3-dibenzofuran-4-yl-5-phenyl-1H-pyrrolo[2,3-b]pyridine;3-(2-methoxyphenyl)-5-phenyl-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;3-(3-methoxyphenyl)-5-phenyl-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;3-(4-methoxyphenyl)-5-phenyl-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;3-[2-(phenoxymethyl)phenyl]-5-phenyl-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;3-(4-phenoxyphenyl)-5-phenyl-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine

C166H122N12O16S5 — CID 157318931

About 3-dibenzofuran-4-yl-5-phenyl-1H-pyrrolo[2,3-b]pyridine;3-(2-methoxyphenyl)-5-phenyl-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;3-(3-methoxyphenyl)-5-phenyl-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;3-(4-methoxyphenyl)-5-phenyl-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;3-[2-(phenoxymethyl)phenyl]-5-phenyl-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;3-(4-phenoxyphenyl)-5-phenyl-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine

3-dibenzofuran-4-yl-5-phenyl-1H-pyrrolo[2,3-b]pyridine;3-(2-methoxyphenyl)-5-phenyl-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;3-(3-methoxyphenyl)-5-phenyl-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;3-(4-methoxyphenyl)-5-phenyl-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;3-[2-(phenoxymethyl)phenyl]-5-phenyl-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;3-(4-phenoxyphenyl)-5-phenyl-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine (PubChem CID 157318931) has the molecular formula C166H122N12O16S5 and a molecular weight of 2701.20 g/mol. Its IUPAC name is 3-dibenzofuran-4-yl-5-phenyl-1H-pyrrolo[2,3-b]pyridine;3-(2-methoxyphenyl)-5-phenyl-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;3-(3-methoxyphenyl)-5-phenyl-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;3-(4-methoxyphenyl)-5-phenyl-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;3-[2-(phenoxymethyl)phenyl]-5-phenyl-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;3-(4-phenoxyphenyl)-5-phenyl-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine.

Molecular Properties

• Compound Name: 3-dibenzofuran-4-yl-5-phenyl-1H-pyrrolo[2,3-b]pyridine;3-(2-methoxyphenyl)-5-phenyl-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;3-(3-methoxyphenyl)-5-phenyl-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;3-(4-methoxyphenyl)-5-phenyl-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;3-[2-(phenoxymethyl)phenyl]-5-phenyl-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;3-(4-phenoxyphenyl)-5-phenyl-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine
• PubChem CID: 157318931
• Molecular Formula: C166H122N12O16S5
• Molecular Weight: 2701.20 g/mol
• Exact Mass: 2698.77
• IUPAC Name: 3-dibenzofuran-4-yl-5-phenyl-1H-pyrrolo[2,3-b]pyridine;3-(2-methoxyphenyl)-5-phenyl-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;3-(3-methoxyphenyl)-5-phenyl-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;3-(4-methoxyphenyl)-5-phenyl-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;3-[2-(phenoxymethyl)phenyl]-5-phenyl-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;3-(4-phenoxyphenyl)-5-phenyl-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine
• SMILES: COc1ccc(-c2cn(OOSc3ccccc3)c3ncc(-c4ccccc4)cc23)cc1.COc1cccc(-c2cn(OOSc3ccccc3)c3ncc(-c4ccccc4)cc23)c1.COc1ccccc1-c1cn(OOSc2ccccc2)c2ncc(-c3ccccc3)cc12.c1ccc(-c2cnc3[nH]cc(-c4cccc5c4oc4ccccc45)c3c2)cc1.c1ccc(OCc2ccccc2-c2cn(OOSc3ccccc3)c3ncc(-c4ccccc4)cc23)cc1.c1ccc(Oc2ccc(-c3cn(OOSc4ccccc4)c4ncc(-c5ccccc5)cc34)cc2)cc1
• InChI: InChI=1S/C32H24N2O3S.C31H22N2O3S.3C26H20N2O3S.C25H16N2O/c1-4-12-24(13-5-1)26-20-30-31(29-19-11-10-14-25(29)23-35-27-15-6-2-7-16-27)22-34(32(30)33-21-26)36-37-38-28-17-8-3-9-18-28;1-4-10-23(11-5-1)25-20-29-30(24-16-18-27(19-17-24)34-26-12-6-2-7-13-26)22-33(31(29)32-21-25)35-36-37-28-14-8-3-9-15-28;1-29-25-15-9-8-14-22(25)24-18-28(30-31-32-21-12-6-3-7-13-21)26-23(24)16-20(17-27-26)19-10-4-2-5-11-19;1-29-22-12-8-11-20(15-22)25-18-28(30-31-32-23-13-6-3-7-14-23)26-24(25)16-21(17-27-26)19-9-4-2-5-10-19;1-29-22-14-12-20(13-15-22)25-18-28(30-31-32-23-10-6-3-7-11-23)26-24(25)16-21(17-27-26)19-8-4-2-5-9-19;1-2-7-16(8-3-1)17-13-21-22(15-27-25(21)26-14-17)20-11-6-10-19-18-9-4-5-12-23(18)28-24(19)20/h1-22H,23H2;1-22H;3*2-18H,1H3;1-15H,(H,26,27)
• InChIKey: BDXZAIAXAJAYKI-UHFFFAOYSA-N
• XLogP: 42.38
• TPSA: 269.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 32
• Rotatable Bonds: 40
• Heavy Atoms: 199
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2701.20
LogP ≤ 5	42.38
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-dibenzofuran-4-yl-5-phenyl-1H-pyrrolo[2,3-b]pyridine;3-(2-methoxyphenyl)-5-phenyl-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;3-(3-methoxyphenyl)-5-phenyl-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;3-(4-methoxyphenyl)-5-phenyl-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;3-[2-(phenoxymethyl)phenyl]-5-phenyl-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;3-(4-phenoxyphenyl)-5-phenyl-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine?

The IUPAC name of 3-dibenzofuran-4-yl-5-phenyl-1H-pyrrolo[2,3-b]pyridine;3-(2-methoxyphenyl)-5-phenyl-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;3-(3-methoxyphenyl)-5-phenyl-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;3-(4-methoxyphenyl)-5-phenyl-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;3-[2-(phenoxymethyl)phenyl]-5-phenyl-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;3-(4-phenoxyphenyl)-5-phenyl-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine (CID 157318931) is 3-dibenzofuran-4-yl-5-phenyl-1H-pyrrolo[2,3-b]pyridine;3-(2-methoxyphenyl)-5-phenyl-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;3-(3-methoxyphenyl)-5-phenyl-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;3-(4-methoxyphenyl)-5-phenyl-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;3-[2-(phenoxymethyl)phenyl]-5-phenyl-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;3-(4-phenoxyphenyl)-5-phenyl-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine.

What is the SMILES notation for 3-dibenzofuran-4-yl-5-phenyl-1H-pyrrolo[2,3-b]pyridine;3-(2-methoxyphenyl)-5-phenyl-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;3-(3-methoxyphenyl)-5-phenyl-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;3-(4-methoxyphenyl)-5-phenyl-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;3-[2-(phenoxymethyl)phenyl]-5-phenyl-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;3-(4-phenoxyphenyl)-5-phenyl-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine?

The canonical SMILES for 3-dibenzofuran-4-yl-5-phenyl-1H-pyrrolo[2,3-b]pyridine;3-(2-methoxyphenyl)-5-phenyl-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;3-(3-methoxyphenyl)-5-phenyl-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;3-(4-methoxyphenyl)-5-phenyl-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;3-[2-(phenoxymethyl)phenyl]-5-phenyl-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;3-(4-phenoxyphenyl)-5-phenyl-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine is COc1ccc(-c2cn(OOSc3ccccc3)c3ncc(-c4ccccc4)cc23)cc1.COc1cccc(-c2cn(OOSc3ccccc3)c3ncc(-c4ccccc4)cc23)c1.COc1ccccc1-c1cn(OOSc2ccccc2)c2ncc(-c3ccccc3)cc12.c1ccc(-c2cnc3[nH]cc(-c4cccc5c4oc4ccccc45)c3c2)cc1.c1ccc(OCc2ccccc2-c2cn(OOSc3ccccc3)c3ncc(-c4ccccc4)cc23)cc1.c1ccc(Oc2ccc(-c3cn(OOSc4ccccc4)c4ncc(-c5ccccc5)cc34)cc2)cc1.

What is the InChIKey of 3-dibenzofuran-4-yl-5-phenyl-1H-pyrrolo[2,3-b]pyridine;3-(2-methoxyphenyl)-5-phenyl-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;3-(3-methoxyphenyl)-5-phenyl-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;3-(4-methoxyphenyl)-5-phenyl-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;3-[2-(phenoxymethyl)phenyl]-5-phenyl-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;3-(4-phenoxyphenyl)-5-phenyl-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine?

The InChIKey is BDXZAIAXAJAYKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H24N2O3S.C31H22N2O3S.3C26H20N2O3S.C25H16N2O/c1-4-12-24(13-5-1)26-20-30-31(29-19-11-10-14-25(29)23-35-27-15-6-2-7-16-27)22-34(32(30)33-21-26)36-37-38-28-17-8-3-9-18-28;1-4-10-23(11-5-1)25-20-29-30(24-16-18-27(19-17-24)34-26-12-6-2-7-13-26)22-33(31(29)32-21-25)35-36-37-28-14-8-3-9-15-28;1-29-25-15-9-8-14-22(25)24-18-28(30-31-32-21-12-6-3-7-13-21)26-23(24)16-20(17-27-26)19-10-4-2-5-11-19;1-29-22-12-8-11-20(15-22)25-18-28(30-31-32-23-13-6-3-7-14-23)26-24(25)16-21(17-27-26)19-9-4-2-5-10-19;1-29-22-14-12-20(13-15-22)25-18-28(30-31-32-23-10-6-3-7-11-23)26-24(25)16-21(17-27-26)19-8-4-2-5-9-19;1-2-7-16(8-3-1)17-13-21-22(15-27-25(21)26-14-17)20-11-6-10-19-18-9-4-5-12-23(18)28-24(19)20/h1-22H,23H2;1-22H;3*2-18H,1H3;1-15H,(H,26,27).

What are the key properties of 3-dibenzofuran-4-yl-5-phenyl-1H-pyrrolo[2,3-b]pyridine;3-(2-methoxyphenyl)-5-phenyl-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;3-(3-methoxyphenyl)-5-phenyl-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;3-(4-methoxyphenyl)-5-phenyl-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;3-[2-(phenoxymethyl)phenyl]-5-phenyl-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;3-(4-phenoxyphenyl)-5-phenyl-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine?

3-dibenzofuran-4-yl-5-phenyl-1H-pyrrolo[2,3-b]pyridine;3-(2-methoxyphenyl)-5-phenyl-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;3-(3-methoxyphenyl)-5-phenyl-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;3-(4-methoxyphenyl)-5-phenyl-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;3-[2-(phenoxymethyl)phenyl]-5-phenyl-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;3-(4-phenoxyphenyl)-5-phenyl-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine has a molecular weight of 2701.20 g/mol, XLogP of 42.38, 40 rotatable bonds, 1 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 3-dibenzofuran-4-yl-5-phenyl-1H-pyrrolo[2,3-b]pyridine;3-(2-methoxyphenyl)-5-phenyl-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;3-(3-methoxyphenyl)-5-phenyl-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;3-(4-methoxyphenyl)-5-phenyl-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;3-[2-(phenoxymethyl)phenyl]-5-phenyl-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;3-(4-phenoxyphenyl)-5-phenyl-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine is sourced from PubChem (CID 157318931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).