4,5-bis(furan-2-yl)-2-[(2-methyl-1H-indol-3-yl)methylideneamino]furan-3-carbonitrile

C23H15N3O3 — CID 2356082

IUPAC4,5-bis(furan-2-yl)-2-[(2-methyl-1H-indol-3-yl)methylideneamino]furan-3-carbonitrile
SMILESCc1[nH]c2ccccc2c1C=Nc1oc(-c2ccco2)c(-c2ccco2)c1C#N
InChIInChI=1S/C23H15N3O3/c1-14-17(15-6-2-3-7-18(15)26-14)13-25-23-16(12-24)21(19-8-4-10-27-19)22(29-23)20-9-5-11-28-20/h2-11,13,26H,1H3
InChIKeyODXHDIHSIPZAIU-UHFFFAOYSA-N
MW381.39 g/mol
LogP6.21
Rot. Bonds4

About 4,5-bis(furan-2-yl)-2-[(2-methyl-1H-indol-3-yl)methylideneamino]furan-3-carbonitrile

4,5-bis(furan-2-yl)-2-[(2-methyl-1H-indol-3-yl)methylideneamino]furan-3-carbonitrile (PubChem CID 2356082) has the molecular formula C23H15N3O3 and a molecular weight of 381.39 g/mol. Its IUPAC name is 4,5-bis(furan-2-yl)-2-[(2-methyl-1H-indol-3-yl)methylideneamino]furan-3-carbonitrile.

Molecular Properties

Compound Name4,5-bis(furan-2-yl)-2-[(2-methyl-1H-indol-3-yl)methylideneamino]furan-3-carbonitrile
PubChem CID2356082
Molecular FormulaC23H15N3O3
Molecular Weight381.39 g/mol
Exact Mass381.11
IUPAC Name4,5-bis(furan-2-yl)-2-[(2-methyl-1H-indol-3-yl)methylideneamino]furan-3-carbonitrile
SMILESCc1[nH]c2ccccc2c1C=Nc1oc(-c2ccco2)c(-c2ccco2)c1C#N
InChIInChI=1S/C23H15N3O3/c1-14-17(15-6-2-3-7-18(15)26-14)13-25-23-16(12-24)21(19-8-4-10-27-19)22(29-23)20-9-5-11-28-20/h2-11,13,26H,1H3
InChIKeyODXHDIHSIPZAIU-UHFFFAOYSA-N
XLogP6.21
TPSA91.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.39
LogP ≤ 56.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,5-bis(furan-2-yl)-2-[(2-methyl-1H-indol-3-yl)methylideneamino]furan-3-carbonitrile?
The IUPAC name of 4,5-bis(furan-2-yl)-2-[(2-methyl-1H-indol-3-yl)methylideneamino]furan-3-carbonitrile (CID 2356082) is 4,5-bis(furan-2-yl)-2-[(2-methyl-1H-indol-3-yl)methylideneamino]furan-3-carbonitrile.
What is the SMILES notation for 4,5-bis(furan-2-yl)-2-[(2-methyl-1H-indol-3-yl)methylideneamino]furan-3-carbonitrile?
The canonical SMILES for 4,5-bis(furan-2-yl)-2-[(2-methyl-1H-indol-3-yl)methylideneamino]furan-3-carbonitrile is Cc1[nH]c2ccccc2c1C=Nc1oc(-c2ccco2)c(-c2ccco2)c1C#N.
What is the InChIKey of 4,5-bis(furan-2-yl)-2-[(2-methyl-1H-indol-3-yl)methylideneamino]furan-3-carbonitrile?
The InChIKey is ODXHDIHSIPZAIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15N3O3/c1-14-17(15-6-2-3-7-18(15)26-14)13-25-23-16(12-24)21(19-8-4-10-27-19)22(29-23)20-9-5-11-28-20/h2-11,13,26H,1H3.
What are the key properties of 4,5-bis(furan-2-yl)-2-[(2-methyl-1H-indol-3-yl)methylideneamino]furan-3-carbonitrile?
4,5-bis(furan-2-yl)-2-[(2-methyl-1H-indol-3-yl)methylideneamino]furan-3-carbonitrile has a molecular weight of 381.39 g/mol, XLogP of 6.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-bis(furan-2-yl)-2-[(2-methyl-1H-indol-3-yl)methylideneamino]furan-3-carbonitrile is sourced from PubChem (CID 2356082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).