoren-9-imine oxide?
N-[(E)-2-phenylethenyl]fluoren-9-imine oxide has a molecular weight of 297.36 g/mol, XLogP of 4.69, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-2-phenylethenyl]fluoren-9-imine oxide is sourced from PubChem (CID 134845980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).