3-[4,5-bis(3-methoxyphenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole;2-(1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(1H-indol-3-yl)-1H-imidazo[4,5-f][4,7]phenanthroline;methyl 3-(4,5-diphenyl-1H-imidazol-2-yl)-1H-indole-6-carboxylate

C92H65BrN16O4 — CID 158660975

About 3-[4,5-bis(3-methoxyphenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole;2-(1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(1H-indol-3-yl)-1H-imidazo[4,5-f][4,7]phenanthroline;methyl 3-(4,5-diphenyl-1H-imidazol-2-yl)-1H-indole-6-carboxylate

3-[4,5-bis(3-methoxyphenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole;2-(1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(1H-indol-3-yl)-1H-imidazo[4,5-f][4,7]phenanthroline;methyl 3-(4,5-diphenyl-1H-imidazol-2-yl)-1H-indole-6-carboxylate (PubChem CID 158660975) has the molecular formula C92H65BrN16O4 and a molecular weight of 1538.54 g/mol. Its IUPAC name is 3-[4,5-bis(3-methoxyphenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole;2-(1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(1H-indol-3-yl)-1H-imidazo[4,5-f][4,7]phenanthroline;methyl 3-(4,5-diphenyl-1H-imidazol-2-yl)-1H-indole-6-carboxylate.

Molecular Properties

• Compound Name: 3-[4,5-bis(3-methoxyphenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole;2-(1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(1H-indol-3-yl)-1H-imidazo[4,5-f][4,7]phenanthroline;methyl 3-(4,5-diphenyl-1H-imidazol-2-yl)-1H-indole-6-carboxylate
• PubChem CID: 158660975
• Molecular Formula: C92H65BrN16O4
• Molecular Weight: 1538.54 g/mol
• Exact Mass: 1536.46
• IUPAC Name: 3-[4,5-bis(3-methoxyphenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole;2-(1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(1H-indol-3-yl)-1H-imidazo[4,5-f][4,7]phenanthroline;methyl 3-(4,5-diphenyl-1H-imidazol-2-yl)-1H-indole-6-carboxylate
• SMILES: COC(=O)c1ccc2c(-c3nc(-c4ccccc4)c(-c4ccccc4)[nH]3)c[nH]c2c1.COc1cccc(-c2nc(-c3c[nH]c4ccc(Br)cc34)[nH]c2-c2cccc(OC)c2)c1.c1ccc2c(-c3nc4c5cccnc5c5ncccc5c4[nH]3)c[nH]c2c1.c1ccc2c(-c3nc4c5ncccc5c5cccnc5c4[nH]3)c[nH]c2c1
• InChI: InChI=1S/C25H20BrN3O2.C25H19N3O2.2C21H13N5/c1-30-18-7-3-5-15(11-18)23-24(16-6-4-8-19(12-16)31-2)29-25(28-23)21-14-27-22-10-9-17(26)13-20(21)22;1-30-25(29)18-12-13-19-20(15-26-21(19)14-18)24-27-22(16-8-4-2-5-9-16)23(28-24)17-10-6-3-7-11-17;1-2-8-16-12(5-1)15(11-24-16)21-25-19-13-6-3-9-22-17(13)18-14(20(19)26-21)7-4-10-23-18;1-2-8-16-12(5-1)15(11-24-16)21-25-19-17-13(6-3-9-22-17)14-7-4-10-23-18(14)20(19)26-21/h3-14,27H,1-2H3,(H,28,29);2-15,26H,1H3,(H,27,28);2*1-11,24H,(H,25,26)
• InChIKey: ICTHAOOSHLECAD-UHFFFAOYSA-N
• XLogP: 21.97
• TPSA: 274.20 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 12
• Rotatable Bonds: 11
• Heavy Atoms: 113
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1538.54
LogP ≤ 5	21.97
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imidazole_A(19)', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[4,5-bis(3-methoxyphenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole;2-(1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(1H-indol-3-yl)-1H-imidazo[4,5-f][4,7]phenanthroline;methyl 3-(4,5-diphenyl-1H-imidazol-2-yl)-1H-indole-6-carboxylate?

The IUPAC name of 3-[4,5-bis(3-methoxyphenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole;2-(1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(1H-indol-3-yl)-1H-imidazo[4,5-f][4,7]phenanthroline;methyl 3-(4,5-diphenyl-1H-imidazol-2-yl)-1H-indole-6-carboxylate (CID 158660975) is 3-[4,5-bis(3-methoxyphenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole;2-(1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(1H-indol-3-yl)-1H-imidazo[4,5-f][4,7]phenanthroline;methyl 3-(4,5-diphenyl-1H-imidazol-2-yl)-1H-indole-6-carboxylate.

What is the SMILES notation for 3-[4,5-bis(3-methoxyphenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole;2-(1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(1H-indol-3-yl)-1H-imidazo[4,5-f][4,7]phenanthroline;methyl 3-(4,5-diphenyl-1H-imidazol-2-yl)-1H-indole-6-carboxylate?

The canonical SMILES for 3-[4,5-bis(3-methoxyphenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole;2-(1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(1H-indol-3-yl)-1H-imidazo[4,5-f][4,7]phenanthroline;methyl 3-(4,5-diphenyl-1H-imidazol-2-yl)-1H-indole-6-carboxylate is COC(=O)c1ccc2c(-c3nc(-c4ccccc4)c(-c4ccccc4)[nH]3)c[nH]c2c1.COc1cccc(-c2nc(-c3c[nH]c4ccc(Br)cc34)[nH]c2-c2cccc(OC)c2)c1.c1ccc2c(-c3nc4c5cccnc5c5ncccc5c4[nH]3)c[nH]c2c1.c1ccc2c(-c3nc4c5ncccc5c5cccnc5c4[nH]3)c[nH]c2c1.

What is the InChIKey of 3-[4,5-bis(3-methoxyphenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole;2-(1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(1H-indol-3-yl)-1H-imidazo[4,5-f][4,7]phenanthroline;methyl 3-(4,5-diphenyl-1H-imidazol-2-yl)-1H-indole-6-carboxylate?

The InChIKey is ICTHAOOSHLECAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20BrN3O2.C25H19N3O2.2C21H13N5/c1-30-18-7-3-5-15(11-18)23-24(16-6-4-8-19(12-16)31-2)29-25(28-23)21-14-27-22-10-9-17(26)13-20(21)22;1-30-25(29)18-12-13-19-20(15-26-21(19)14-18)24-27-22(16-8-4-2-5-9-16)23(28-24)17-10-6-3-7-11-17;1-2-8-16-12(5-1)15(11-24-16)21-25-19-13-6-3-9-22-17(13)18-14(20(19)26-21)7-4-10-23-18;1-2-8-16-12(5-1)15(11-24-16)21-25-19-17-13(6-3-9-22-17)14-7-4-10-23-18(14)20(19)26-21/h3-14,27H,1-2H3,(H,28,29);2-15,26H,1H3,(H,27,28);2*1-11,24H,(H,25,26).

What are the key properties of 3-[4,5-bis(3-methoxyphenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole;2-(1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(1H-indol-3-yl)-1H-imidazo[4,5-f][4,7]phenanthroline;methyl 3-(4,5-diphenyl-1H-imidazol-2-yl)-1H-indole-6-carboxylate?

3-[4,5-bis(3-methoxyphenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole;2-(1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(1H-indol-3-yl)-1H-imidazo[4,5-f][4,7]phenanthroline;methyl 3-(4,5-diphenyl-1H-imidazol-2-yl)-1H-indole-6-carboxylate has a molecular weight of 1538.54 g/mol, XLogP of 21.97, 11 rotatable bonds, 8 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4,5-bis(3-methoxyphenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole;2-(1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(1H-indol-3-yl)-1H-imidazo[4,5-f][4,7]phenanthroline;methyl 3-(4,5-diphenyl-1H-imidazol-2-yl)-1H-indole-6-carboxylate is sourced from PubChem (CID 158660975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).