(E)-1-[5-(4-methyl-2-nitrophenyl)furan-2-yl]-N-[(E)-[5-(4-methyl-2-nitrophenyl)furan-2-yl]methylideneamino]methanimine

C24H18N4O6 — CID 50884135

IUPAC(E)-1-[5-(4-methyl-2-nitrophenyl)furan-2-yl]-N-[(E)-[5-(4-methyl-2-nitrophenyl)furan-2-yl]methylideneamino]methanimine
SMILESCc1ccc(-c2ccc(/C=N/N=C/c3ccc(-c4ccc(C)cc4[N+](=O)[O-])o3)o2)c([N+](=O)[O-])c1
InChIInChI=1S/C24H18N4O6/c1-15-3-7-19(21(11-15)27(29)30)23-9-5-17(33-23)13-25-26-14-18-6-10-24(34-18)20-8-4-16(2)12-22(20)28(31)32/h3-14H,1-2H3/b25-13+,26-14+
InChIKeyHTCPFVKJJYTIEL-BKHCZYBLSA-N
MW458.43 g/mol
LogP6.09
Rot. Bonds7

About (E)-1-[5-(4-methyl-2-nitrophenyl)furan-2-yl]-N-[(E)-[5-(4-methyl-2-nitrophenyl)furan-2-yl]methylideneamino]methanimine

(E)-1-[5-(4-methyl-2-nitrophenyl)furan-2-yl]-N-[(E)-[5-(4-methyl-2-nitrophenyl)furan-2-yl]methylideneamino]methanimine (PubChem CID 50884135) has the molecular formula C24H18N4O6 and a molecular weight of 458.43 g/mol. Its IUPAC name is (E)-1-[5-(4-methyl-2-nitrophenyl)furan-2-yl]-N-[(E)-[5-(4-methyl-2-nitrophenyl)furan-2-yl]methylideneamino]methanimine.

Molecular Properties

Compound Name(E)-1-[5-(4-methyl-2-nitrophenyl)furan-2-yl]-N-[(E)-[5-(4-methyl-2-nitrophenyl)furan-2-yl]methylideneamino]methanimine
PubChem CID50884135
Molecular FormulaC24H18N4O6
Molecular Weight458.43 g/mol
Exact Mass458.12
IUPAC Name(E)-1-[5-(4-methyl-2-nitrophenyl)furan-2-yl]-N-[(E)-[5-(4-methyl-2-nitrophenyl)furan-2-yl]methylideneamino]methanimine
SMILESCc1ccc(-c2ccc(/C=N/N=C/c3ccc(-c4ccc(C)cc4[N+](=O)[O-])o3)o2)c([N+](=O)[O-])c1
InChIInChI=1S/C24H18N4O6/c1-15-3-7-19(21(11-15)27(29)30)23-9-5-17(33-23)13-25-26-14-18-6-10-24(34-18)20-8-4-16(2)12-22(20)28(31)32/h3-14H,1-2H3/b25-13+,26-14+
InChIKeyHTCPFVKJJYTIEL-BKHCZYBLSA-N
XLogP6.09
TPSA137.28 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.43
LogP ≤ 56.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

(NZ)-N-[[5-(4-methyl-2-nitrophenyl)furan-2-yl]methylidene]hydroxylamine
CID 28875195
2-(4-methyl-2-nitrophenyl)-5-[(E)-2-nitroethenyl]furan
CID 124662764
N-[(E)-[5-(4-methyl-2-nitrophenyl)furan-2-yl]methylideneamino]pyridin-4-amine
CID 21229319
4-acetamido-N-[[5-(4-methyl-2-nitrophenyl)furan-2-yl]methylideneamino]benzamide
CID 3883202
2-[(2Z,5R)-2-[(Z)-[5-(4-methyl-2-nitrophenyl)furan-2-yl]methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetic acid
CID 135920543
1,3-dimethyl-5-[[5-(4-methyl-2-nitrophenyl)furan-2-yl]methylidene]-1,3-diazinane-2,4,6-trione
CID 21208962
(1S,2R,6R,7S,8R,10R)-4-[(Z)-[5-(4-methyl-2-nitrophenyl)furan-2-yl]methylideneamino]-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-ene-3,5-dione
CID 124837079
2-[[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylideneamino]-4-methylphenol
CID 50884274
(2E,6E)-4-methyl-2,6-bis[[5-(4-methyl-2-nitrophenyl)furan-2-yl]methylidene]cyclohexan-1-one
CID 6199167
2-(2-methyl-1,3-dithiolan-2-yl)-N-[(Z)-[5-(4-methyl-2-nitrophenyl)furan-2-yl]methylideneamino]acetamide
CID 126256300
N-[[5-(4-chloro-2-nitrophenyl)furan-2-yl]methylideneamino]-4-methylbenzenesulfonamide
CID 3816843
5-(4-methyl-2-nitrophenyl)furan-2-carbonitrile
CID 947560

Frequently Asked Questions

What is the IUPAC name of (E)-1-[5-(4-methyl-2-nitrophenyl)furan-2-yl]-N-[(E)-[5-(4-methyl-2-nitrophenyl)furan-2-yl]methylideneamino]methanimine?
The IUPAC name of (E)-1-[5-(4-methyl-2-nitrophenyl)furan-2-yl]-N-[(E)-[5-(4-methyl-2-nitrophenyl)furan-2-yl]methylideneamino]methanimine (CID 50884135) is (E)-1-[5-(4-methyl-2-nitrophenyl)furan-2-yl]-N-[(E)-[5-(4-methyl-2-nitrophenyl)furan-2-yl]methylideneamino]methanimine.
What is the SMILES notation for (E)-1-[5-(4-methyl-2-nitrophenyl)furan-2-yl]-N-[(E)-[5-(4-methyl-2-nitrophenyl)furan-2-yl]methylideneamino]methanimine?
The canonical SMILES for (E)-1-[5-(4-methyl-2-nitrophenyl)furan-2-yl]-N-[(E)-[5-(4-methyl-2-nitrophenyl)furan-2-yl]methylideneamino]methanimine is Cc1ccc(-c2ccc(/C=N/N=C/c3ccc(-c4ccc(C)cc4[N+](=O)[O-])o3)o2)c([N+](=O)[O-])c1.
What is the InChIKey of (E)-1-[5-(4-methyl-2-nitrophenyl)furan-2-yl]-N-[(E)-[5-(4-methyl-2-nitrophenyl)furan-2-yl]methylideneamino]methanimine?
The InChIKey is HTCPFVKJJYTIEL-BKHCZYBLSA-N. The full InChI is InChI=1S/C24H18N4O6/c1-15-3-7-19(21(11-15)27(29)30)23-9-5-17(33-23)13-25-26-14-18-6-10-24(34-18)20-8-4-16(2)12-22(20)28(31)32/h3-14H,1-2H3/b25-13+,26-14+.
What are the key properties of (E)-1-[5-(4-methyl-2-nitrophenyl)furan-2-yl]-N-[(E)-[5-(4-methyl-2-nitrophenyl)furan-2-yl]methylideneamino]methanimine?
(E)-1-[5-(4-methyl-2-nitrophenyl)furan-2-yl]-N-[(E)-[5-(4-methyl-2-nitrophenyl)furan-2-yl]methylideneamino]methanimine has a molecular weight of 458.43 g/mol, XLogP of 6.09, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-[5-(4-methyl-2-nitrophenyl)furan-2-yl]-N-[(E)-[5-(4-methyl-2-nitrophenyl)furan-2-yl]methylideneamino]methanimine is sourced from PubChem (CID 50884135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).