9-(4-acridin-9-yl-1-phenylpyrrol-2-yl)acridine;5-(2-aminopyrimidin-4-yl)-1-ethyl-2-phenylpyrrole-3-carboxylic acid;carbon dioxide;ethyl 5-(2-aminopyrimidin-4-yl)-1-ethyl-2-phenylpyrrole-3-carboxylate;1-methyl-2-phenyl-5-pyridin-3-ylpyrrole-3-carboxylic acid;1-[4-pyridin-3-yl-2-(3,4,5-trimethoxyphenyl)pyrrol-1-yl]ethanone

C110H93N15O12 — CID 158769882

About 9-(4-acridin-9-yl-1-phenylpyrrol-2-yl)acridine;5-(2-aminopyrimidin-4-yl)-1-ethyl-2-phenylpyrrole-3-carboxylic acid;carbon dioxide;ethyl 5-(2-aminopyrimidin-4-yl)-1-ethyl-2-phenylpyrrole-3-carboxylate;1-methyl-2-phenyl-5-pyridin-3-ylpyrrole-3-carboxylic acid;1-[4-pyridin-3-yl-2-(3,4,5-trimethoxyphenyl)pyrrol-1-yl]ethanone

9-(4-acridin-9-yl-1-phenylpyrrol-2-yl)acridine;5-(2-aminopyrimidin-4-yl)-1-ethyl-2-phenylpyrrole-3-carboxylic acid;carbon dioxide;ethyl 5-(2-aminopyrimidin-4-yl)-1-ethyl-2-phenylpyrrole-3-carboxylate;1-methyl-2-phenyl-5-pyridin-3-ylpyrrole-3-carboxylic acid;1-[4-pyridin-3-yl-2-(3,4,5-trimethoxyphenyl)pyrrol-1-yl]ethanone (PubChem CID 158769882) has the molecular formula C110H93N15O12 and a molecular weight of 1817.05 g/mol. Its IUPAC name is 9-(4-acridin-9-yl-1-phenylpyrrol-2-yl)acridine;5-(2-aminopyrimidin-4-yl)-1-ethyl-2-phenylpyrrole-3-carboxylic acid;carbon dioxide;ethyl 5-(2-aminopyrimidin-4-yl)-1-ethyl-2-phenylpyrrole-3-carboxylate;1-methyl-2-phenyl-5-pyridin-3-ylpyrrole-3-carboxylic acid;1-[4-pyridin-3-yl-2-(3,4,5-trimethoxyphenyl)pyrrol-1-yl]ethanone.

Molecular Properties

• Compound Name: 9-(4-acridin-9-yl-1-phenylpyrrol-2-yl)acridine;5-(2-aminopyrimidin-4-yl)-1-ethyl-2-phenylpyrrole-3-carboxylic acid;carbon dioxide;ethyl 5-(2-aminopyrimidin-4-yl)-1-ethyl-2-phenylpyrrole-3-carboxylate;1-methyl-2-phenyl-5-pyridin-3-ylpyrrole-3-carboxylic acid;1-[4-pyridin-3-yl-2-(3,4,5-trimethoxyphenyl)pyrrol-1-yl]ethanone
• PubChem CID: 158769882
• Molecular Formula: C110H93N15O12
• Molecular Weight: 1817.05 g/mol
• Exact Mass: 1815.71
• IUPAC Name: 9-(4-acridin-9-yl-1-phenylpyrrol-2-yl)acridine;5-(2-aminopyrimidin-4-yl)-1-ethyl-2-phenylpyrrole-3-carboxylic acid;carbon dioxide;ethyl 5-(2-aminopyrimidin-4-yl)-1-ethyl-2-phenylpyrrole-3-carboxylate;1-methyl-2-phenyl-5-pyridin-3-ylpyrrole-3-carboxylic acid;1-[4-pyridin-3-yl-2-(3,4,5-trimethoxyphenyl)pyrrol-1-yl]ethanone
• SMILES: CCOC(=O)c1cc(-c2ccnc(N)n2)n(CC)c1-c1ccccc1.CCn1c(-c2ccnc(N)n2)cc(C(=O)O)c1-c1ccccc1.COc1cc(-c2cc(-c3cccnc3)cn2C(C)=O)cc(OC)c1OC.Cn1c(-c2cccnc2)cc(C(=O)O)c1-c1ccccc1.O=C=O.c1ccc(-n2cc(-c3c4ccccc4nc4ccccc34)cc2-c2c3ccccc3nc3ccccc23)cc1
• InChI: InChI=1S/C36H23N3.C20H20N2O4.C19H20N4O2.C17H16N4O2.C17H14N2O2.CO2/c1-2-12-25(13-3-1)39-23-24(35-26-14-4-8-18-30(26)37-31-19-9-5-15-27(31)35)22-34(39)36-28-16-6-10-20-32(28)38-33-21-11-7-17-29(33)36;1-13(23)22-12-16(14-6-5-7-21-11-14)8-17(22)15-9-18(24-2)20(26-4)19(10-15)25-3;1-3-23-16(15-10-11-21-19(20)22-15)12-14(18(24)25-4-2)17(23)13-8-6-5-7-9-13;1-2-21-14(13-8-9-19-17(18)20-13)10-12(16(22)23)15(21)11-6-4-3-5-7-11;1-19-15(13-8-5-9-18-11-13)10-14(17(20)21)16(19)12-6-3-2-4-7-12;2-1-3/h1-23H;5-12H,1-4H3;5-12H,3-4H2,1-2H3,(H2,20,21,22);3-10H,2H2,1H3,(H,22,23)(H2,18,19,20);2-11H,1H3,(H,20,21)
• InChIKey: IPSPQUDKTQHQFJ-UHFFFAOYSA-N
• XLogP: 22.29
• TPSA: 359.61 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 25
• Rotatable Bonds: 20
• Heavy Atoms: 137
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1817.05
LogP ≤ 5	22.29
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 9-(4-acridin-9-yl-1-phenylpyrrol-2-yl)acridine;5-(2-aminopyrimidin-4-yl)-1-ethyl-2-phenylpyrrole-3-carboxylic acid;carbon dioxide;ethyl 5-(2-aminopyrimidin-4-yl)-1-ethyl-2-phenylpyrrole-3-carboxylate;1-methyl-2-phenyl-5-pyridin-3-ylpyrrole-3-carboxylic acid;1-[4-pyridin-3-yl-2-(3,4,5-trimethoxyphenyl)pyrrol-1-yl]ethanone?

The IUPAC name of 9-(4-acridin-9-yl-1-phenylpyrrol-2-yl)acridine;5-(2-aminopyrimidin-4-yl)-1-ethyl-2-phenylpyrrole-3-carboxylic acid;carbon dioxide;ethyl 5-(2-aminopyrimidin-4-yl)-1-ethyl-2-phenylpyrrole-3-carboxylate;1-methyl-2-phenyl-5-pyridin-3-ylpyrrole-3-carboxylic acid;1-[4-pyridin-3-yl-2-(3,4,5-trimethoxyphenyl)pyrrol-1-yl]ethanone (CID 158769882) is 9-(4-acridin-9-yl-1-phenylpyrrol-2-yl)acridine;5-(2-aminopyrimidin-4-yl)-1-ethyl-2-phenylpyrrole-3-carboxylic acid;carbon dioxide;ethyl 5-(2-aminopyrimidin-4-yl)-1-ethyl-2-phenylpyrrole-3-carboxylate;1-methyl-2-phenyl-5-pyridin-3-ylpyrrole-3-carboxylic acid;1-[4-pyridin-3-yl-2-(3,4,5-trimethoxyphenyl)pyrrol-1-yl]ethanone.

What is the SMILES notation for 9-(4-acridin-9-yl-1-phenylpyrrol-2-yl)acridine;5-(2-aminopyrimidin-4-yl)-1-ethyl-2-phenylpyrrole-3-carboxylic acid;carbon dioxide;ethyl 5-(2-aminopyrimidin-4-yl)-1-ethyl-2-phenylpyrrole-3-carboxylate;1-methyl-2-phenyl-5-pyridin-3-ylpyrrole-3-carboxylic acid;1-[4-pyridin-3-yl-2-(3,4,5-trimethoxyphenyl)pyrrol-1-yl]ethanone?

The canonical SMILES for 9-(4-acridin-9-yl-1-phenylpyrrol-2-yl)acridine;5-(2-aminopyrimidin-4-yl)-1-ethyl-2-phenylpyrrole-3-carboxylic acid;carbon dioxide;ethyl 5-(2-aminopyrimidin-4-yl)-1-ethyl-2-phenylpyrrole-3-carboxylate;1-methyl-2-phenyl-5-pyridin-3-ylpyrrole-3-carboxylic acid;1-[4-pyridin-3-yl-2-(3,4,5-trimethoxyphenyl)pyrrol-1-yl]ethanone is CCOC(=O)c1cc(-c2ccnc(N)n2)n(CC)c1-c1ccccc1.CCn1c(-c2ccnc(N)n2)cc(C(=O)O)c1-c1ccccc1.COc1cc(-c2cc(-c3cccnc3)cn2C(C)=O)cc(OC)c1OC.Cn1c(-c2cccnc2)cc(C(=O)O)c1-c1ccccc1.O=C=O.c1ccc(-n2cc(-c3c4ccccc4nc4ccccc34)cc2-c2c3ccccc3nc3ccccc23)cc1.

What is the InChIKey of 9-(4-acridin-9-yl-1-phenylpyrrol-2-yl)acridine;5-(2-aminopyrimidin-4-yl)-1-ethyl-2-phenylpyrrole-3-carboxylic acid;carbon dioxide;ethyl 5-(2-aminopyrimidin-4-yl)-1-ethyl-2-phenylpyrrole-3-carboxylate;1-methyl-2-phenyl-5-pyridin-3-ylpyrrole-3-carboxylic acid;1-[4-pyridin-3-yl-2-(3,4,5-trimethoxyphenyl)pyrrol-1-yl]ethanone?

The InChIKey is IPSPQUDKTQHQFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H23N3.C20H20N2O4.C19H20N4O2.C17H16N4O2.C17H14N2O2.CO2/c1-2-12-25(13-3-1)39-23-24(35-26-14-4-8-18-30(26)37-31-19-9-5-15-27(31)35)22-34(39)36-28-16-6-10-20-32(28)38-33-21-11-7-17-29(33)36;1-13(23)22-12-16(14-6-5-7-21-11-14)8-17(22)15-9-18(24-2)20(26-4)19(10-15)25-3;1-3-23-16(15-10-11-21-19(20)22-15)12-14(18(24)25-4-2)17(23)13-8-6-5-7-9-13;1-2-21-14(13-8-9-19-17(18)20-13)10-12(16(22)23)15(21)11-6-4-3-5-7-11;1-19-15(13-8-5-9-18-11-13)10-14(17(20)21)16(19)12-6-3-2-4-7-12;2-1-3/h1-23H;5-12H,1-4H3;5-12H,3-4H2,1-2H3,(H2,20,21,22);3-10H,2H2,1H3,(H,22,23)(H2,18,19,20);2-11H,1H3,(H,20,21);.

What are the key properties of 9-(4-acridin-9-yl-1-phenylpyrrol-2-yl)acridine;5-(2-aminopyrimidin-4-yl)-1-ethyl-2-phenylpyrrole-3-carboxylic acid;carbon dioxide;ethyl 5-(2-aminopyrimidin-4-yl)-1-ethyl-2-phenylpyrrole-3-carboxylate;1-methyl-2-phenyl-5-pyridin-3-ylpyrrole-3-carboxylic acid;1-[4-pyridin-3-yl-2-(3,4,5-trimethoxyphenyl)pyrrol-1-yl]ethanone?

9-(4-acridin-9-yl-1-phenylpyrrol-2-yl)acridine;5-(2-aminopyrimidin-4-yl)-1-ethyl-2-phenylpyrrole-3-carboxylic acid;carbon dioxide;ethyl 5-(2-aminopyrimidin-4-yl)-1-ethyl-2-phenylpyrrole-3-carboxylate;1-methyl-2-phenyl-5-pyridin-3-ylpyrrole-3-carboxylic acid;1-[4-pyridin-3-yl-2-(3,4,5-trimethoxyphenyl)pyrrol-1-yl]ethanone has a molecular weight of 1817.05 g/mol, XLogP of 22.29, 20 rotatable bonds, 4 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(4-acridin-9-yl-1-phenylpyrrol-2-yl)acridine;5-(2-aminopyrimidin-4-yl)-1-ethyl-2-phenylpyrrole-3-carboxylic acid;carbon dioxide;ethyl 5-(2-aminopyrimidin-4-yl)-1-ethyl-2-phenylpyrrole-3-carboxylate;1-methyl-2-phenyl-5-pyridin-3-ylpyrrole-3-carboxylic acid;1-[4-pyridin-3-yl-2-(3,4,5-trimethoxyphenyl)pyrrol-1-yl]ethanone is sourced from PubChem (CID 158769882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).