(Z)-N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]fluoren-9-imine

C22H18N2O2 — CID 5408315

IUPAC(Z)-N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]fluoren-9-imine
SMILESCOc1ccc(/C=N\N=C2c3ccccc3-c3ccccc32)cc1OC
InChIInChI=1S/C22H18N2O2/c1-25-20-12-11-15(13-21(20)26-2)14-23-24-22-18-9-5-3-7-16(18)17-8-4-6-10-19(17)22/h3-14H,1-2H3/b23-14-
InChIKeyPKYBRJZWVUWFCJ-UCQKPKSFSA-N
MW342.40 g/mol
LogP4.56
Rot. Bonds4

About (Z)-N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]fluoren-9-imine

(Z)-N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]fluoren-9-imine (PubChem CID 5408315) has the molecular formula C22H18N2O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is (Z)-N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]fluoren-9-imine.

Molecular Properties

Compound Name(Z)-N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]fluoren-9-imine
PubChem CID5408315
Molecular FormulaC22H18N2O2
Molecular Weight342.40 g/mol
Exact Mass342.14
IUPAC Name(Z)-N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]fluoren-9-imine
SMILESCOc1ccc(/C=N\N=C2c3ccccc3-c3ccccc32)cc1OC
InChIInChI=1S/C22H18N2O2/c1-25-20-12-11-15(13-21(20)26-2)14-23-24-22-18-9-5-3-7-16(18)17-8-4-6-10-19(17)22/h3-14H,1-2H3/b23-14-
InChIKeyPKYBRJZWVUWFCJ-UCQKPKSFSA-N
XLogP4.56
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 54.56
H-Bond Donors ≤ 50
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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Related Compounds

2-[2-methoxy-4-[(Z)-[(Z)-(1-methyl-2-oxoindol-3-ylidene)hydrazinylidene]methyl]phenoxy]acetamide
CID 9213842
(E)-N-[(E)-(4-chlorophenyl)methylideneamino]fluoren-9-imine
CID 6907399
(3Z)-3-[(Z)-(3-hydroxy-4-methoxyphenyl)methylidenehydrazinylidene]-1-methylindol-2-one
CID 9214073
N-[(4-propan-2-ylphenyl)methylideneamino]fluoren-9-imine
CID 69239599
(Z)-1-(3,4-dimethoxyphenyl)-N-methoxymethanimine
CID 5375403
(5E)-5-benzylidene-2-[(3,4-dimethoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 137206991
(3Z)-3-[(3,4,5-trimethoxyphenyl)methylidenehydrazinylidene]-1H-indol-2-one
CID 135674247
(2Z)-2-[(E)-(3,4-dimethoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135454338
[4-[(Z)-[(Z)-(1-ethyl-2-oxoindol-3-ylidene)hydrazinylidene]methyl]-2-methoxyphenyl] cyclopropanecarboxylate
CID 9122525
N-ethyl-2-[2-methoxy-4-[(Z)-[(Z)-(1-methyl-2-oxoindol-3-ylidene)hydrazinylidene]methyl]phenoxy]acetamide
CID 9213838
(2Z)-2-[(E)-(3,4-dimethoxyphenyl)methylidenehydrazinylidene]-5-phenyl-1,3-thiazolidin-4-one
CID 135942078
1-(3,4-dimethoxyphenyl)-N-[4-(9H-fluoren-9-yl)piperazin-1-yl]methanimine
CID 1388051

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]fluoren-9-imine?
The IUPAC name of (Z)-N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]fluoren-9-imine (CID 5408315) is (Z)-N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]fluoren-9-imine.
What is the SMILES notation for (Z)-N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]fluoren-9-imine?
The canonical SMILES for (Z)-N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]fluoren-9-imine is COc1ccc(/C=N\N=C2c3ccccc3-c3ccccc32)cc1OC.
What is the InChIKey of (Z)-N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]fluoren-9-imine?
The InChIKey is PKYBRJZWVUWFCJ-UCQKPKSFSA-N. The full InChI is InChI=1S/C22H18N2O2/c1-25-20-12-11-15(13-21(20)26-2)14-23-24-22-18-9-5-3-7-16(18)17-8-4-6-10-19(17)22/h3-14H,1-2H3/b23-14-.
What are the key properties of (Z)-N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]fluoren-9-imine?
(Z)-N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]fluoren-9-imine has a molecular weight of 342.40 g/mol, XLogP of 4.56, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]fluoren-9-imine is sourced from PubChem (CID 5408315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).