4,5-bis(4-methoxyphenyl)-2-[(E)-(2,4,5-trimethoxyphenyl)methylideneamino]furan-3-carbonitrile

C29H26N2O6 — CID 21240132

IUPAC4,5-bis(4-methoxyphenyl)-2-[(E)-(2,4,5-trimethoxyphenyl)methylideneamino]furan-3-carbonitrile
SMILESCOc1ccc(-c2oc(/N=C/c3cc(OC)c(OC)cc3OC)c(C#N)c2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C29H26N2O6/c1-32-21-10-6-18(7-11-21)27-23(16-30)29(37-28(27)19-8-12-22(33-2)13-9-19)31-17-20-14-25(35-4)26(36-5)15-24(20)34-3/h6-15,17H,1-5H3/b31-17+
InChIKeyDQGKRAWANBPZBW-KBVAKVRCSA-N
MW498.54 g/mol
LogP6.28
Rot. Bonds9

About 4,5-bis(4-methoxyphenyl)-2-[(E)-(2,4,5-trimethoxyphenyl)methylideneamino]furan-3-carbonitrile

4,5-bis(4-methoxyphenyl)-2-[(E)-(2,4,5-trimethoxyphenyl)methylideneamino]furan-3-carbonitrile (PubChem CID 21240132) has the molecular formula C29H26N2O6 and a molecular weight of 498.54 g/mol. Its IUPAC name is 4,5-bis(4-methoxyphenyl)-2-[(E)-(2,4,5-trimethoxyphenyl)methylideneamino]furan-3-carbonitrile.

Molecular Properties

Compound Name4,5-bis(4-methoxyphenyl)-2-[(E)-(2,4,5-trimethoxyphenyl)methylideneamino]furan-3-carbonitrile
PubChem CID21240132
Molecular FormulaC29H26N2O6
Molecular Weight498.54 g/mol
Exact Mass498.18
IUPAC Name4,5-bis(4-methoxyphenyl)-2-[(E)-(2,4,5-trimethoxyphenyl)methylideneamino]furan-3-carbonitrile
SMILESCOc1ccc(-c2oc(/N=C/c3cc(OC)c(OC)cc3OC)c(C#N)c2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C29H26N2O6/c1-32-21-10-6-18(7-11-21)27-23(16-30)29(37-28(27)19-8-12-22(33-2)13-9-19)31-17-20-14-25(35-4)26(36-5)15-24(20)34-3/h6-15,17H,1-5H3/b31-17+
InChIKeyDQGKRAWANBPZBW-KBVAKVRCSA-N
XLogP6.28
TPSA95.44 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.54
LogP ≤ 56.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-4,5-bis(4-methoxyphenyl)furan-3-carbonitrile
CID 137059625
2-[(5-bromo-2,4-dihydroxyphenyl)methylideneamino]-4,5-bis(4-methoxyphenyl)furan-3-carbonitrile
CID 3778168
2-[(2-hydroxy-3,5-diiodophenyl)methylideneamino]-4,5-bis(4-methoxyphenyl)furan-3-carbonitrile
CID 137059908
2-[(3-bromo-2-hydroxy-5-nitrophenyl)methylideneamino]-4,5-bis(4-methoxyphenyl)furan-3-carbonitrile
CID 137059951
2-[(3-bromo-2-hydroxy-5-methoxyphenyl)methylideneamino]-4,5-diphenylfuran-3-carbonitrile
CID 137068725
2-[(E)-(6-methoxy-2,3-diphenyl-1H-indol-5-yl)methylideneamino]-4,5-diphenylfuran-3-carbonitrile
CID 10008182
4,5-bis(4-methoxyphenyl)-2-[(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]furan-3-carbonitrile
CID 1102195
2-[[4-(diethylamino)phenyl]methylideneamino]-4,5-bis(4-methoxyphenyl)furan-3-carbonitrile
CID 23795745
2-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-4,5-diphenylfuran-3-carbonitrile
CID 135509011
2-[(3-chloro-5-ethoxy-4-hydroxyphenyl)methylideneamino]-4,5-bis(4-methoxyphenyl)furan-3-carbonitrile
CID 137073142
2-[(3-ethoxy-4-hydroxy-5-iodophenyl)methylideneamino]-4,5-bis(4-methoxyphenyl)furan-3-carbonitrile
CID 137059839
2-[[5-(3-bromo-4-methylphenyl)furan-2-yl]methylideneamino]-4,5-bis(4-methoxyphenyl)furan-3-carbonitrile
CID 126150184

Frequently Asked Questions

What is the IUPAC name of 4,5-bis(4-methoxyphenyl)-2-[(E)-(2,4,5-trimethoxyphenyl)methylideneamino]furan-3-carbonitrile?
The IUPAC name of 4,5-bis(4-methoxyphenyl)-2-[(E)-(2,4,5-trimethoxyphenyl)methylideneamino]furan-3-carbonitrile (CID 21240132) is 4,5-bis(4-methoxyphenyl)-2-[(E)-(2,4,5-trimethoxyphenyl)methylideneamino]furan-3-carbonitrile.
What is the SMILES notation for 4,5-bis(4-methoxyphenyl)-2-[(E)-(2,4,5-trimethoxyphenyl)methylideneamino]furan-3-carbonitrile?
The canonical SMILES for 4,5-bis(4-methoxyphenyl)-2-[(E)-(2,4,5-trimethoxyphenyl)methylideneamino]furan-3-carbonitrile is COc1ccc(-c2oc(/N=C/c3cc(OC)c(OC)cc3OC)c(C#N)c2-c2ccc(OC)cc2)cc1.
What is the InChIKey of 4,5-bis(4-methoxyphenyl)-2-[(E)-(2,4,5-trimethoxyphenyl)methylideneamino]furan-3-carbonitrile?
The InChIKey is DQGKRAWANBPZBW-KBVAKVRCSA-N. The full InChI is InChI=1S/C29H26N2O6/c1-32-21-10-6-18(7-11-21)27-23(16-30)29(37-28(27)19-8-12-22(33-2)13-9-19)31-17-20-14-25(35-4)26(36-5)15-24(20)34-3/h6-15,17H,1-5H3/b31-17+.
What are the key properties of 4,5-bis(4-methoxyphenyl)-2-[(E)-(2,4,5-trimethoxyphenyl)methylideneamino]furan-3-carbonitrile?
4,5-bis(4-methoxyphenyl)-2-[(E)-(2,4,5-trimethoxyphenyl)methylideneamino]furan-3-carbonitrile has a molecular weight of 498.54 g/mol, XLogP of 6.28, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-bis(4-methoxyphenyl)-2-[(E)-(2,4,5-trimethoxyphenyl)methylideneamino]furan-3-carbonitrile is sourced from PubChem (CID 21240132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).