5-(2-fluorophenyl)-3-(2-phenoxyphenyl)-7-phenylsulfanylperoxy-7H-cyclopenta[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;5-(3-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)-N,N-dimethylpyridin-2-amine;4-(3-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)morpholine;3-(2-methoxyphenyl)-5-(2-phenoxyphenyl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;3-(3-methoxyphenyl)-5-(2-phenoxyphenyl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;5-(2-phenoxyphenyl)-3-phenyl-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine

C241H181F4I2N21O23S7 — CID 157116944

IUPAC5-(2-fluorophenyl)-3-(2-phenoxyphenyl)-7-phenylsulfanylperoxy-7H-cyclopenta[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;5-(3-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)-N,N-dimethylpyridin-2-amine;4-(3-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)morpholine;3-(2-methoxyphenyl)-5-(2-phenoxyphenyl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;3-(3-methoxyphenyl)-5-(2-phenoxyphenyl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;5-(2-phenoxyphenyl)-3-phenyl-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine
SMILESCN(C)c1ccc(-c2cnc3[nH]cc(I)c3c2)cn1.CN(C)c1ccc(-c2cnc3c(c2)c(-c2cccc(F)c2)cn3OOSc2ccccc2)cc1.COc1cccc(-c2cn(OOSc3ccccc3)c3ncc(-c4ccccc4Oc4ccccc4)cc23)c1.COc1ccccc1-c1cn(OOSc2ccccc2)c2ncc(-c3ccccc3Oc3ccccc3)cc12.Fc1ccc(-c2cn(OOSc3ccccc3)c3ncc(-c4ccccc4Oc4ccccc4)cc23)cc1.Fc1cccc(-c2cn(OOSc3ccccc3)c3ncc(-c4ccccc4Oc4ccccc4)cc23)c1.Fc1ccccc1C1=CC(OOSc2ccccc2)c2ncc(-c3ccccc3Oc3ccccc3)cc21.Ic1c[nH]c2ncc(N3CCOCC3)cc12.c1ccc(Oc2ccccc2-c2cnc3c(c2)c(-c2ccccc2)cn3OOSc2ccccc2)cc1
InChIInChI=1S/C32H22FNO3S.2C32H24N2O4S.2C31H21FN2O3S.C31H22N2O3S.C27H22FN3O2S.C14H13IN4.C11H12IN3O/c33-29-17-9-7-16-26(29)27-20-31(36-37-38-24-13-5-2-6-14-24)32-28(27)19-22(21-34-32)25-15-8-10-18-30(25)35-23-11-3-1-4-12-23;1-35-30-18-10-9-17-27(30)29-22-34(37-38-39-25-14-6-3-7-15-25)32-28(29)20-23(21-33-32)26-16-8-11-19-31(26)36-24-12-4-2-5-13-24;1-35-26-14-10-11-23(19-26)30-22-34(37-38-39-27-15-6-3-7-16-27)32-29(30)20-24(21-33-32)28-17-8-9-18-31(28)36-25-12-4-2-5-13-25;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;1-19(2)13-4-3-9(6-16-13)10-5-11-12(15)8-18-14(11)17-7-10;12-10-7-14-11-9(10)5-8(6-13-11)15-1-3-16-4-2-15/h1-21,31H;2*2-22H,1H3;2*1-21H;1-22H;3-18H,1-2H3;3-8H,1-2H3,(H,17,18);5-7H,1-4H2,(H,13,14)
InChIKeyAHNCCVMAWANUHZ-UHFFFAOYSA-N
MW4293.49 g/mol
LogP62.21
Rot. Bonds60

About 5-(2-fluorophenyl)-3-(2-phenoxyphenyl)-7-phenylsulfanylperoxy-7H-cyclopenta[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;5-(3-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)-N,N-dimethylpyridin-2-amine;4-(3-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)morpholine;3-(2-methoxyphenyl)-5-(2-phenoxyphenyl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;3-(3-methoxyphenyl)-5-(2-phenoxyphenyl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;5-(2-phenoxyphenyl)-3-phenyl-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine

5-(2-fluorophenyl)-3-(2-phenoxyphenyl)-7-phenylsulfanylperoxy-7H-cyclopenta[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;5-(3-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)-N,N-dimethylpyridin-2-amine;4-(3-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)morpholine;3-(2-methoxyphenyl)-5-(2-phenoxyphenyl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;3-(3-methoxyphenyl)-5-(2-phenoxyphenyl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;5-(2-phenoxyphenyl)-3-phenyl-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine (PubChem CID 157116944) has the molecular formula C241H181F4I2N21O23S7 and a molecular weight of 4293.49 g/mol. Its IUPAC name is 5-(2-fluorophenyl)-3-(2-phenoxyphenyl)-7-phenylsulfanylperoxy-7H-cyclopenta[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;5-(3-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)-N,N-dimethylpyridin-2-amine;4-(3-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)morpholine;3-(2-methoxyphenyl)-5-(2-phenoxyphenyl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;3-(3-methoxyphenyl)-5-(2-phenoxyphenyl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;5-(2-phenoxyphenyl)-3-phenyl-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name5-(2-fluorophenyl)-3-(2-phenoxyphenyl)-7-phenylsulfanylperoxy-7H-cyclopenta[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;5-(3-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)-N,N-dimethylpyridin-2-amine;4-(3-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)morpholine;3-(2-methoxyphenyl)-5-(2-phenoxyphenyl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;3-(3-methoxyphenyl)-5-(2-phenoxyphenyl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;5-(2-phenoxyphenyl)-3-phenyl-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine
PubChem CID157116944
Molecular FormulaC241H181F4I2N21O23S7
Molecular Weight4293.49 g/mol
Exact Mass4289.97
IUPAC Name5-(2-fluorophenyl)-3-(2-phenoxyphenyl)-7-phenylsulfanylperoxy-7H-cyclopenta[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;5-(3-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)-N,N-dimethylpyridin-2-amine;4-(3-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)morpholine;3-(2-methoxyphenyl)-5-(2-phenoxyphenyl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;3-(3-methoxyphenyl)-5-(2-phenoxyphenyl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;5-(2-phenoxyphenyl)-3-phenyl-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine
SMILESCN(C)c1ccc(-c2cnc3[nH]cc(I)c3c2)cn1.CN(C)c1ccc(-c2cnc3c(c2)c(-c2cccc(F)c2)cn3OOSc2ccccc2)cc1.COc1cccc(-c2cn(OOSc3ccccc3)c3ncc(-c4ccccc4Oc4ccccc4)cc23)c1.COc1ccccc1-c1cn(OOSc2ccccc2)c2ncc(-c3ccccc3Oc3ccccc3)cc12.Fc1ccc(-c2cn(OOSc3ccccc3)c3ncc(-c4ccccc4Oc4ccccc4)cc23)cc1.Fc1cccc(-c2cn(OOSc3ccccc3)c3ncc(-c4ccccc4Oc4ccccc4)cc23)c1.Fc1ccccc1C1=CC(OOSc2ccccc2)c2ncc(-c3ccccc3Oc3ccccc3)cc21.Ic1c[nH]c2ncc(N3CCOCC3)cc12.c1ccc(Oc2ccccc2-c2cnc3c(c2)c(-c2ccccc2)cn3OOSc2ccccc2)cc1
InChIInChI=1S/C32H22FNO3S.2C32H24N2O4S.2C31H21FN2O3S.C31H22N2O3S.C27H22FN3O2S.C14H13IN4.C11H12IN3O/c33-29-17-9-7-16-26(29)27-20-31(36-37-38-24-13-5-2-6-14-24)32-28(27)19-22(21-34-32)25-15-8-10-18-30(25)35-23-11-3-1-4-12-23;1-35-30-18-10-9-17-27(30)29-22-34(37-38-39-25-14-6-3-7-15-25)32-28(29)20-23(21-33-32)26-16-8-11-19-31(26)36-24-12-4-2-5-13-24;1-35-26-14-10-11-23(19-26)30-22-34(37-38-39-27-15-6-3-7-16-27)32-29(30)20-24(21-33-32)28-17-8-9-18-31(28)36-25-12-4-2-5-13-25;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;1-19(2)13-4-3-9(6-16-13)10-5-11-12(15)8-18-14(11)17-7-10;12-10-7-14-11-9(10)5-8(6-13-11)15-1-3-16-4-2-15/h1-21,31H;2*2-22H,1H3;2*1-21H;1-22H;3-18H,1-2H3;3-8H,1-2H3,(H,17,18);5-7H,1-4H2,(H,13,14)
InChIKeyAHNCCVMAWANUHZ-UHFFFAOYSA-N
XLogP62.21
TPSA412.07 Ų
H-Bond Donors2
H-Bond Acceptors49
Rotatable Bonds60
Heavy Atoms298
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004293.49
LogP ≤ 562.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1049

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'}

Analyze 5-(2-fluorophenyl)-3-(2-phenoxyphenyl)-7-phenylsulfanylperoxy-7H-cyclopenta[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;5-(3-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)-N,N-dimethylpyridin-2-amine;4-(3-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)morpholine;3-(2-methoxyphenyl)-5-(2-phenoxyphenyl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;3-(3-methoxyphenyl)-5-(2-phenoxyphenyl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;5-(2-phenoxyphenyl)-3-phenyl-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(2-fluorophenyl)-3-(2-phenoxyphenyl)-7-phenylsulfanylperoxy-7H-cyclopenta[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;5-(3-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)-N,N-dimethylpyridin-2-amine;4-(3-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)morpholine;3-(2-methoxyphenyl)-5-(2-phenoxyphenyl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;3-(3-methoxyphenyl)-5-(2-phenoxyphenyl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;5-(2-phenoxyphenyl)-3-phenyl-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine?
The IUPAC name of 5-(2-fluorophenyl)-3-(2-phenoxyphenyl)-7-phenylsulfanylperoxy-7H-cyclopenta[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;5-(3-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)-N,N-dimethylpyridin-2-amine;4-(3-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)morpholine;3-(2-methoxyphenyl)-5-(2-phenoxyphenyl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;3-(3-methoxyphenyl)-5-(2-phenoxyphenyl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;5-(2-phenoxyphenyl)-3-phenyl-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine (CID 157116944) is 5-(2-fluorophenyl)-3-(2-phenoxyphenyl)-7-phenylsulfanylperoxy-7H-cyclopenta[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;5-(3-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)-N,N-dimethylpyridin-2-amine;4-(3-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)morpholine;3-(2-methoxyphenyl)-5-(2-phenoxyphenyl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;3-(3-methoxyphenyl)-5-(2-phenoxyphenyl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;5-(2-phenoxyphenyl)-3-phenyl-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine.
What is the SMILES notation for 5-(2-fluorophenyl)-3-(2-phenoxyphenyl)-7-phenylsulfanylperoxy-7H-cyclopenta[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;5-(3-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)-N,N-dimethylpyridin-2-amine;4-(3-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)morpholine;3-(2-methoxyphenyl)-5-(2-phenoxyphenyl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;3-(3-methoxyphenyl)-5-(2-phenoxyphenyl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;5-(2-phenoxyphenyl)-3-phenyl-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine?
The canonical SMILES for 5-(2-fluorophenyl)-3-(2-phenoxyphenyl)-7-phenylsulfanylperoxy-7H-cyclopenta[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;5-(3-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)-N,N-dimethylpyridin-2-amine;4-(3-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)morpholine;3-(2-methoxyphenyl)-5-(2-phenoxyphenyl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;3-(3-methoxyphenyl)-5-(2-phenoxyphenyl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;5-(2-phenoxyphenyl)-3-phenyl-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine is CN(C)c1ccc(-c2cnc3[nH]cc(I)c3c2)cn1.CN(C)c1ccc(-c2cnc3c(c2)c(-c2cccc(F)c2)cn3OOSc2ccccc2)cc1.COc1cccc(-c2cn(OOSc3ccccc3)c3ncc(-c4ccccc4Oc4ccccc4)cc23)c1.COc1ccccc1-c1cn(OOSc2ccccc2)c2ncc(-c3ccccc3Oc3ccccc3)cc12.Fc1ccc(-c2cn(OOSc3ccccc3)c3ncc(-c4ccccc4Oc4ccccc4)cc23)cc1.Fc1cccc(-c2cn(OOSc3ccccc3)c3ncc(-c4ccccc4Oc4ccccc4)cc23)c1.Fc1ccccc1C1=CC(OOSc2ccccc2)c2ncc(-c3ccccc3Oc3ccccc3)cc21.Ic1c[nH]c2ncc(N3CCOCC3)cc12.c1ccc(Oc2ccccc2-c2cnc3c(c2)c(-c2ccccc2)cn3OOSc2ccccc2)cc1.
What is the InChIKey of 5-(2-fluorophenyl)-3-(2-phenoxyphenyl)-7-phenylsulfanylperoxy-7H-cyclopenta[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;5-(3-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)-N,N-dimethylpyridin-2-amine;4-(3-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)morpholine;3-(2-methoxyphenyl)-5-(2-phenoxyphenyl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;3-(3-methoxyphenyl)-5-(2-phenoxyphenyl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;5-(2-phenoxyphenyl)-3-phenyl-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine?
The InChIKey is AHNCCVMAWANUHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H22FNO3S.2C32H24N2O4S.2C31H21FN2O3S.C31H22N2O3S.C27H22FN3O2S.C14H13IN4.C11H12IN3O/c33-29-17-9-7-16-26(29)27-20-31(36-37-38-24-13-5-2-6-14-24)32-28(27)19-22(21-34-32)25-15-8-10-18-30(25)35-23-11-3-1-4-12-23;1-35-30-18-10-9-17-27(30)29-22-34(37-38-39-25-14-6-3-7-15-25)32-28(29)20-23(21-33-32)26-16-8-11-19-31(26)36-24-12-4-2-5-13-24;1-35-26-14-10-11-23(19-26)30-22-34(37-38-39-27-15-6-3-7-16-27)32-29(30)20-24(21-33-32)28-17-8-9-18-31(28)36-25-12-4-2-5-13-25;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;1-19(2)13-4-3-9(6-16-13)10-5-11-12(15)8-18-14(11)17-7-10;12-10-7-14-11-9(10)5-8(6-13-11)15-1-3-16-4-2-15/h1-21,31H;2*2-22H,1H3;2*1-21H;1-22H;3-18H,1-2H3;3-8H,1-2H3,(H,17,18);5-7H,1-4H2,(H,13,14).
What are the key properties of 5-(2-fluorophenyl)-3-(2-phenoxyphenyl)-7-phenylsulfanylperoxy-7H-cyclopenta[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;5-(3-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)-N,N-dimethylpyridin-2-amine;4-(3-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)morpholine;3-(2-methoxyphenyl)-5-(2-phenoxyphenyl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;3-(3-methoxyphenyl)-5-(2-phenoxyphenyl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;5-(2-phenoxyphenyl)-3-phenyl-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine?
5-(2-fluorophenyl)-3-(2-phenoxyphenyl)-7-phenylsulfanylperoxy-7H-cyclopenta[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;5-(3-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)-N,N-dimethylpyridin-2-amine;4-(3-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)morpholine;3-(2-methoxyphenyl)-5-(2-phenoxyphenyl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;3-(3-methoxyphenyl)-5-(2-phenoxyphenyl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;5-(2-phenoxyphenyl)-3-phenyl-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine has a molecular weight of 4293.49 g/mol, XLogP of 62.21, 60 rotatable bonds, 2 hydrogen bond donors, and 49 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluorophenyl)-3-(2-phenoxyphenyl)-7-phenylsulfanylperoxy-7H-cyclopenta[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;5-(3-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)-N,N-dimethylpyridin-2-amine;4-(3-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)morpholine;3-(2-methoxyphenyl)-5-(2-phenoxyphenyl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;3-(3-methoxyphenyl)-5-(2-phenoxyphenyl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;5-(2-phenoxyphenyl)-3-phenyl-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine is sourced from PubChem (CID 157116944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).