ethyl 1-[(E)-(3-anthracen-9-yl-2-hydroxyphenyl)methylideneamino]-5-(2,4-dimethoxyphenyl)-2-methylpyrrole-3-carboxylate;ethyl 1-[(E)-(3-anthracen-9-yl-2-hydroxyphenyl)methylideneamino]-2,5-dimethylpyrrole-3-carboxylate;ethyl 1-[(E)-(2-hydroxy-3,5-dimethylphenyl)methylideneamino]-5-methyl-2-phenylpyrrole-3-carboxylate

C90H82N6O11 — CID 172963547

IUPACethyl 1-[(E)-(3-anthracen-9-yl-2-hydroxyphenyl)methylideneamino]-5-(2,4-dimethoxyphenyl)-2-methylpyrrole-3-carboxylate;ethyl 1-[(E)-(3-anthracen-9-yl-2-hydroxyphenyl)methylideneamino]-2,5-dimethylpyrrole-3-carboxylate;ethyl 1-[(E)-(2-hydroxy-3,5-dimethylphenyl)methylideneamino]-5-methyl-2-phenylpyrrole-3-carboxylate
SMILESCCOC(=O)c1cc(-c2ccc(OC)cc2OC)n(/N=C/c2cccc(-c3c4ccccc4cc4ccccc34)c2O)c1C.CCOC(=O)c1cc(C)n(/N=C/c2cc(C)cc(C)c2O)c1-c1ccccc1.CCOC(=O)c1cc(C)n(/N=C/c2cccc(-c3c4ccccc4cc4ccccc34)c2O)c1C
InChIInChI=1S/C37H32N2O5.C30H26N2O3.C23H24N2O3/c1-5-44-37(41)32-21-33(30-18-17-27(42-3)20-34(30)43-4)39(23(32)2)38-22-26-13-10-16-31(36(26)40)35-28-14-8-6-11-24(28)19-25-12-7-9-15-29(25)35;1-4-35-30(34)27-16-19(2)32(20(27)3)31-18-23-12-9-15-26(29(23)33)28-24-13-7-5-10-21(24)17-22-11-6-8-14-25(22)28;1-5-28-23(27)20-13-17(4)25(21(20)18-9-7-6-8-10-18)24-14-19-12-15(2)11-16(3)22(19)26/h6-22,40H,5H2,1-4H3;5-18,33H,4H2,1-3H3;6-14,26H,5H2,1-4H3/b38-22+;31-18+;24-14+
InChIKeyXUGKLONSSDMXRY-KQSZPERPSA-N
MW1423.68 g/mol
LogP19.91
Rot. Bonds18

About ethyl 1-[(E)-(3-anthracen-9-yl-2-hydroxyphenyl)methylideneamino]-5-(2,4-dimethoxyphenyl)-2-methylpyrrole-3-carboxylate;ethyl 1-[(E)-(3-anthracen-9-yl-2-hydroxyphenyl)methylideneamino]-2,5-dimethylpyrrole-3-carboxylate;ethyl 1-[(E)-(2-hydroxy-3,5-dimethylphenyl)methylideneamino]-5-methyl-2-phenylpyrrole-3-carboxylate

ethyl 1-[(E)-(3-anthracen-9-yl-2-hydroxyphenyl)methylideneamino]-5-(2,4-dimethoxyphenyl)-2-methylpyrrole-3-carboxylate;ethyl 1-[(E)-(3-anthracen-9-yl-2-hydroxyphenyl)methylideneamino]-2,5-dimethylpyrrole-3-carboxylate;ethyl 1-[(E)-(2-hydroxy-3,5-dimethylphenyl)methylideneamino]-5-methyl-2-phenylpyrrole-3-carboxylate (PubChem CID 172963547) has the molecular formula C90H82N6O11 and a molecular weight of 1423.68 g/mol. Its IUPAC name is ethyl 1-[(E)-(3-anthracen-9-yl-2-hydroxyphenyl)methylideneamino]-5-(2,4-dimethoxyphenyl)-2-methylpyrrole-3-carboxylate;ethyl 1-[(E)-(3-anthracen-9-yl-2-hydroxyphenyl)methylideneamino]-2,5-dimethylpyrrole-3-carboxylate;ethyl 1-[(E)-(2-hydroxy-3,5-dimethylphenyl)methylideneamino]-5-methyl-2-phenylpyrrole-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-[(E)-(3-anthracen-9-yl-2-hydroxyphenyl)methylideneamino]-5-(2,4-dimethoxyphenyl)-2-methylpyrrole-3-carboxylate;ethyl 1-[(E)-(3-anthracen-9-yl-2-hydroxyphenyl)methylideneamino]-2,5-dimethylpyrrole-3-carboxylate;ethyl 1-[(E)-(2-hydroxy-3,5-dimethylphenyl)methylideneamino]-5-methyl-2-phenylpyrrole-3-carboxylate
PubChem CID172963547
Molecular FormulaC90H82N6O11
Molecular Weight1423.68 g/mol
Exact Mass1422.60
IUPAC Nameethyl 1-[(E)-(3-anthracen-9-yl-2-hydroxyphenyl)methylideneamino]-5-(2,4-dimethoxyphenyl)-2-methylpyrrole-3-carboxylate;ethyl 1-[(E)-(3-anthracen-9-yl-2-hydroxyphenyl)methylideneamino]-2,5-dimethylpyrrole-3-carboxylate;ethyl 1-[(E)-(2-hydroxy-3,5-dimethylphenyl)methylideneamino]-5-methyl-2-phenylpyrrole-3-carboxylate
SMILESCCOC(=O)c1cc(-c2ccc(OC)cc2OC)n(/N=C/c2cccc(-c3c4ccccc4cc4ccccc34)c2O)c1C.CCOC(=O)c1cc(C)n(/N=C/c2cc(C)cc(C)c2O)c1-c1ccccc1.CCOC(=O)c1cc(C)n(/N=C/c2cccc(-c3c4ccccc4cc4ccccc34)c2O)c1C
InChIInChI=1S/C37H32N2O5.C30H26N2O3.C23H24N2O3/c1-5-44-37(41)32-21-33(30-18-17-27(42-3)20-34(30)43-4)39(23(32)2)38-22-26-13-10-16-31(36(26)40)35-28-14-8-6-11-24(28)19-25-12-7-9-15-29(25)35;1-4-35-30(34)27-16-19(2)32(20(27)3)31-18-23-12-9-15-26(29(23)33)28-24-13-7-5-10-21(24)17-22-11-6-8-14-25(22)28;1-5-28-23(27)20-13-17(4)25(21(20)18-9-7-6-8-10-18)24-14-19-12-15(2)11-16(3)22(19)26/h6-22,40H,5H2,1-4H3;5-18,33H,4H2,1-3H3;6-14,26H,5H2,1-4H3/b38-22+;31-18+;24-14+
InChIKeyXUGKLONSSDMXRY-KQSZPERPSA-N
XLogP19.91
TPSA209.92 Ų
H-Bond Donors3
H-Bond Acceptors17
Rotatable Bonds18
Heavy Atoms107
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001423.68
LogP ≤ 519.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze ethyl 1-[(E)-(3-anthracen-9-yl-2-hydroxyphenyl)methylideneamino]-5-(2,4-dimethoxyphenyl)-2-methylpyrrole-3-carboxylate;ethyl 1-[(E)-(3-anthracen-9-yl-2-hydroxyphenyl)methylideneamino]-2,5-dimethylpyrrole-3-carboxylate;ethyl 1-[(E)-(2-hydroxy-3,5-dimethylphenyl)methylideneamino]-5-methyl-2-phenylpyrrole-3-carboxylate with MolForge

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Related Compounds

1-[1-[(E)-(3-anthracen-9-yl-2-hydroxyphenyl)methylideneamino]-5-(2,4-dimethylphenyl)-2-methylpyrrol-3-yl]ethanone;1-[1-[(E)-(3-anthracen-9-yl-2-hydroxyphenyl)methylideneamino]-2,5-dimethylpyrrol-3-yl]ethanone;2-anthracen-9-yl-6-[(E)-pyrrol-1-yliminomethyl]phenol;ethyl 1-[(E)-(2-hydroxy-3,5-dimethylphenyl)methylideneamino]-5-methyl-2-phenylpyrrole-3-carboxylate
CID 172932314
ethyl 1-[(Z)-(2-hydroxy-3-methylphenyl)methylideneamino]-2,5-dimethylpyrrole-3-carboxylate
CID 136657562
ethyl 1-[3-(2,5-diphenylpyrrol-1-yl)iminobutan-2-ylideneamino]-5-naphthalen-1-yl-2-phenylpyrrole-3-carboxylate
CID 72655982
ethyl 2-butyl-1-[(E)-(3-butyl-2-hydroxy-5-methylphenyl)methylideneamino]-5-phenylpyrrole-3-carboxylate
CID 142013889
ethyl 1-(3-methoxyphenyl)-5-methyl-2-phenylpyrrole-3-carboxylate
CID 59324439
2-anthracen-9-yl-6-(pyrrol-1-yliminomethyl)phenol;bis(dichlorozirconium);2,4-dimethyl-6-(morpholin-4-yliminomethyl)phenol
CID 158760514
3-[(2,4-dimethoxyphenyl)methylideneamino]-2-(4-ethoxy-2-methyl-5-propan-2-ylphenyl)quinazolin-4-one
CID 126284871
4-[[2-benzylimino-4-(2,4-dimethoxyphenyl)-1,3-thiazol-3-yl]iminomethyl]benzene-1,2,3-triol
CID 135841026
3-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-2-phenylquinazolin-4-one
CID 135452571
3-[(5-chloro-2-hydroxy-3-methoxyphenyl)methylideneamino]-2-phenylquinazolin-4-one
CID 137058327
naphthalen-1-ylmethyl 2,4-dimethoxybenzoate
CID 2504618
diethyl 6-methoxyazulene-1,3-dicarboxylate
CID 101063451

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(E)-(3-anthracen-9-yl-2-hydroxyphenyl)methylideneamino]-5-(2,4-dimethoxyphenyl)-2-methylpyrrole-3-carboxylate;ethyl 1-[(E)-(3-anthracen-9-yl-2-hydroxyphenyl)methylideneamino]-2,5-dimethylpyrrole-3-carboxylate;ethyl 1-[(E)-(2-hydroxy-3,5-dimethylphenyl)methylideneamino]-5-methyl-2-phenylpyrrole-3-carboxylate?
The IUPAC name of ethyl 1-[(E)-(3-anthracen-9-yl-2-hydroxyphenyl)methylideneamino]-5-(2,4-dimethoxyphenyl)-2-methylpyrrole-3-carboxylate;ethyl 1-[(E)-(3-anthracen-9-yl-2-hydroxyphenyl)methylideneamino]-2,5-dimethylpyrrole-3-carboxylate;ethyl 1-[(E)-(2-hydroxy-3,5-dimethylphenyl)methylideneamino]-5-methyl-2-phenylpyrrole-3-carboxylate (CID 172963547) is ethyl 1-[(E)-(3-anthracen-9-yl-2-hydroxyphenyl)methylideneamino]-5-(2,4-dimethoxyphenyl)-2-methylpyrrole-3-carboxylate;ethyl 1-[(E)-(3-anthracen-9-yl-2-hydroxyphenyl)methylideneamino]-2,5-dimethylpyrrole-3-carboxylate;ethyl 1-[(E)-(2-hydroxy-3,5-dimethylphenyl)methylideneamino]-5-methyl-2-phenylpyrrole-3-carboxylate.
What is the SMILES notation for ethyl 1-[(E)-(3-anthracen-9-yl-2-hydroxyphenyl)methylideneamino]-5-(2,4-dimethoxyphenyl)-2-methylpyrrole-3-carboxylate;ethyl 1-[(E)-(3-anthracen-9-yl-2-hydroxyphenyl)methylideneamino]-2,5-dimethylpyrrole-3-carboxylate;ethyl 1-[(E)-(2-hydroxy-3,5-dimethylphenyl)methylideneamino]-5-methyl-2-phenylpyrrole-3-carboxylate?
The canonical SMILES for ethyl 1-[(E)-(3-anthracen-9-yl-2-hydroxyphenyl)methylideneamino]-5-(2,4-dimethoxyphenyl)-2-methylpyrrole-3-carboxylate;ethyl 1-[(E)-(3-anthracen-9-yl-2-hydroxyphenyl)methylideneamino]-2,5-dimethylpyrrole-3-carboxylate;ethyl 1-[(E)-(2-hydroxy-3,5-dimethylphenyl)methylideneamino]-5-methyl-2-phenylpyrrole-3-carboxylate is CCOC(=O)c1cc(-c2ccc(OC)cc2OC)n(/N=C/c2cccc(-c3c4ccccc4cc4ccccc34)c2O)c1C.CCOC(=O)c1cc(C)n(/N=C/c2cc(C)cc(C)c2O)c1-c1ccccc1.CCOC(=O)c1cc(C)n(/N=C/c2cccc(-c3c4ccccc4cc4ccccc34)c2O)c1C.
What is the InChIKey of ethyl 1-[(E)-(3-anthracen-9-yl-2-hydroxyphenyl)methylideneamino]-5-(2,4-dimethoxyphenyl)-2-methylpyrrole-3-carboxylate;ethyl 1-[(E)-(3-anthracen-9-yl-2-hydroxyphenyl)methylideneamino]-2,5-dimethylpyrrole-3-carboxylate;ethyl 1-[(E)-(2-hydroxy-3,5-dimethylphenyl)methylideneamino]-5-methyl-2-phenylpyrrole-3-carboxylate?
The InChIKey is XUGKLONSSDMXRY-KQSZPERPSA-N. The full InChI is InChI=1S/C37H32N2O5.C30H26N2O3.C23H24N2O3/c1-5-44-37(41)32-21-33(30-18-17-27(42-3)20-34(30)43-4)39(23(32)2)38-22-26-13-10-16-31(36(26)40)35-28-14-8-6-11-24(28)19-25-12-7-9-15-29(25)35;1-4-35-30(34)27-16-19(2)32(20(27)3)31-18-23-12-9-15-26(29(23)33)28-24-13-7-5-10-21(24)17-22-11-6-8-14-25(22)28;1-5-28-23(27)20-13-17(4)25(21(20)18-9-7-6-8-10-18)24-14-19-12-15(2)11-16(3)22(19)26/h6-22,40H,5H2,1-4H3;5-18,33H,4H2,1-3H3;6-14,26H,5H2,1-4H3/b38-22+;31-18+;24-14+.
What are the key properties of ethyl 1-[(E)-(3-anthracen-9-yl-2-hydroxyphenyl)methylideneamino]-5-(2,4-dimethoxyphenyl)-2-methylpyrrole-3-carboxylate;ethyl 1-[(E)-(3-anthracen-9-yl-2-hydroxyphenyl)methylideneamino]-2,5-dimethylpyrrole-3-carboxylate;ethyl 1-[(E)-(2-hydroxy-3,5-dimethylphenyl)methylideneamino]-5-methyl-2-phenylpyrrole-3-carboxylate?
ethyl 1-[(E)-(3-anthracen-9-yl-2-hydroxyphenyl)methylideneamino]-5-(2,4-dimethoxyphenyl)-2-methylpyrrole-3-carboxylate;ethyl 1-[(E)-(3-anthracen-9-yl-2-hydroxyphenyl)methylideneamino]-2,5-dimethylpyrrole-3-carboxylate;ethyl 1-[(E)-(2-hydroxy-3,5-dimethylphenyl)methylideneamino]-5-methyl-2-phenylpyrrole-3-carboxylate has a molecular weight of 1423.68 g/mol, XLogP of 19.91, 18 rotatable bonds, 3 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[(E)-(3-anthracen-9-yl-2-hydroxyphenyl)methylideneamino]-5-(2,4-dimethoxyphenyl)-2-methylpyrrole-3-carboxylate;ethyl 1-[(E)-(3-anthracen-9-yl-2-hydroxyphenyl)methylideneamino]-2,5-dimethylpyrrole-3-carboxylate;ethyl 1-[(E)-(2-hydroxy-3,5-dimethylphenyl)methylideneamino]-5-methyl-2-phenylpyrrole-3-carboxylate is sourced from PubChem (CID 172963547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).