1-[1-[(Z)-(3-anthracen-9-yl-2-hydroxyphenyl)methylideneamino]-5-(2,4-dimethylphenyl)-2-methylpyrrol-3-yl]ethanone

C36H30N2O2 — CID 136614101

IUPAC1-[1-[(Z)-(3-anthracen-9-yl-2-hydroxyphenyl)methylideneamino]-5-(2,4-dimethylphenyl)-2-methylpyrrol-3-yl]ethanone
SMILESCC(=O)c1cc(-c2ccc(C)cc2C)n(/N=C\c2cccc(-c3c4ccccc4cc4ccccc34)c2O)c1C
InChIInChI=1S/C36H30N2O2/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/h5-21,40H,1-4H3/b37-21-
InChIKeyQCEJDJJLCKJQAQ-DBSPGSINSA-N
MW522.65 g/mol
LogP8.84
Rot. Bonds5

About 1-[1-[(Z)-(3-anthracen-9-yl-2-hydroxyphenyl)methylideneamino]-5-(2,4-dimethylphenyl)-2-methylpyrrol-3-yl]ethanone

1-[1-[(Z)-(3-anthracen-9-yl-2-hydroxyphenyl)methylideneamino]-5-(2,4-dimethylphenyl)-2-methylpyrrol-3-yl]ethanone (PubChem CID 136614101) has the molecular formula C36H30N2O2 and a molecular weight of 522.65 g/mol. Its IUPAC name is 1-[1-[(Z)-(3-anthracen-9-yl-2-hydroxyphenyl)methylideneamino]-5-(2,4-dimethylphenyl)-2-methylpyrrol-3-yl]ethanone.

Molecular Properties

Compound Name1-[1-[(Z)-(3-anthracen-9-yl-2-hydroxyphenyl)methylideneamino]-5-(2,4-dimethylphenyl)-2-methylpyrrol-3-yl]ethanone
PubChem CID136614101
Molecular FormulaC36H30N2O2
Molecular Weight522.65 g/mol
Exact Mass522.23
IUPAC Name1-[1-[(Z)-(3-anthracen-9-yl-2-hydroxyphenyl)methylideneamino]-5-(2,4-dimethylphenyl)-2-methylpyrrol-3-yl]ethanone
SMILESCC(=O)c1cc(-c2ccc(C)cc2C)n(/N=C\c2cccc(-c3c4ccccc4cc4ccccc34)c2O)c1C
InChIInChI=1S/C36H30N2O2/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/h5-21,40H,1-4H3/b37-21-
InChIKeyQCEJDJJLCKJQAQ-DBSPGSINSA-N
XLogP8.84
TPSA54.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.65
LogP ≤ 58.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[(Z)-(3-anthracen-9-yl-2-hydroxyphenyl)methylideneamino]-5-(2,4-dimethylphenyl)-2-methylpyrrol-3-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-[(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
2-anthracen-9-yl-6-(pyrrol-1-yliminomethyl)phenol;bis(dichlorozirconium);2,4-dimethyl-6-(morpholin-4-yliminomethyl)phenol
CID 158760514
2-anthracen-9-yl-6-[(2-ethyl-6-propan-2-ylphenyl)iminomethyl]phenol;ethane
CID 145257725
acetonitrile;2-anthracen-9-yl-6-[[2,6-di(propan-2-yl)phenyl]iminomethyl]phenol;carbanide;nickel
CID 135497174
ethyl 1-[(Z)-(2-hydroxy-3-methylphenyl)methylideneamino]-2,5-dimethylpyrrole-3-carboxylate
CID 136657562
3-[(2-hydroxy-3-methylphenyl)methylideneamino]-2-methylquinazolin-4-one
CID 936423
1-(6-methylnaphthalen-1-yl)ethanone
CID 15563484
10-(2,4-dimethylphenyl)-1,3-dimethylanthracene
CID 44551760
3-[(2-hydroxy-3-methylphenyl)methylideneamino]-2-propylquinazolin-4-one
CID 936802
1-[2-methyl-1-(4-methylphenyl)-5-naphthalen-2-ylpyrrol-3-yl]ethanone
CID 132600501
3-[(2-ethylimino-4-naphthalen-1-yl-1,3-thiazol-3-yl)iminomethyl]benzene-1,2-diol
CID 135823380

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(Z)-(3-anthracen-9-yl-2-hydroxyphenyl)methylideneamino]-5-(2,4-dimethylphenyl)-2-methylpyrrol-3-yl]ethanone?
The IUPAC name of 1-[1-[(Z)-(3-anthracen-9-yl-2-hydroxyphenyl)methylideneamino]-5-(2,4-dimethylphenyl)-2-methylpyrrol-3-yl]ethanone (CID 136614101) is 1-[1-[(Z)-(3-anthracen-9-yl-2-hydroxyphenyl)methylideneamino]-5-(2,4-dimethylphenyl)-2-methylpyrrol-3-yl]ethanone.
What is the SMILES notation for 1-[1-[(Z)-(3-anthracen-9-yl-2-hydroxyphenyl)methylideneamino]-5-(2,4-dimethylphenyl)-2-methylpyrrol-3-yl]ethanone?
The canonical SMILES for 1-[1-[(Z)-(3-anthracen-9-yl-2-hydroxyphenyl)methylideneamino]-5-(2,4-dimethylphenyl)-2-methylpyrrol-3-yl]ethanone is CC(=O)c1cc(-c2ccc(C)cc2C)n(/N=C\c2cccc(-c3c4ccccc4cc4ccccc34)c2O)c1C.
What is the InChIKey of 1-[1-[(Z)-(3-anthracen-9-yl-2-hydroxyphenyl)methylideneamino]-5-(2,4-dimethylphenyl)-2-methylpyrrol-3-yl]ethanone?
The InChIKey is QCEJDJJLCKJQAQ-DBSPGSINSA-N. The full InChI is InChI=1S/C36H30N2O2/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/h5-21,40H,1-4H3/b37-21-.
What are the key properties of 1-[1-[(Z)-(3-anthracen-9-yl-2-hydroxyphenyl)methylideneamino]-5-(2,4-dimethylphenyl)-2-methylpyrrol-3-yl]ethanone?
1-[1-[(Z)-(3-anthracen-9-yl-2-hydroxyphenyl)methylideneamino]-5-(2,4-dimethylphenyl)-2-methylpyrrol-3-yl]ethanone has a molecular weight of 522.65 g/mol, XLogP of 8.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(Z)-(3-anthracen-9-yl-2-hydroxyphenyl)methylideneamino]-5-(2,4-dimethylphenyl)-2-methylpyrrol-3-yl]ethanone is sourced from PubChem (CID 136614101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).