N-[3-[(3-cyano-4,5-diphenylfuran-2-yl)iminomethyl]phenyl]-4-methylbenzamide

C32H23N3O2 — CID 23941523

IUPACN-[3-[(3-cyano-4,5-diphenylfuran-2-yl)iminomethyl]phenyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2cccc(C=Nc3oc(-c4ccccc4)c(-c4ccccc4)c3C#N)c2)cc1
InChIInChI=1S/C32H23N3O2/c1-22-15-17-26(18-16-22)31(36)35-27-14-8-9-23(19-27)21-34-32-28(20-33)29(24-10-4-2-5-11-24)30(37-32)25-12-6-3-7-13-25/h2-19,21H,1H3,(H,35,36)
InChIKeyYMZQBCBFBJPZHQ-UHFFFAOYSA-N
MW481.56 g/mol
LogP7.80
Rot. Bonds6

About N-[3-[(3-cyano-4,5-diphenylfuran-2-yl)iminomethyl]phenyl]-4-methylbenzamide

N-[3-[(3-cyano-4,5-diphenylfuran-2-yl)iminomethyl]phenyl]-4-methylbenzamide (PubChem CID 23941523) has the molecular formula C32H23N3O2 and a molecular weight of 481.56 g/mol. Its IUPAC name is N-[3-[(3-cyano-4,5-diphenylfuran-2-yl)iminomethyl]phenyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[3-[(3-cyano-4,5-diphenylfuran-2-yl)iminomethyl]phenyl]-4-methylbenzamide
PubChem CID23941523
Molecular FormulaC32H23N3O2
Molecular Weight481.56 g/mol
Exact Mass481.18
IUPAC NameN-[3-[(3-cyano-4,5-diphenylfuran-2-yl)iminomethyl]phenyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2cccc(C=Nc3oc(-c4ccccc4)c(-c4ccccc4)c3C#N)c2)cc1
InChIInChI=1S/C32H23N3O2/c1-22-15-17-26(18-16-22)31(36)35-27-14-8-9-23(19-27)21-34-32-28(20-33)29(24-10-4-2-5-11-24)30(37-32)25-12-6-3-7-13-25/h2-19,21H,1H3,(H,35,36)
InChIKeyYMZQBCBFBJPZHQ-UHFFFAOYSA-N
XLogP7.80
TPSA78.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.56
LogP ≤ 57.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-cyano-4,5-diphenylfuran-2-yl)-4-methylbenzamide
CID 108757664
2-[(3,4-dihydroxyphenyl)methylideneamino]-4,5-bis(4-methylphenyl)furan-3-carbonitrile
CID 137149931
2-[(2-hydroxy-5-methylphenyl)methylideneamino]-4,5-diphenylfuran-3-carbonitrile
CID 137095660
2-[(4-iodophenyl)methylideneamino]-4,5-bis(4-methylphenyl)furan-3-carbonitrile
CID 126370488
2-[[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-4,5-bis(4-methylphenyl)furan-3-carbonitrile
CID 126350124
2-[(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-4,5-diphenylfuran-3-carbonitrile
CID 2645930
N-(3-formylphenyl)-4-methylbenzamide
CID 2339361
ethyl 3-[5-[[3-cyano-4,5-bis(4-methylphenyl)furan-2-yl]iminomethyl]furan-2-yl]benzoate
CID 126359194
N-(3-cyano-4,5-diphenylfuran-2-yl)-4-(methanesulfonamido)benzamide
CID 108757692
N-[3-[(E)-(benzenesulfonylhydrazinylidene)methyl]phenyl]-4-methylbenzamide
CID 6910126
2-[(3-nitro-4-phenylsulfanylphenyl)methylideneamino]-4,5-diphenylfuran-3-carbonitrile
CID 126122872
N-(3-cyano-4,5-diphenylfuran-2-yl)-2,3-dimethylquinoxaline-6-carboxamide
CID 108757752

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3-cyano-4,5-diphenylfuran-2-yl)iminomethyl]phenyl]-4-methylbenzamide?
The IUPAC name of N-[3-[(3-cyano-4,5-diphenylfuran-2-yl)iminomethyl]phenyl]-4-methylbenzamide (CID 23941523) is N-[3-[(3-cyano-4,5-diphenylfuran-2-yl)iminomethyl]phenyl]-4-methylbenzamide.
What is the SMILES notation for N-[3-[(3-cyano-4,5-diphenylfuran-2-yl)iminomethyl]phenyl]-4-methylbenzamide?
The canonical SMILES for N-[3-[(3-cyano-4,5-diphenylfuran-2-yl)iminomethyl]phenyl]-4-methylbenzamide is Cc1ccc(C(=O)Nc2cccc(C=Nc3oc(-c4ccccc4)c(-c4ccccc4)c3C#N)c2)cc1.
What is the InChIKey of N-[3-[(3-cyano-4,5-diphenylfuran-2-yl)iminomethyl]phenyl]-4-methylbenzamide?
The InChIKey is YMZQBCBFBJPZHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H23N3O2/c1-22-15-17-26(18-16-22)31(36)35-27-14-8-9-23(19-27)21-34-32-28(20-33)29(24-10-4-2-5-11-24)30(37-32)25-12-6-3-7-13-25/h2-19,21H,1H3,(H,35,36).
What are the key properties of N-[3-[(3-cyano-4,5-diphenylfuran-2-yl)iminomethyl]phenyl]-4-methylbenzamide?
N-[3-[(3-cyano-4,5-diphenylfuran-2-yl)iminomethyl]phenyl]-4-methylbenzamide has a molecular weight of 481.56 g/mol, XLogP of 7.80, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3-cyano-4,5-diphenylfuran-2-yl)iminomethyl]phenyl]-4-methylbenzamide is sourced from PubChem (CID 23941523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).