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

C113H96N8O8 — CID 172932314

IUPAC1-[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
SMILESCC(=O)c1cc(-c2ccc(C)cc2C)n(/N=C/c2cccc(-c3c4ccccc4cc4ccccc34)c2O)c1C.CC(=O)c1cc(C)n(/N=C/c2cccc(-c3c4ccccc4cc4ccccc34)c2O)c1C.CCOC(=O)c1cc(C)n(/N=C/c2cc(C)cc(C)c2O)c1-c1ccccc1.Oc1c(/C=N/n2cccc2)cccc1-c1c2ccccc2cc2ccccc12
InChIInChI=1S/C36H30N2O2.C29H24N2O2.C25H18N2O.C23H24N2O3/c1-22-16-17-29(23(2)18-22)34-20-33(25(4)39)24(3)38(34)37-21-28-12-9-15-32(36(28)40)35-30-13-7-5-10-26(30)19-27-11-6-8-14-31(27)35;1-18-15-27(20(3)32)19(2)31(18)30-17-23-11-8-14-26(29(23)33)28-24-12-6-4-9-21(24)16-22-10-5-7-13-25(22)28;28-25-20(17-26-27-14-5-6-15-27)10-7-13-23(25)24-21-11-3-1-8-18(21)16-19-9-2-4-12-22(19)24;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/h5-21,40H,1-4H3;4-17,33H,1-3H3;1-17,28H;6-14,26H,5H2,1-4H3/b37-21+;30-17+;26-17+;24-14+
InChIKeyJRENEWRSVFVLBI-UILFANRASA-N
MW1694.06 g/mol
LogP26.61
Rot. Bonds17

About 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

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 (PubChem CID 172932314) has the molecular formula C113H96N8O8 and a molecular weight of 1694.06 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-[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
PubChem CID172932314
Molecular FormulaC113H96N8O8
Molecular Weight1694.06 g/mol
Exact Mass1692.74
IUPAC Name1-[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
SMILESCC(=O)c1cc(-c2ccc(C)cc2C)n(/N=C/c2cccc(-c3c4ccccc4cc4ccccc34)c2O)c1C.CC(=O)c1cc(C)n(/N=C/c2cccc(-c3c4ccccc4cc4ccccc34)c2O)c1C.CCOC(=O)c1cc(C)n(/N=C/c2cc(C)cc(C)c2O)c1-c1ccccc1.Oc1c(/C=N/n2cccc2)cccc1-c1c2ccccc2cc2ccccc12
InChIInChI=1S/C36H30N2O2.C29H24N2O2.C25H18N2O.C23H24N2O3/c1-22-16-17-29(23(2)18-22)34-20-33(25(4)39)24(3)38(34)37-21-28-12-9-15-32(36(28)40)35-30-13-7-5-10-26(30)19-27-11-6-8-14-31(27)35;1-18-15-27(20(3)32)19(2)31(18)30-17-23-11-8-14-26(29(23)33)28-24-12-6-4-9-21(24)16-22-10-5-7-13-25(22)28;28-25-20(17-26-27-14-5-6-15-27)10-7-13-23(25)24-21-11-3-1-8-18(21)16-19-9-2-4-12-22(19)24;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/h5-21,40H,1-4H3;4-17,33H,1-3H3;1-17,28H;6-14,26H,5H2,1-4H3/b37-21+;30-17+;26-17+;24-14+
InChIKeyJRENEWRSVFVLBI-UILFANRASA-N
XLogP26.61
TPSA210.52 Ų
H-Bond Donors4
H-Bond Acceptors16
Rotatable Bonds17
Heavy Atoms129
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001694.06
LogP ≤ 526.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

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
1-[1-[(Z)-(3-anthracen-9-yl-2-hydroxyphenyl)methylideneamino]-5-(2,4-dimethylphenyl)-2-methylpyrrol-3-yl]ethanone
CID 136614101
ethyl 1-[(Z)-(2-hydroxy-3-methylphenyl)methylideneamino]-2,5-dimethylpyrrole-3-carboxylate
CID 136657562
2-anthracen-9-yl-6-(pyrrol-1-yliminomethyl)phenol;bis(dichlorozirconium);2,4-dimethyl-6-(morpholin-4-yliminomethyl)phenol
CID 158760514
ethyl 1-[(E)-(3,5-dibutyl-2-hydroxyphenyl)methylideneamino]-5-methyl-2-phenylpyrrole-3-carboxylate
CID 142013810
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
2-[(E)-(2,5-dimethylpyrrol-1-yl)iminomethyl]-4,6-dimethylphenol;tris(2,4-dimethyl-6-[(E)-(2,3,5-trimethylpyrrol-1-yl)iminomethyl]phenol)
CID 172917852
ethyl 1-hydroxy-6-methyl-4-phenylnaphthalene-2-carboxylate
CID 152738087
3-[(2-hydroxy-3-methylphenyl)methylideneamino]-2-propylquinazolin-4-one
CID 936802
3-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-2-phenylquinazolin-4-one
CID 135452571
2-anthracen-9-yl-6-[(2-ethyl-6-propan-2-ylphenyl)iminomethyl]phenol;ethane
CID 145257725

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(=O)c1cc(-c2ccc(C)cc2C)n(/N=C/c2cccc(-c3c4ccccc4cc4ccccc34)c2O)c1C.CC(=O)c1cc(C)n(/N=C/c2cccc(-c3c4ccccc4cc4ccccc34)c2O)c1C.CCOC(=O)c1cc(C)n(/N=C/c2cc(C)cc(C)c2O)c1-c1ccccc1.Oc1c(/C=N/n2cccc2)cccc1-c1c2ccccc2cc2ccccc12.
What is the InChIKey of 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?
The InChIKey is JRENEWRSVFVLBI-UILFANRASA-N. The full InChI is InChI=1S/C36H30N2O2.C29H24N2O2.C25H18N2O.C23H24N2O3/c1-22-16-17-29(23(2)18-22)34-20-33(25(4)39)24(3)38(34)37-21-28-12-9-15-32(36(28)40)35-30-13-7-5-10-26(30)19-27-11-6-8-14-31(27)35;1-18-15-27(20(3)32)19(2)31(18)30-17-23-11-8-14-26(29(23)33)28-24-12-6-4-9-21(24)16-22-10-5-7-13-25(22)28;28-25-20(17-26-27-14-5-6-15-27)10-7-13-23(25)24-21-11-3-1-8-18(21)16-19-9-2-4-12-22(19)24;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/h5-21,40H,1-4H3;4-17,33H,1-3H3;1-17,28H;6-14,26H,5H2,1-4H3/b37-21+;30-17+;26-17+;24-14+.
What are the key properties of 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?
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 has a molecular weight of 1694.06 g/mol, XLogP of 26.61, 17 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 172932314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).