N-[2-(4-ethoxyphenyl)ethylideneamino]fluoren-9-imine

C23H20N2O — CID 173137488

IUPACN-[2-(4-ethoxyphenyl)ethylideneamino]fluoren-9-imine
SMILESCCOc1ccc(CC=NN=C2c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C23H20N2O/c1-2-26-18-13-11-17(12-14-18)15-16-24-25-23-21-9-5-3-7-19(21)20-8-4-6-10-22(20)23/h3-14,16H,2,15H2,1H3
InChIKeyZITLSBLODGJTJL-UHFFFAOYSA-N
MW340.43 g/mol
LogP5.13
Rot. Bonds5

About N-[2-(4-ethoxyphenyl)ethylideneamino]fluoren-9-imine

N-[2-(4-ethoxyphenyl)ethylideneamino]fluoren-9-imine (PubChem CID 173137488) has the molecular formula C23H20N2O and a molecular weight of 340.43 g/mol. Its IUPAC name is N-[2-(4-ethoxyphenyl)ethylideneamino]fluoren-9-imine.

Molecular Properties

Compound NameN-[2-(4-ethoxyphenyl)ethylideneamino]fluoren-9-imine
PubChem CID173137488
Molecular FormulaC23H20N2O
Molecular Weight340.43 g/mol
Exact Mass340.16
IUPAC NameN-[2-(4-ethoxyphenyl)ethylideneamino]fluoren-9-imine
SMILESCCOc1ccc(CC=NN=C2c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C23H20N2O/c1-2-26-18-13-11-17(12-14-18)15-16-24-25-23-21-9-5-3-7-19(21)20-8-4-6-10-22(20)23/h3-14,16H,2,15H2,1H3
InChIKeyZITLSBLODGJTJL-UHFFFAOYSA-N
XLogP5.13
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.43
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-[2-(4-ethoxyphenyl)ethylideneamino]fluoren-9-imine?
The IUPAC name of N-[2-(4-ethoxyphenyl)ethylideneamino]fluoren-9-imine (CID 173137488) is N-[2-(4-ethoxyphenyl)ethylideneamino]fluoren-9-imine.
What is the SMILES notation for N-[2-(4-ethoxyphenyl)ethylideneamino]fluoren-9-imine?
The canonical SMILES for N-[2-(4-ethoxyphenyl)ethylideneamino]fluoren-9-imine is CCOc1ccc(CC=NN=C2c3ccccc3-c3ccccc32)cc1.
What is the InChIKey of N-[2-(4-ethoxyphenyl)ethylideneamino]fluoren-9-imine?
The InChIKey is ZITLSBLODGJTJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O/c1-2-26-18-13-11-17(12-14-18)15-16-24-25-23-21-9-5-3-7-19(21)20-8-4-6-10-22(20)23/h3-14,16H,2,15H2,1H3.
What are the key properties of N-[2-(4-ethoxyphenyl)ethylideneamino]fluoren-9-imine?
N-[2-(4-ethoxyphenyl)ethylideneamino]fluoren-9-imine has a molecular weight of 340.43 g/mol, XLogP of 5.13, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethoxyphenyl)ethylideneamino]fluoren-9-imine is sourced from PubChem (CID 173137488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).