2-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-4,5-diphenylfuran-3-carbonitrile

C24H14Br2N2O2 — CID 135800066

IUPAC2-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-4,5-diphenylfuran-3-carbonitrile
SMILESN#Cc1c(/N=C/c2cc(Br)cc(Br)c2O)oc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C24H14Br2N2O2/c25-18-11-17(22(29)20(26)12-18)14-28-24-19(13-27)21(15-7-3-1-4-8-15)23(30-24)16-9-5-2-6-10-16/h1-12,14,29H/b28-14+
InChIKeyVWCCGOUAFPICFI-CCVNUDIWSA-N
MW522.20 g/mol
LogP7.47
Rot. Bonds4

About 2-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-4,5-diphenylfuran-3-carbonitrile

2-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-4,5-diphenylfuran-3-carbonitrile (PubChem CID 135800066) has the molecular formula C24H14Br2N2O2 and a molecular weight of 522.20 g/mol. Its IUPAC name is 2-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-4,5-diphenylfuran-3-carbonitrile.

Molecular Properties

Compound Name2-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-4,5-diphenylfuran-3-carbonitrile
PubChem CID135800066
Molecular FormulaC24H14Br2N2O2
Molecular Weight522.20 g/mol
Exact Mass519.94
IUPAC Name2-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-4,5-diphenylfuran-3-carbonitrile
SMILESN#Cc1c(/N=C/c2cc(Br)cc(Br)c2O)oc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C24H14Br2N2O2/c25-18-11-17(22(29)20(26)12-18)14-28-24-19(13-27)21(15-7-3-1-4-8-15)23(30-24)16-9-5-2-6-10-16/h1-12,14,29H/b28-14+
InChIKeyVWCCGOUAFPICFI-CCVNUDIWSA-N
XLogP7.47
TPSA69.52 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.20
LogP ≤ 57.47
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

2-[(3-bromo-2-hydroxy-5-methoxyphenyl)methylideneamino]-4,5-diphenylfuran-3-carbonitrile
CID 137068725
2-[(2-hydroxy-5-methylphenyl)methylideneamino]-4,5-diphenylfuran-3-carbonitrile
CID 137095660
2-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-4,5-diphenylfuran-3-carbonitrile
CID 135509011
2-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-4,5-diphenylfuran-3-carbonitrile
CID 135676096
2-[(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-4,5-diphenylfuran-3-carbonitrile
CID 2645930
2-[(5-bromo-2,4-dihydroxyphenyl)methylideneamino]-4,5-bis(4-methoxyphenyl)furan-3-carbonitrile
CID 3778168
2-[(3-bromo-2-hydroxy-5-nitrophenyl)methylideneamino]-4,5-bis(4-methoxyphenyl)furan-3-carbonitrile
CID 137059951
2-[(2-hydroxy-3,5-diiodophenyl)methylideneamino]-4,5-bis(4-methoxyphenyl)furan-3-carbonitrile
CID 137059908
ethyl N-[5-(4-bromophenyl)-3-cyano-4-phenylfuran-2-yl]methanimidate
CID 91322901
2-[(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-4,5-diphenylfuran-3-carbonitrile
CID 3595524
2-[[3-bromo-4-[(4-bromophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-4,5-diphenylfuran-3-carbonitrile
CID 126148077
2-[(E)-(6-methoxy-2,3-diphenyl-1H-indol-5-yl)methylideneamino]-4,5-diphenylfuran-3-carbonitrile
CID 10008182

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-4,5-diphenylfuran-3-carbonitrile?
The IUPAC name of 2-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-4,5-diphenylfuran-3-carbonitrile (CID 135800066) is 2-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-4,5-diphenylfuran-3-carbonitrile.
What is the SMILES notation for 2-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-4,5-diphenylfuran-3-carbonitrile?
The canonical SMILES for 2-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-4,5-diphenylfuran-3-carbonitrile is N#Cc1c(/N=C/c2cc(Br)cc(Br)c2O)oc(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of 2-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-4,5-diphenylfuran-3-carbonitrile?
The InChIKey is VWCCGOUAFPICFI-CCVNUDIWSA-N. The full InChI is InChI=1S/C24H14Br2N2O2/c25-18-11-17(22(29)20(26)12-18)14-28-24-19(13-27)21(15-7-3-1-4-8-15)23(30-24)16-9-5-2-6-10-16/h1-12,14,29H/b28-14+.
What are the key properties of 2-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-4,5-diphenylfuran-3-carbonitrile?
2-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-4,5-diphenylfuran-3-carbonitrile has a molecular weight of 522.20 g/mol, XLogP of 7.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-4,5-diphenylfuran-3-carbonitrile is sourced from PubChem (CID 135800066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).