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

C35H25Cl2N3O — CID 126370549

IUPAC2-[[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]-4,5-bis(4-methylphenyl)furan-3-carbonitrile
SMILESCc1ccc(-c2oc(N=Cc3cn(Cc4ccc(Cl)cc4Cl)c4ccccc34)c(C#N)c2-c2ccc(C)cc2)cc1
InChIInChI=1S/C35H25Cl2N3O/c1-22-7-11-24(12-8-22)33-30(18-38)35(41-34(33)25-13-9-23(2)10-14-25)39-19-27-21-40(32-6-4-3-5-29(27)32)20-26-15-16-28(36)17-31(26)37/h3-17,19,21H,20H2,1-2H3
InChIKeyYULPNCYWUIMLHT-UHFFFAOYSA-N
MW574.51 g/mol
LogP10.16
Rot. Bonds6

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

2-[[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]-4,5-bis(4-methylphenyl)furan-3-carbonitrile (PubChem CID 126370549) has the molecular formula C35H25Cl2N3O and a molecular weight of 574.51 g/mol. Its IUPAC name is 2-[[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]-4,5-bis(4-methylphenyl)furan-3-carbonitrile.

Molecular Properties

Compound Name2-[[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]-4,5-bis(4-methylphenyl)furan-3-carbonitrile
PubChem CID126370549
Molecular FormulaC35H25Cl2N3O
Molecular Weight574.51 g/mol
Exact Mass573.14
IUPAC Name2-[[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]-4,5-bis(4-methylphenyl)furan-3-carbonitrile
SMILESCc1ccc(-c2oc(N=Cc3cn(Cc4ccc(Cl)cc4Cl)c4ccccc34)c(C#N)c2-c2ccc(C)cc2)cc1
InChIInChI=1S/C35H25Cl2N3O/c1-22-7-11-24(12-8-22)33-30(18-38)35(41-34(33)25-13-9-23(2)10-14-25)39-19-27-21-40(32-6-4-3-5-29(27)32)20-26-15-16-28(36)17-31(26)37/h3-17,19,21H,20H2,1-2H3
InChIKeyYULPNCYWUIMLHT-UHFFFAOYSA-N
XLogP10.16
TPSA54.22 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.51
LogP ≤ 510.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4,5-bis(4-methoxyphenyl)-2-[[1-[(4-methylphenyl)methyl]indol-3-yl]methylideneamino]furan-3-carbonitrile
CID 5007245
2-[[1-[(3,4-dichlorophenyl)methyl]-2-methylindol-3-yl]methylideneamino]-4,5-bis(4-methylphenyl)furan-3-carbonitrile
CID 126370067
2-[[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-4,5-bis(4-methylphenyl)furan-3-carbonitrile
CID 126357947
2-[[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]-4,5-bis(furan-2-yl)furan-3-carbonitrile
CID 126392585
N-[(Z)-[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]-2-(4-methylphenyl)acetamide
CID 126365049
2-[(1-benzylindol-3-yl)methylideneamino]-4,5-bis(furan-2-yl)furan-3-carbonitrile
CID 126389331
2-[[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-4,5-bis(4-methylphenyl)furan-3-carbonitrile
CID 126350124
2-[[2-(cyanomethoxy)phenyl]methylideneamino]-4,5-bis(4-methylphenyl)furan-3-carbonitrile
CID 126357508
2-(2-chlorophenyl)-3-[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]prop-2-enenitrile
CID 4038734
2-[(E)-(1-ethyl-2-methylindol-3-yl)methylideneamino]-4,5-diphenylfuran-3-carbonitrile
CID 21379878
2-cyano-3-[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]prop-2-enethioamide
CID 2982472
(2Z)-2-[[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylidene]-4,4-dimethyl-3-oxopentanenitrile
CID 51064390

Frequently Asked Questions

What is the IUPAC name of 2-[[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]-4,5-bis(4-methylphenyl)furan-3-carbonitrile?
The IUPAC name of 2-[[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]-4,5-bis(4-methylphenyl)furan-3-carbonitrile (CID 126370549) is 2-[[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]-4,5-bis(4-methylphenyl)furan-3-carbonitrile.
What is the SMILES notation for 2-[[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]-4,5-bis(4-methylphenyl)furan-3-carbonitrile?
The canonical SMILES for 2-[[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]-4,5-bis(4-methylphenyl)furan-3-carbonitrile is Cc1ccc(-c2oc(N=Cc3cn(Cc4ccc(Cl)cc4Cl)c4ccccc34)c(C#N)c2-c2ccc(C)cc2)cc1.
What is the InChIKey of 2-[[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]-4,5-bis(4-methylphenyl)furan-3-carbonitrile?
The InChIKey is YULPNCYWUIMLHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H25Cl2N3O/c1-22-7-11-24(12-8-22)33-30(18-38)35(41-34(33)25-13-9-23(2)10-14-25)39-19-27-21-40(32-6-4-3-5-29(27)32)20-26-15-16-28(36)17-31(26)37/h3-17,19,21H,20H2,1-2H3.
What are the key properties of 2-[[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]-4,5-bis(4-methylphenyl)furan-3-carbonitrile?
2-[[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]-4,5-bis(4-methylphenyl)furan-3-carbonitrile has a molecular weight of 574.51 g/mol, XLogP of 10.16, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]-4,5-bis(4-methylphenyl)furan-3-carbonitrile is sourced from PubChem (CID 126370549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).