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

C30H20Cl2N2O2 — CID 126357947

IUPAC2-[[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-4,5-bis(4-methylphenyl)furan-3-carbonitrile
SMILESCc1ccc(-c2oc(N=Cc3ccc(-c4ccc(Cl)cc4Cl)o3)c(C#N)c2-c2ccc(C)cc2)cc1
InChIInChI=1S/C30H20Cl2N2O2/c1-18-3-7-20(8-4-18)28-25(16-33)30(36-29(28)21-9-5-19(2)6-10-21)34-17-23-12-14-27(35-23)24-13-11-22(31)15-26(24)32/h3-15,17H,1-2H3
InChIKeyVADCNWYZZFCLGH-UHFFFAOYSA-N
MW511.41 g/mol
LogP9.42
Rot. Bonds5

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

2-[[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-4,5-bis(4-methylphenyl)furan-3-carbonitrile (PubChem CID 126357947) has the molecular formula C30H20Cl2N2O2 and a molecular weight of 511.41 g/mol. Its IUPAC name is 2-[[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-4,5-bis(4-methylphenyl)furan-3-carbonitrile.

Molecular Properties

Compound Name2-[[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-4,5-bis(4-methylphenyl)furan-3-carbonitrile
PubChem CID126357947
Molecular FormulaC30H20Cl2N2O2
Molecular Weight511.41 g/mol
Exact Mass510.09
IUPAC Name2-[[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-4,5-bis(4-methylphenyl)furan-3-carbonitrile
SMILESCc1ccc(-c2oc(N=Cc3ccc(-c4ccc(Cl)cc4Cl)o3)c(C#N)c2-c2ccc(C)cc2)cc1
InChIInChI=1S/C30H20Cl2N2O2/c1-18-3-7-20(8-4-18)28-25(16-33)30(36-29(28)21-9-5-19(2)6-10-21)34-17-23-12-14-27(35-23)24-13-11-22(31)15-26(24)32/h3-15,17H,1-2H3
InChIKeyVADCNWYZZFCLGH-UHFFFAOYSA-N
XLogP9.42
TPSA62.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.41
LogP ≤ 59.42
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-methylphenyl)-2-[[5-(2-nitrophenyl)furan-2-yl]methylideneamino]furan-3-carbonitrile
CID 126346862
2-[(4-iodophenyl)methylideneamino]-4,5-bis(4-methylphenyl)furan-3-carbonitrile
CID 126370488
2-[[5-(2,5-dichlorophenyl)furan-2-yl]methylideneamino]-4,5-dimethylfuran-3-carbonitrile
CID 126166181
methyl 3-[5-[[3-cyano-4,5-bis(4-methylphenyl)furan-2-yl]iminomethyl]furan-2-yl]benzoate
CID 126349774
ethyl 3-[5-[[3-cyano-4,5-bis(4-methylphenyl)furan-2-yl]iminomethyl]furan-2-yl]benzoate
CID 126359194
2-[(3,4-dihydroxyphenyl)methylideneamino]-4,5-bis(4-methylphenyl)furan-3-carbonitrile
CID 137149931
2-[[5-(3-bromo-4-methylphenyl)furan-2-yl]methylideneamino]-4,5-bis(4-methoxyphenyl)furan-3-carbonitrile
CID 126150184
2-[[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]-4,5-bis(4-methylphenyl)furan-3-carbonitrile
CID 126370549
2-[(3-iodo-4,5-dimethoxyphenyl)methylideneamino]-4,5-bis(4-methylphenyl)furan-3-carbonitrile
CID 126369539
2-[[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-4,5-bis(4-methylphenyl)furan-3-carbonitrile
CID 126350124
2-[[2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-4,5-bis(4-methylphenyl)furan-3-carbonitrile
CID 126362742
N-[[5-(2,4-dichlorophenyl)furan-2-yl]methylidene]hydroxylamine
CID 73164714

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-4,5-bis(4-methylphenyl)furan-3-carbonitrile?
The IUPAC name of 2-[[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-4,5-bis(4-methylphenyl)furan-3-carbonitrile (CID 126357947) is 2-[[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-4,5-bis(4-methylphenyl)furan-3-carbonitrile.
What is the SMILES notation for 2-[[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-4,5-bis(4-methylphenyl)furan-3-carbonitrile?
The canonical SMILES for 2-[[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-4,5-bis(4-methylphenyl)furan-3-carbonitrile is Cc1ccc(-c2oc(N=Cc3ccc(-c4ccc(Cl)cc4Cl)o3)c(C#N)c2-c2ccc(C)cc2)cc1.
What is the InChIKey of 2-[[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-4,5-bis(4-methylphenyl)furan-3-carbonitrile?
The InChIKey is VADCNWYZZFCLGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H20Cl2N2O2/c1-18-3-7-20(8-4-18)28-25(16-33)30(36-29(28)21-9-5-19(2)6-10-21)34-17-23-12-14-27(35-23)24-13-11-22(31)15-26(24)32/h3-15,17H,1-2H3.
What are the key properties of 2-[[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-4,5-bis(4-methylphenyl)furan-3-carbonitrile?
2-[[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-4,5-bis(4-methylphenyl)furan-3-carbonitrile has a molecular weight of 511.41 g/mol, XLogP of 9.42, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-4,5-bis(4-methylphenyl)furan-3-carbonitrile is sourced from PubChem (CID 126357947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).