3-(2-fluorophenyl)-5-(2-phenoxyphenyl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;3-(3-fluorophenyl)-5-(2-phenoxyphenyl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;3-(4-fluorophenyl)-5-(2-phenoxyphenyl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;4-[3-(3-fluorophenyl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;4-(3-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)morpholine;5-(2-phenoxyphenyl)-3-phenyl-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine

C162H119F4IN14O15S5 — CID 157227431

About 3-(2-fluorophenyl)-5-(2-phenoxyphenyl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;3-(3-fluorophenyl)-5-(2-phenoxyphenyl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;3-(4-fluorophenyl)-5-(2-phenoxyphenyl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;4-[3-(3-fluorophenyl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;4-(3-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)morpholine;5-(2-phenoxyphenyl)-3-phenyl-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine

3-(2-fluorophenyl)-5-(2-phenoxyphenyl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;3-(3-fluorophenyl)-5-(2-phenoxyphenyl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;3-(4-fluorophenyl)-5-(2-phenoxyphenyl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;4-[3-(3-fluorophenyl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;4-(3-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)morpholine;5-(2-phenoxyphenyl)-3-phenyl-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine (PubChem CID 157227431) has the molecular formula C162H119F4IN14O15S5 and a molecular weight of 2865.05 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-5-(2-phenoxyphenyl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;3-(3-fluorophenyl)-5-(2-phenoxyphenyl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;3-(4-fluorophenyl)-5-(2-phenoxyphenyl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;4-[3-(3-fluorophenyl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;4-(3-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)morpholine;5-(2-phenoxyphenyl)-3-phenyl-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine.

Molecular Properties

• Compound Name: 3-(2-fluorophenyl)-5-(2-phenoxyphenyl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;3-(3-fluorophenyl)-5-(2-phenoxyphenyl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;3-(4-fluorophenyl)-5-(2-phenoxyphenyl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;4-[3-(3-fluorophenyl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;4-(3-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)morpholine;5-(2-phenoxyphenyl)-3-phenyl-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine
• PubChem CID: 157227431
• Molecular Formula: C162H119F4IN14O15S5
• Molecular Weight: 2865.05 g/mol
• Exact Mass: 2862.66
• IUPAC Name: 3-(2-fluorophenyl)-5-(2-phenoxyphenyl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;3-(3-fluorophenyl)-5-(2-phenoxyphenyl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;3-(4-fluorophenyl)-5-(2-phenoxyphenyl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;4-[3-(3-fluorophenyl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;4-(3-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)morpholine;5-(2-phenoxyphenyl)-3-phenyl-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine
• SMILES: CN(C)c1ccc(-c2cnc3c(c2)c(-c2cccc(F)c2)cn3OOSc2ccccc2)cc1.Fc1ccc(-c2cn(OOSc3ccccc3)c3ncc(-c4ccccc4Oc4ccccc4)cc23)cc1.Fc1cccc(-c2cn(OOSc3ccccc3)c3ncc(-c4ccccc4Oc4ccccc4)cc23)c1.Fc1ccccc1-c1cn(OOSc2ccccc2)c2ncc(-c3ccccc3Oc3ccccc3)cc12.Ic1c[nH]c2ncc(N3CCOCC3)cc12.c1ccc(Oc2ccccc2-c2cnc3c(c2)c(-c2ccccc2)cn3OOSc2ccccc2)cc1
• InChI: InChI=1S/3C31H21FN2O3S.C31H22N2O3S.C27H22FN3O2S.C11H12IN3O/c32-29-17-9-7-16-26(29)28-21-34(36-37-38-24-13-5-2-6-14-24)31-27(28)19-22(20-33-31)25-15-8-10-18-30(25)35-23-11-3-1-4-12-23;32-24-11-9-10-22(18-24)29-21-34(36-37-38-26-14-5-2-6-15-26)31-28(29)19-23(20-33-31)27-16-7-8-17-30(27)35-25-12-3-1-4-13-25;32-24-17-15-22(16-18-24)29-21-34(36-37-38-26-11-5-2-6-12-26)31-28(29)19-23(20-33-31)27-13-7-8-14-30(27)35-25-9-3-1-4-10-25;1-4-12-23(13-5-1)29-22-33(35-36-37-26-16-8-3-9-17-26)31-28(29)20-24(21-32-31)27-18-10-11-19-30(27)34-25-14-6-2-7-15-25;1-30(2)23-13-11-19(12-14-23)21-16-25-26(20-7-6-8-22(28)15-20)18-31(27(25)29-17-21)32-33-34-24-9-4-3-5-10-24;12-10-7-14-11-9(10)5-8(6-13-11)15-1-3-16-4-2-15/h3*1-21H;1-22H;3-18H,1-2H3;5-7H,1-4H2,(H,13,14)
• InChIKey: ATRXDSBNVZLCDP-UHFFFAOYSA-N
• XLogP: 41.98
• TPSA: 262.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 33
• Rotatable Bonds: 40
• Heavy Atoms: 201
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2865.05
LogP ≤ 5	41.98
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'iodine', 'substructure': 'N/A'}, {'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-(2-fluorophenyl)-5-(2-phenoxyphenyl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;3-(3-fluorophenyl)-5-(2-phenoxyphenyl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;3-(4-fluorophenyl)-5-(2-phenoxyphenyl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;4-[3-(3-fluorophenyl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;4-(3-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)morpholine;5-(2-phenoxyphenyl)-3-phenyl-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine?

The IUPAC name of 3-(2-fluorophenyl)-5-(2-phenoxyphenyl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;3-(3-fluorophenyl)-5-(2-phenoxyphenyl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;3-(4-fluorophenyl)-5-(2-phenoxyphenyl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;4-[3-(3-fluorophenyl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;4-(3-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)morpholine;5-(2-phenoxyphenyl)-3-phenyl-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine (CID 157227431) is 3-(2-fluorophenyl)-5-(2-phenoxyphenyl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;3-(3-fluorophenyl)-5-(2-phenoxyphenyl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;3-(4-fluorophenyl)-5-(2-phenoxyphenyl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;4-[3-(3-fluorophenyl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;4-(3-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)morpholine;5-(2-phenoxyphenyl)-3-phenyl-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine.

What is the SMILES notation for 3-(2-fluorophenyl)-5-(2-phenoxyphenyl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;3-(3-fluorophenyl)-5-(2-phenoxyphenyl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;3-(4-fluorophenyl)-5-(2-phenoxyphenyl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;4-[3-(3-fluorophenyl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;4-(3-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)morpholine;5-(2-phenoxyphenyl)-3-phenyl-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine?

The canonical SMILES for 3-(2-fluorophenyl)-5-(2-phenoxyphenyl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;3-(3-fluorophenyl)-5-(2-phenoxyphenyl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;3-(4-fluorophenyl)-5-(2-phenoxyphenyl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;4-[3-(3-fluorophenyl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;4-(3-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)morpholine;5-(2-phenoxyphenyl)-3-phenyl-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine is CN(C)c1ccc(-c2cnc3c(c2)c(-c2cccc(F)c2)cn3OOSc2ccccc2)cc1.Fc1ccc(-c2cn(OOSc3ccccc3)c3ncc(-c4ccccc4Oc4ccccc4)cc23)cc1.Fc1cccc(-c2cn(OOSc3ccccc3)c3ncc(-c4ccccc4Oc4ccccc4)cc23)c1.Fc1ccccc1-c1cn(OOSc2ccccc2)c2ncc(-c3ccccc3Oc3ccccc3)cc12.Ic1c[nH]c2ncc(N3CCOCC3)cc12.c1ccc(Oc2ccccc2-c2cnc3c(c2)c(-c2ccccc2)cn3OOSc2ccccc2)cc1.

What is the InChIKey of 3-(2-fluorophenyl)-5-(2-phenoxyphenyl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;3-(3-fluorophenyl)-5-(2-phenoxyphenyl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;3-(4-fluorophenyl)-5-(2-phenoxyphenyl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;4-[3-(3-fluorophenyl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;4-(3-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)morpholine;5-(2-phenoxyphenyl)-3-phenyl-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine?

The InChIKey is ATRXDSBNVZLCDP-UHFFFAOYSA-N. The full InChI is InChI=1S/3C31H21FN2O3S.C31H22N2O3S.C27H22FN3O2S.C11H12IN3O/c32-29-17-9-7-16-26(29)28-21-34(36-37-38-24-13-5-2-6-14-24)31-27(28)19-22(20-33-31)25-15-8-10-18-30(25)35-23-11-3-1-4-12-23;32-24-11-9-10-22(18-24)29-21-34(36-37-38-26-14-5-2-6-15-26)31-28(29)19-23(20-33-31)27-16-7-8-17-30(27)35-25-12-3-1-4-13-25;32-24-17-15-22(16-18-24)29-21-34(36-37-38-26-11-5-2-6-12-26)31-28(29)19-23(20-33-31)27-13-7-8-14-30(27)35-25-9-3-1-4-10-25;1-4-12-23(13-5-1)29-22-33(35-36-37-26-16-8-3-9-17-26)31-28(29)20-24(21-32-31)27-18-10-11-19-30(27)34-25-14-6-2-7-15-25;1-30(2)23-13-11-19(12-14-23)21-16-25-26(20-7-6-8-22(28)15-20)18-31(27(25)29-17-21)32-33-34-24-9-4-3-5-10-24;12-10-7-14-11-9(10)5-8(6-13-11)15-1-3-16-4-2-15/h3*1-21H;1-22H;3-18H,1-2H3;5-7H,1-4H2,(H,13,14).

What are the key properties of 3-(2-fluorophenyl)-5-(2-phenoxyphenyl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;3-(3-fluorophenyl)-5-(2-phenoxyphenyl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;3-(4-fluorophenyl)-5-(2-phenoxyphenyl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;4-[3-(3-fluorophenyl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;4-(3-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)morpholine;5-(2-phenoxyphenyl)-3-phenyl-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine?

3-(2-fluorophenyl)-5-(2-phenoxyphenyl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;3-(3-fluorophenyl)-5-(2-phenoxyphenyl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;3-(4-fluorophenyl)-5-(2-phenoxyphenyl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;4-[3-(3-fluorophenyl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;4-(3-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)morpholine;5-(2-phenoxyphenyl)-3-phenyl-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine has a molecular weight of 2865.05 g/mol, XLogP of 41.98, 40 rotatable bonds, 1 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2-fluorophenyl)-5-(2-phenoxyphenyl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;3-(3-fluorophenyl)-5-(2-phenoxyphenyl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;3-(4-fluorophenyl)-5-(2-phenoxyphenyl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;4-[3-(3-fluorophenyl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;4-(3-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)morpholine;5-(2-phenoxyphenyl)-3-phenyl-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine is sourced from PubChem (CID 157227431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).