4,5-bis(furan-2-yl)-2-[[5-(2-nitrophenyl)furan-2-yl]methylideneamino]furan-3-carbonitrile

C24H13N3O6 — CID 126384701

IUPAC4,5-bis(furan-2-yl)-2-[[5-(2-nitrophenyl)furan-2-yl]methylideneamino]furan-3-carbonitrile
SMILESN#Cc1c(N=Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)oc(-c2ccco2)c1-c1ccco1
InChIInChI=1S/C24H13N3O6/c25-13-17-22(20-7-3-11-30-20)23(21-8-4-12-31-21)33-24(17)26-14-15-9-10-19(32-15)16-5-1-2-6-18(16)27(28)29/h1-12,14H
InChIKeyIMOAKUYJXTYAOJ-UHFFFAOYSA-N
MW439.38 g/mol
LogP6.59
Rot. Bonds6

About 4,5-bis(furan-2-yl)-2-[[5-(2-nitrophenyl)furan-2-yl]methylideneamino]furan-3-carbonitrile

4,5-bis(furan-2-yl)-2-[[5-(2-nitrophenyl)furan-2-yl]methylideneamino]furan-3-carbonitrile (PubChem CID 126384701) has the molecular formula C24H13N3O6 and a molecular weight of 439.38 g/mol. Its IUPAC name is 4,5-bis(furan-2-yl)-2-[[5-(2-nitrophenyl)furan-2-yl]methylideneamino]furan-3-carbonitrile.

Molecular Properties

Compound Name4,5-bis(furan-2-yl)-2-[[5-(2-nitrophenyl)furan-2-yl]methylideneamino]furan-3-carbonitrile
PubChem CID126384701
Molecular FormulaC24H13N3O6
Molecular Weight439.38 g/mol
Exact Mass439.08
IUPAC Name4,5-bis(furan-2-yl)-2-[[5-(2-nitrophenyl)furan-2-yl]methylideneamino]furan-3-carbonitrile
SMILESN#Cc1c(N=Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)oc(-c2ccco2)c1-c1ccco1
InChIInChI=1S/C24H13N3O6/c25-13-17-22(20-7-3-11-30-20)23(21-8-4-12-31-21)33-24(17)26-14-15-9-10-19(32-15)16-5-1-2-6-18(16)27(28)29/h1-12,14H
InChIKeyIMOAKUYJXTYAOJ-UHFFFAOYSA-N
XLogP6.59
TPSA131.85 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.38
LogP ≤ 56.59
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

2-[5-[[3-cyano-4,5-bis(furan-2-yl)furan-2-yl]iminomethyl]furan-2-yl]benzoic acid
CID 126385016
4,5-bis(4-methylphenyl)-2-[[5-(2-nitrophenyl)furan-2-yl]methylideneamino]furan-3-carbonitrile
CID 126346862
4,5-bis(furan-2-yl)-2-[(2-hydroxy-5-nitrophenyl)methylideneamino]furan-3-carbonitrile
CID 137094384
2-[[4-[(2-cyanophenyl)methoxy]phenyl]methylideneamino]-4,5-bis(furan-2-yl)furan-3-carbonitrile
CID 126379631
2-[(4-butoxyphenyl)methylideneamino]-4,5-bis(furan-2-yl)furan-3-carbonitrile
CID 2347116
4,5-bis(furan-2-yl)-2-[(2-methyl-1H-indol-3-yl)methylideneamino]furan-3-carbonitrile
CID 2356082
ethyl 2-[4-[[3-cyano-4,5-bis(furan-2-yl)furan-2-yl]iminomethyl]phenoxy]acetate
CID 126384129
4,5-bis(furan-2-yl)-2-[(2-hydroxy-5-methylphenyl)methylideneamino]furan-3-carbonitrile
CID 1286677
6-tert-butyl-2-[(Z)-[5-(2-nitrophenyl)furan-2-yl]methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
CID 6105980
2-[[4-[(2,4-dichlorophenyl)methoxy]-3,5-diiodophenyl]methylideneamino]-4,5-bis(furan-2-yl)furan-3-carbonitrile
CID 126387863
3-[5-(2-nitrophenyl)furan-2-yl]prop-2-enal
CID 4771794
2-[(5-bromo-2-methoxyphenyl)methylideneamino]-4,5-bis(furan-2-yl)furan-3-carbonitrile
CID 2358220

Frequently Asked Questions

What is the IUPAC name of 4,5-bis(furan-2-yl)-2-[[5-(2-nitrophenyl)furan-2-yl]methylideneamino]furan-3-carbonitrile?
The IUPAC name of 4,5-bis(furan-2-yl)-2-[[5-(2-nitrophenyl)furan-2-yl]methylideneamino]furan-3-carbonitrile (CID 126384701) is 4,5-bis(furan-2-yl)-2-[[5-(2-nitrophenyl)furan-2-yl]methylideneamino]furan-3-carbonitrile.
What is the SMILES notation for 4,5-bis(furan-2-yl)-2-[[5-(2-nitrophenyl)furan-2-yl]methylideneamino]furan-3-carbonitrile?
The canonical SMILES for 4,5-bis(furan-2-yl)-2-[[5-(2-nitrophenyl)furan-2-yl]methylideneamino]furan-3-carbonitrile is N#Cc1c(N=Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)oc(-c2ccco2)c1-c1ccco1.
What is the InChIKey of 4,5-bis(furan-2-yl)-2-[[5-(2-nitrophenyl)furan-2-yl]methylideneamino]furan-3-carbonitrile?
The InChIKey is IMOAKUYJXTYAOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H13N3O6/c25-13-17-22(20-7-3-11-30-20)23(21-8-4-12-31-21)33-24(17)26-14-15-9-10-19(32-15)16-5-1-2-6-18(16)27(28)29/h1-12,14H.
What are the key properties of 4,5-bis(furan-2-yl)-2-[[5-(2-nitrophenyl)furan-2-yl]methylideneamino]furan-3-carbonitrile?
4,5-bis(furan-2-yl)-2-[[5-(2-nitrophenyl)furan-2-yl]methylideneamino]furan-3-carbonitrile has a molecular weight of 439.38 g/mol, XLogP of 6.59, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-bis(furan-2-yl)-2-[[5-(2-nitrophenyl)furan-2-yl]methylideneamino]furan-3-carbonitrile is sourced from PubChem (CID 126384701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).