N-[2-(4-ethoxyphenyl)ethylideneamino]fluoren-9-imine;N-[1-(4-methylphenyl)ethylideneamino]fluoren-9-imine

C45H38N4O — CID 173137487

IUPACN-[2-(4-ethoxyphenyl)ethylideneamino]fluoren-9-imine;N-[1-(4-methylphenyl)ethylideneamino]fluoren-9-imine
SMILESCC(=NN=C1c2ccccc2-c2ccccc21)c1ccc(C)cc1.CCOc1ccc(CC=NN=C2c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C23H20N2O.C22H18N2/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;1-15-11-13-17(14-12-15)16(2)23-24-22-20-9-5-3-7-18(20)19-8-4-6-10-21(19)22/h3-14,16H,2,15H2,1H3;3-14H,1-2H3
InChIKeyALPOXIPBRBWUQU-UHFFFAOYSA-N
MW650.83 g/mol
LogP10.37
Rot. Bonds7

About N-[2-(4-ethoxyphenyl)ethylideneamino]fluoren-9-imine;N-[1-(4-methylphenyl)ethylideneamino]fluoren-9-imine

N-[2-(4-ethoxyphenyl)ethylideneamino]fluoren-9-imine;N-[1-(4-methylphenyl)ethylideneamino]fluoren-9-imine (PubChem CID 173137487) has the molecular formula C45H38N4O and a molecular weight of 650.83 g/mol. Its IUPAC name is N-[2-(4-ethoxyphenyl)ethylideneamino]fluoren-9-imine;N-[1-(4-methylphenyl)ethylideneamino]fluoren-9-imine.

Molecular Properties

Compound NameN-[2-(4-ethoxyphenyl)ethylideneamino]fluoren-9-imine;N-[1-(4-methylphenyl)ethylideneamino]fluoren-9-imine
PubChem CID173137487
Molecular FormulaC45H38N4O
Molecular Weight650.83 g/mol
Exact Mass650.30
IUPAC NameN-[2-(4-ethoxyphenyl)ethylideneamino]fluoren-9-imine;N-[1-(4-methylphenyl)ethylideneamino]fluoren-9-imine
SMILESCC(=NN=C1c2ccccc2-c2ccccc21)c1ccc(C)cc1.CCOc1ccc(CC=NN=C2c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C23H20N2O.C22H18N2/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;1-15-11-13-17(14-12-15)16(2)23-24-22-20-9-5-3-7-18(20)19-8-4-6-10-21(19)22/h3-14,16H,2,15H2,1H3;3-14H,1-2H3
InChIKeyALPOXIPBRBWUQU-UHFFFAOYSA-N
XLogP10.37
TPSA58.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500650.83
LogP ≤ 510.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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Related Compounds

N-[2-(4-ethoxyphenyl)ethylideneamino]fluoren-9-imine
CID 173137488
N-[1-(4-methylphenyl)ethylideneamino]fluoren-9-imine
CID 76538322
1-(4-ethoxyphenyl)-N-phenylmethoxyethanimine
CID 141463783
(NZ)-N-[1-(4-ethoxyphenyl)ethylidene]hydroxylamine
CID 6161397
1-(4-ethoxyphenyl)-3-(4-methylphenyl)propane-1,3-dione
CID 18428766
1-ethoxy-4-[3-(4-methylphenyl)prop-1-enyl]benzene
CID 58664971
1-(4-ethoxyphenyl)ethylidenehydrazine
CID 937394
2-[4-[[4-[[2-[4-[[4-[[2-[4-[[4-[[2-(4-ethoxyphenyl)-2-phenylethenylidene]amino]phenyl]methoxy]phenyl]-2-phenylethenylidene]amino]phenyl]methoxy]phenyl]-2-phenylethenylidene]amino]phenyl]methoxy]phenyl]-N-(4-methylphenyl)-2-phenylethenimine
CID 118909885
N-[1-(4-ethoxyphenyl)ethylideneamino]benzamide
CID 912000
1,2,4,5-tetrakis[2-(4-ethoxyphenyl)phenyl]benzene
CID 59789051
N-[(E)-2-(4-ethoxyphenyl)-2-phenylethenyl]-4-methylbenzenesulfonamide
CID 122398699
4-ethoxy-N-[(4-methylphenyl)methylideneamino]benzamide
CID 4249365

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethoxyphenyl)ethylideneamino]fluoren-9-imine;N-[1-(4-methylphenyl)ethylideneamino]fluoren-9-imine?
The IUPAC name of N-[2-(4-ethoxyphenyl)ethylideneamino]fluoren-9-imine;N-[1-(4-methylphenyl)ethylideneamino]fluoren-9-imine (CID 173137487) is N-[2-(4-ethoxyphenyl)ethylideneamino]fluoren-9-imine;N-[1-(4-methylphenyl)ethylideneamino]fluoren-9-imine.
What is the SMILES notation for N-[2-(4-ethoxyphenyl)ethylideneamino]fluoren-9-imine;N-[1-(4-methylphenyl)ethylideneamino]fluoren-9-imine?
The canonical SMILES for N-[2-(4-ethoxyphenyl)ethylideneamino]fluoren-9-imine;N-[1-(4-methylphenyl)ethylideneamino]fluoren-9-imine is CC(=NN=C1c2ccccc2-c2ccccc21)c1ccc(C)cc1.CCOc1ccc(CC=NN=C2c3ccccc3-c3ccccc32)cc1.
What is the InChIKey of N-[2-(4-ethoxyphenyl)ethylideneamino]fluoren-9-imine;N-[1-(4-methylphenyl)ethylideneamino]fluoren-9-imine?
The InChIKey is ALPOXIPBRBWUQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O.C22H18N2/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;1-15-11-13-17(14-12-15)16(2)23-24-22-20-9-5-3-7-18(20)19-8-4-6-10-21(19)22/h3-14,16H,2,15H2,1H3;3-14H,1-2H3.
What are the key properties of N-[2-(4-ethoxyphenyl)ethylideneamino]fluoren-9-imine;N-[1-(4-methylphenyl)ethylideneamino]fluoren-9-imine?
N-[2-(4-ethoxyphenyl)ethylideneamino]fluoren-9-imine;N-[1-(4-methylphenyl)ethylideneamino]fluoren-9-imine has a molecular weight of 650.83 g/mol, XLogP of 10.37, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethoxyphenyl)ethylideneamino]fluoren-9-imine;N-[1-(4-methylphenyl)ethylideneamino]fluoren-9-imine is sourced from PubChem (CID 173137487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).