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

C29H19N3O3 — CID 126389331

IUPAC2-[(1-benzylindol-3-yl)methylideneamino]-4,5-bis(furan-2-yl)furan-3-carbonitrile
SMILESN#Cc1c(N=Cc2cn(Cc3ccccc3)c3ccccc23)oc(-c2ccco2)c1-c1ccco1
InChIInChI=1S/C29H19N3O3/c30-16-23-27(25-12-6-14-33-25)28(26-13-7-15-34-26)35-29(23)31-17-21-19-32(18-20-8-2-1-3-9-20)24-11-5-4-10-22(21)24/h1-15,17,19H,18H2
InChIKeyGEOQEJCXJVCILJ-UHFFFAOYSA-N
MW457.49 g/mol
LogP7.42
Rot. Bonds6

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

2-[(1-benzylindol-3-yl)methylideneamino]-4,5-bis(furan-2-yl)furan-3-carbonitrile (PubChem CID 126389331) has the molecular formula C29H19N3O3 and a molecular weight of 457.49 g/mol. Its IUPAC name is 2-[(1-benzylindol-3-yl)methylideneamino]-4,5-bis(furan-2-yl)furan-3-carbonitrile.

Molecular Properties

Compound Name2-[(1-benzylindol-3-yl)methylideneamino]-4,5-bis(furan-2-yl)furan-3-carbonitrile
PubChem CID126389331
Molecular FormulaC29H19N3O3
Molecular Weight457.49 g/mol
Exact Mass457.14
IUPAC Name2-[(1-benzylindol-3-yl)methylideneamino]-4,5-bis(furan-2-yl)furan-3-carbonitrile
SMILESN#Cc1c(N=Cc2cn(Cc3ccccc3)c3ccccc23)oc(-c2ccco2)c1-c1ccco1
InChIInChI=1S/C29H19N3O3/c30-16-23-27(25-12-6-14-33-25)28(26-13-7-15-34-26)35-29(23)31-17-21-19-32(18-20-8-2-1-3-9-20)24-11-5-4-10-22(21)24/h1-15,17,19H,18H2
InChIKeyGEOQEJCXJVCILJ-UHFFFAOYSA-N
XLogP7.42
TPSA80.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.49
LogP ≤ 57.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]-4,5-bis(furan-2-yl)furan-3-carbonitrile
CID 126392585
4,5-bis(4-methoxyphenyl)-2-[[1-[(4-methylphenyl)methyl]indol-3-yl]methylideneamino]furan-3-carbonitrile
CID 5007245
4,5-bis(furan-2-yl)-2-[(2-methyl-1-prop-2-enylindol-3-yl)methylideneamino]furan-3-carbonitrile
CID 126391055
2-[[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]-4,5-bis(4-methylphenyl)furan-3-carbonitrile
CID 126370549
4,5-bis(furan-2-yl)-2-[(E)-(6-methoxy-2,3-diphenyl-1H-indol-5-yl)methylideneamino]furan-3-carbonitrile
CID 10256973
2-[(5-bromo-2-methoxyphenyl)methylideneamino]-4,5-bis(furan-2-yl)furan-3-carbonitrile
CID 2358220
2-[[4-[(4-chlorophenyl)methoxy]-3,5-diiodophenyl]methylideneamino]-4,5-bis(furan-2-yl)furan-3-carbonitrile
CID 126384909
2-[(4-butoxyphenyl)methylideneamino]-4,5-bis(furan-2-yl)furan-3-carbonitrile
CID 2347116
2-[(5-bromo-2-prop-2-ynoxyphenyl)methylideneamino]-4,5-bis(furan-2-yl)furan-3-carbonitrile
CID 126383787
2-[5-[[3-cyano-4,5-bis(furan-2-yl)furan-2-yl]iminomethyl]furan-2-yl]benzoic acid
CID 126385016
2-[[4-[(2,4-dichlorophenyl)methoxy]-3,5-diiodophenyl]methylideneamino]-4,5-bis(furan-2-yl)furan-3-carbonitrile
CID 126387863
(1-benzylindol-3-yl)-deuteriomethanone
CID 176774794

Frequently Asked Questions

What is the IUPAC name of 2-[(1-benzylindol-3-yl)methylideneamino]-4,5-bis(furan-2-yl)furan-3-carbonitrile?
The IUPAC name of 2-[(1-benzylindol-3-yl)methylideneamino]-4,5-bis(furan-2-yl)furan-3-carbonitrile (CID 126389331) is 2-[(1-benzylindol-3-yl)methylideneamino]-4,5-bis(furan-2-yl)furan-3-carbonitrile.
What is the SMILES notation for 2-[(1-benzylindol-3-yl)methylideneamino]-4,5-bis(furan-2-yl)furan-3-carbonitrile?
The canonical SMILES for 2-[(1-benzylindol-3-yl)methylideneamino]-4,5-bis(furan-2-yl)furan-3-carbonitrile is N#Cc1c(N=Cc2cn(Cc3ccccc3)c3ccccc23)oc(-c2ccco2)c1-c1ccco1.
What is the InChIKey of 2-[(1-benzylindol-3-yl)methylideneamino]-4,5-bis(furan-2-yl)furan-3-carbonitrile?
The InChIKey is GEOQEJCXJVCILJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H19N3O3/c30-16-23-27(25-12-6-14-33-25)28(26-13-7-15-34-26)35-29(23)31-17-21-19-32(18-20-8-2-1-3-9-20)24-11-5-4-10-22(21)24/h1-15,17,19H,18H2.
What are the key properties of 2-[(1-benzylindol-3-yl)methylideneamino]-4,5-bis(furan-2-yl)furan-3-carbonitrile?
2-[(1-benzylindol-3-yl)methylideneamino]-4,5-bis(furan-2-yl)furan-3-carbonitrile has a molecular weight of 457.49 g/mol, XLogP of 7.42, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-benzylindol-3-yl)methylideneamino]-4,5-bis(furan-2-yl)furan-3-carbonitrile is sourced from PubChem (CID 126389331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).