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

C29H17Cl2N3O3 — CID 126392585

IUPAC2-[[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]-4,5-bis(furan-2-yl)furan-3-carbonitrile
SMILESN#Cc1c(N=Cc2cn(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)oc(-c2ccco2)c1-c1ccco1
InChIInChI=1S/C29H17Cl2N3O3/c30-22-10-9-18(13-23(22)31)16-34-17-19(20-5-1-2-6-24(20)34)15-33-29-21(14-32)27(25-7-3-11-35-25)28(37-29)26-8-4-12-36-26/h1-13,15,17H,16H2
InChIKeySVRHXWZMTODFBO-UHFFFAOYSA-N
MW526.38 g/mol
LogP8.73
Rot. Bonds6

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

2-[[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]-4,5-bis(furan-2-yl)furan-3-carbonitrile (PubChem CID 126392585) has the molecular formula C29H17Cl2N3O3 and a molecular weight of 526.38 g/mol. Its IUPAC name is 2-[[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]-4,5-bis(furan-2-yl)furan-3-carbonitrile.

Molecular Properties

Compound Name2-[[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]-4,5-bis(furan-2-yl)furan-3-carbonitrile
PubChem CID126392585
Molecular FormulaC29H17Cl2N3O3
Molecular Weight526.38 g/mol
Exact Mass525.06
IUPAC Name2-[[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]-4,5-bis(furan-2-yl)furan-3-carbonitrile
SMILESN#Cc1c(N=Cc2cn(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)oc(-c2ccco2)c1-c1ccco1
InChIInChI=1S/C29H17Cl2N3O3/c30-22-10-9-18(13-23(22)31)16-34-17-19(20-5-1-2-6-24(20)34)15-33-29-21(14-32)27(25-7-3-11-35-25)28(37-29)26-8-4-12-36-26/h1-13,15,17H,16H2
InChIKeySVRHXWZMTODFBO-UHFFFAOYSA-N
XLogP8.73
TPSA80.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.38
LogP ≤ 58.73
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-benzylindol-3-yl)methylideneamino]-4,5-bis(furan-2-yl)furan-3-carbonitrile
CID 126389331
4,5-bis(4-methoxyphenyl)-2-[[1-[(4-methylphenyl)methyl]indol-3-yl]methylideneamino]furan-3-carbonitrile
CID 5007245
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-[(2-methyl-1-prop-2-enylindol-3-yl)methylideneamino]furan-3-carbonitrile
CID 126391055
2-[[4-[(4-chlorophenyl)methoxy]-3,5-diiodophenyl]methylideneamino]-4,5-bis(furan-2-yl)furan-3-carbonitrile
CID 126384909
2-[[1-[(3,4-dichlorophenyl)methyl]-2-methylindol-3-yl]methylideneamino]-4,5-bis(4-methylphenyl)furan-3-carbonitrile
CID 126370067
4,5-bis(furan-2-yl)-2-[(2-hydroxy-5-methylphenyl)methylideneamino]furan-3-carbonitrile
CID 1286677
2-[(5-bromo-2-methoxyphenyl)methylideneamino]-4,5-bis(furan-2-yl)furan-3-carbonitrile
CID 2358220
2-[[4-[(2,4-dichlorophenyl)methoxy]-3,5-diiodophenyl]methylideneamino]-4,5-bis(furan-2-yl)furan-3-carbonitrile
CID 126387863
N-[(Z)-[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]pyridin-4-amine
CID 21208933
4,5-bis(furan-2-yl)-2-[(E)-(6-methoxy-2,3-diphenyl-1H-indol-5-yl)methylideneamino]furan-3-carbonitrile
CID 10256973
4,5-bis(furan-2-yl)-2-[(E)-(2-propan-2-yloxynaphthalen-1-yl)methylideneamino]furan-3-carbonitrile
CID 46738525

Frequently Asked Questions

What is the IUPAC name of 2-[[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]-4,5-bis(furan-2-yl)furan-3-carbonitrile?
The IUPAC name of 2-[[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]-4,5-bis(furan-2-yl)furan-3-carbonitrile (CID 126392585) is 2-[[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]-4,5-bis(furan-2-yl)furan-3-carbonitrile.
What is the SMILES notation for 2-[[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]-4,5-bis(furan-2-yl)furan-3-carbonitrile?
The canonical SMILES for 2-[[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]-4,5-bis(furan-2-yl)furan-3-carbonitrile is N#Cc1c(N=Cc2cn(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)oc(-c2ccco2)c1-c1ccco1.
What is the InChIKey of 2-[[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]-4,5-bis(furan-2-yl)furan-3-carbonitrile?
The InChIKey is SVRHXWZMTODFBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H17Cl2N3O3/c30-22-10-9-18(13-23(22)31)16-34-17-19(20-5-1-2-6-24(20)34)15-33-29-21(14-32)27(25-7-3-11-35-25)28(37-29)26-8-4-12-36-26/h1-13,15,17H,16H2.
What are the key properties of 2-[[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]-4,5-bis(furan-2-yl)furan-3-carbonitrile?
2-[[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]-4,5-bis(furan-2-yl)furan-3-carbonitrile has a molecular weight of 526.38 g/mol, XLogP of 8.73, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]-4,5-bis(furan-2-yl)furan-3-carbonitrile is sourced from PubChem (CID 126392585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).