(E)-N-[(E)-(4-chlorophenyl)methylideneamino]fluoren-9-imine

C20H13ClN2 — CID 6907399

IUPAC(E)-N-[(E)-(4-chlorophenyl)methylideneamino]fluoren-9-imine
SMILESClc1ccc(/C=N/N=C2c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C20H13ClN2/c21-15-11-9-14(10-12-15)13-22-23-20-18-7-3-1-5-16(18)17-6-2-4-8-19(17)20/h1-13H/b22-13+
InChIKeyMBVLIDUAGKTFES-LPYMAVHISA-N
MW316.79 g/mol
LogP5.19
Rot. Bonds2

About (E)-N-[(E)-(4-chlorophenyl)methylideneamino]fluoren-9-imine

(E)-N-[(E)-(4-chlorophenyl)methylideneamino]fluoren-9-imine (PubChem CID 6907399) has the molecular formula C20H13ClN2 and a molecular weight of 316.79 g/mol. Its IUPAC name is (E)-N-[(E)-(4-chlorophenyl)methylideneamino]fluoren-9-imine.

Molecular Properties

Compound Name(E)-N-[(E)-(4-chlorophenyl)methylideneamino]fluoren-9-imine
PubChem CID6907399
Molecular FormulaC20H13ClN2
Molecular Weight316.79 g/mol
Exact Mass316.08
IUPAC Name(E)-N-[(E)-(4-chlorophenyl)methylideneamino]fluoren-9-imine
SMILESClc1ccc(/C=N/N=C2c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C20H13ClN2/c21-15-11-9-14(10-12-15)13-22-23-20-18-7-3-1-5-16(18)17-6-2-4-8-19(17)20/h1-13H/b22-13+
InChIKeyMBVLIDUAGKTFES-LPYMAVHISA-N
XLogP5.19
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.79
LogP ≤ 55.19
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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Related Compounds

4-[(E)-(fluoren-9-ylidenehydrazinylidene)methyl]phenol
CID 135559008
N-[(4-propan-2-ylphenyl)methylideneamino]fluoren-9-imine
CID 69239599
(Z)-N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]fluoren-9-imine
CID 5408315
(5E)-5-[(E)-(4-chlorophenyl)methylidenehydrazinylidene]-1,3-diphenylimidazolidine-2,4-dione
CID 177409028
4-[(E)-(fluoren-9-ylidenehydrazinylidene)methyl]-2-nitrophenol
CID 135846474
(E)-N-[(E)-[7-[(E)-2-[4-[(E)-2-[5-[(E)-(fluoren-9-ylidenehydrazinylidene)methyl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]ethenyl]phenyl]ethenyl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl]methylideneamino]fluoren-9-imine
CID 58596554
(E,3S)-3-chloro-N-[(E)-(4-chlorophenyl)methylideneamino]-1-methyl-2,2-dioxo-2λ6,1-benzothiazin-4-imine
CID 139085284
(3Z)-3-[(E)-(4-bromophenyl)methylidenehydrazinylidene]-5-chloro-1H-indol-2-one
CID 176730765
[2-[(Z)-(fluoren-9-ylidenehydrazinylidene)methyl]phenyl]methanediol
CID 130198257
(6Z)-6-[(E)-(4-chlorophenyl)methylidenehydrazinylidene]-1,3-diazinane-2,4-dione
CID 136643579
CID 10012124
CID 10012124
3-[(4-fluorophenyl)methylidenehydrazinylidene]-1H-indol-2-one
CID 135445848

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(E)-(4-chlorophenyl)methylideneamino]fluoren-9-imine?
The IUPAC name of (E)-N-[(E)-(4-chlorophenyl)methylideneamino]fluoren-9-imine (CID 6907399) is (E)-N-[(E)-(4-chlorophenyl)methylideneamino]fluoren-9-imine.
What is the SMILES notation for (E)-N-[(E)-(4-chlorophenyl)methylideneamino]fluoren-9-imine?
The canonical SMILES for (E)-N-[(E)-(4-chlorophenyl)methylideneamino]fluoren-9-imine is Clc1ccc(/C=N/N=C2c3ccccc3-c3ccccc32)cc1.
What is the InChIKey of (E)-N-[(E)-(4-chlorophenyl)methylideneamino]fluoren-9-imine?
The InChIKey is MBVLIDUAGKTFES-LPYMAVHISA-N. The full InChI is InChI=1S/C20H13ClN2/c21-15-11-9-14(10-12-15)13-22-23-20-18-7-3-1-5-16(18)17-6-2-4-8-19(17)20/h1-13H/b22-13+.
What are the key properties of (E)-N-[(E)-(4-chlorophenyl)methylideneamino]fluoren-9-imine?
(E)-N-[(E)-(4-chlorophenyl)methylideneamino]fluoren-9-imine has a molecular weight of 316.79 g/mol, XLogP of 5.19, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(E)-(4-chlorophenyl)methylideneamino]fluoren-9-imine is sourced from PubChem (CID 6907399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).