1-(benzenesulfonyl)-3-iodo-5-phenylpyrrolo[2,3-b]pyridine;4-[1-(benzenesulfonyl)-3-iodopyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;bis(1-(benzenesulfonyl)-3-iodo-5-thiophen-2-ylpyrrolo[2,3-b]pyridine);4-[3-bromo-1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;tert-butyl-dimethyl-[5-(2-phenoxyphenyl)-3-tributylstannylpyrrolo[2,3-b]pyridin-1-yl]silane;4-[1-[tert-butyl(dimethyl)silyl]-3-tributylstannylpyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;4-[1-[tert-butyl(dimethyl)silyl]-3-trimethylstannylpyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline

C189H227BrI4N20O9S6Si4Sn3 — CID 157408221

About 1-(benzenesulfonyl)-3-iodo-5-phenylpyrrolo[2,3-b]pyridine;4-[1-(benzenesulfonyl)-3-iodopyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;bis(1-(benzenesulfonyl)-3-iodo-5-thiophen-2-ylpyrrolo[2,3-b]pyridine);4-[3-bromo-1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;tert-butyl-dimethyl-[5-(2-phenoxyphenyl)-3-tributylstannylpyrrolo[2,3-b]pyridin-1-yl]silane;4-[1-[tert-butyl(dimethyl)silyl]-3-tributylstannylpyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;4-[1-[tert-butyl(dimethyl)silyl]-3-trimethylstannylpyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline

1-(benzenesulfonyl)-3-iodo-5-phenylpyrrolo[2,3-b]pyridine;4-[1-(benzenesulfonyl)-3-iodopyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;bis(1-(benzenesulfonyl)-3-iodo-5-thiophen-2-ylpyrrolo[2,3-b]pyridine);4-[3-bromo-1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;tert-butyl-dimethyl-[5-(2-phenoxyphenyl)-3-tributylstannylpyrrolo[2,3-b]pyridin-1-yl]silane;4-[1-[tert-butyl(dimethyl)silyl]-3-tributylstannylpyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;4-[1-[tert-butyl(dimethyl)silyl]-3-trimethylstannylpyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline (PubChem CID 157408221) has the molecular formula C189H227BrI4N20O9S6Si4Sn3 and a molecular weight of 4171.42 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-3-iodo-5-phenylpyrrolo[2,3-b]pyridine;4-[1-(benzenesulfonyl)-3-iodopyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;bis(1-(benzenesulfonyl)-3-iodo-5-thiophen-2-ylpyrrolo[2,3-b]pyridine);4-[3-bromo-1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;tert-butyl-dimethyl-[5-(2-phenoxyphenyl)-3-tributylstannylpyrrolo[2,3-b]pyridin-1-yl]silane;4-[1-[tert-butyl(dimethyl)silyl]-3-tributylstannylpyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;4-[1-[tert-butyl(dimethyl)silyl]-3-trimethylstannylpyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline.

Molecular Properties

• Compound Name: 1-(benzenesulfonyl)-3-iodo-5-phenylpyrrolo[2,3-b]pyridine;4-[1-(benzenesulfonyl)-3-iodopyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;bis(1-(benzenesulfonyl)-3-iodo-5-thiophen-2-ylpyrrolo[2,3-b]pyridine);4-[3-bromo-1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;tert-butyl-dimethyl-[5-(2-phenoxyphenyl)-3-tributylstannylpyrrolo[2,3-b]pyridin-1-yl]silane;4-[1-[tert-butyl(dimethyl)silyl]-3-tributylstannylpyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;4-[1-[tert-butyl(dimethyl)silyl]-3-trimethylstannylpyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline
• PubChem CID: 157408221
• Molecular Formula: C189H227BrI4N20O9S6Si4Sn3
• Molecular Weight: 4171.42 g/mol
• Exact Mass: 4170.77
• IUPAC Name: 1-(benzenesulfonyl)-3-iodo-5-phenylpyrrolo[2,3-b]pyridine;4-[1-(benzenesulfonyl)-3-iodopyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;bis(1-(benzenesulfonyl)-3-iodo-5-thiophen-2-ylpyrrolo[2,3-b]pyridine);4-[3-bromo-1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;tert-butyl-dimethyl-[5-(2-phenoxyphenyl)-3-tributylstannylpyrrolo[2,3-b]pyridin-1-yl]silane;4-[1-[tert-butyl(dimethyl)silyl]-3-tributylstannylpyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;4-[1-[tert-butyl(dimethyl)silyl]-3-trimethylstannylpyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline
• SMILES: CCCC[Sn](CCCC)(CCCC)c1cn([Si](C)(C)C(C)(C)C)c2ncc(-c3ccc(N(C)C)cc3)cc12.CCCC[Sn](CCCC)(CCCC)c1cn([Si](C)(C)C(C)(C)C)c2ncc(-c3ccccc3Oc3ccccc3)cc12.CN(C)c1ccc(-c2cnc3c(c2)c(Br)cn3[Si](C)(C)C(C)(C)C)cc1.CN(C)c1ccc(-c2cnc3c(c2)c(I)cn3S(=O)(=O)c2ccccc2)cc1.CN(C)c1ccc(-c2cnc3c(c2)c([Sn](C)(C)C)cn3[Si](C)(C)C(C)(C)C)cc1.O=S(=O)(c1ccccc1)n1cc(I)c2cc(-c3ccccc3)cnc21.O=S(=O)(c1ccccc1)n1cc(I)c2cc(-c3cccs3)cnc21.O=S(=O)(c1ccccc1)n1cc(I)c2cc(-c3cccs3)cnc21
• InChI: InChI=1S/C25H27N2OSi.C21H28BrN3Si.C21H18IN3O2S.2C21H28N3Si.C19H13IN2O2S.2C17H11IN2O2S2.6C4H9.3CH3.3Sn/c1-25(2,3)29(4,5)27-16-15-19-17-20(18-26-24(19)27)22-13-9-10-14-23(22)28-21-11-7-6-8-12-21;1-21(2,3)26(6,7)25-14-19(22)18-12-16(13-23-20(18)25)15-8-10-17(11-9-15)24(4)5;1-24(2)17-10-8-15(9-11-17)16-12-19-20(22)14-25(21(19)23-13-16)28(26,27)18-6-4-3-5-7-18;2*1-21(2,3)25(6,7)24-13-12-17-14-18(15-22-20(17)24)16-8-10-19(11-9-16)23(4)5;20-18-13-22(25(23,24)16-9-5-2-6-10-16)19-17(18)11-15(12-21-19)14-7-3-1-4-8-14;2*18-15-11-20(24(21,22)13-5-2-1-3-6-13)17-14(15)9-12(10-19-17)16-7-4-8-23-16;6*1-3-4-2;;;;;;/h6-14,16-18H,1-5H3;8-14H,1-7H3;3-14H,1-2H3;2*8-11,13-15H,1-7H3;1-13H;2*1-11H;6*1,3-4H2,2H3;3*1H3
• InChIKey: BNYYMPWDTXOBRI-UHFFFAOYSA-N
• XLogP: 52.01
• TPSA: 301.31 Ų
• H-Bond Acceptors: 31
• Rotatable Bonds: 47
• Heavy Atoms: 236
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4171.42
LogP ≤ 5	52.01
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-3-iodo-5-phenylpyrrolo[2,3-b]pyridine;4-[1-(benzenesulfonyl)-3-iodopyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;bis(1-(benzenesulfonyl)-3-iodo-5-thiophen-2-ylpyrrolo[2,3-b]pyridine);4-[3-bromo-1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;tert-butyl-dimethyl-[5-(2-phenoxyphenyl)-3-tributylstannylpyrrolo[2,3-b]pyridin-1-yl]silane;4-[1-[tert-butyl(dimethyl)silyl]-3-tributylstannylpyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;4-[1-[tert-butyl(dimethyl)silyl]-3-trimethylstannylpyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline?

The IUPAC name of 1-(benzenesulfonyl)-3-iodo-5-phenylpyrrolo[2,3-b]pyridine;4-[1-(benzenesulfonyl)-3-iodopyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;bis(1-(benzenesulfonyl)-3-iodo-5-thiophen-2-ylpyrrolo[2,3-b]pyridine);4-[3-bromo-1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;tert-butyl-dimethyl-[5-(2-phenoxyphenyl)-3-tributylstannylpyrrolo[2,3-b]pyridin-1-yl]silane;4-[1-[tert-butyl(dimethyl)silyl]-3-tributylstannylpyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;4-[1-[tert-butyl(dimethyl)silyl]-3-trimethylstannylpyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline (CID 157408221) is 1-(benzenesulfonyl)-3-iodo-5-phenylpyrrolo[2,3-b]pyridine;4-[1-(benzenesulfonyl)-3-iodopyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;bis(1-(benzenesulfonyl)-3-iodo-5-thiophen-2-ylpyrrolo[2,3-b]pyridine);4-[3-bromo-1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;tert-butyl-dimethyl-[5-(2-phenoxyphenyl)-3-tributylstannylpyrrolo[2,3-b]pyridin-1-yl]silane;4-[1-[tert-butyl(dimethyl)silyl]-3-tributylstannylpyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;4-[1-[tert-butyl(dimethyl)silyl]-3-trimethylstannylpyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline.

What is the SMILES notation for 1-(benzenesulfonyl)-3-iodo-5-phenylpyrrolo[2,3-b]pyridine;4-[1-(benzenesulfonyl)-3-iodopyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;bis(1-(benzenesulfonyl)-3-iodo-5-thiophen-2-ylpyrrolo[2,3-b]pyridine);4-[3-bromo-1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;tert-butyl-dimethyl-[5-(2-phenoxyphenyl)-3-tributylstannylpyrrolo[2,3-b]pyridin-1-yl]silane;4-[1-[tert-butyl(dimethyl)silyl]-3-tributylstannylpyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;4-[1-[tert-butyl(dimethyl)silyl]-3-trimethylstannylpyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline?

The canonical SMILES for 1-(benzenesulfonyl)-3-iodo-5-phenylpyrrolo[2,3-b]pyridine;4-[1-(benzenesulfonyl)-3-iodopyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;bis(1-(benzenesulfonyl)-3-iodo-5-thiophen-2-ylpyrrolo[2,3-b]pyridine);4-[3-bromo-1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;tert-butyl-dimethyl-[5-(2-phenoxyphenyl)-3-tributylstannylpyrrolo[2,3-b]pyridin-1-yl]silane;4-[1-[tert-butyl(dimethyl)silyl]-3-tributylstannylpyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;4-[1-[tert-butyl(dimethyl)silyl]-3-trimethylstannylpyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline is CCCC[Sn](CCCC)(CCCC)c1cn([Si](C)(C)C(C)(C)C)c2ncc(-c3ccc(N(C)C)cc3)cc12.CCCC[Sn](CCCC)(CCCC)c1cn([Si](C)(C)C(C)(C)C)c2ncc(-c3ccccc3Oc3ccccc3)cc12.CN(C)c1ccc(-c2cnc3c(c2)c(Br)cn3[Si](C)(C)C(C)(C)C)cc1.CN(C)c1ccc(-c2cnc3c(c2)c(I)cn3S(=O)(=O)c2ccccc2)cc1.CN(C)c1ccc(-c2cnc3c(c2)c([Sn](C)(C)C)cn3[Si](C)(C)C(C)(C)C)cc1.O=S(=O)(c1ccccc1)n1cc(I)c2cc(-c3ccccc3)cnc21.O=S(=O)(c1ccccc1)n1cc(I)c2cc(-c3cccs3)cnc21.O=S(=O)(c1ccccc1)n1cc(I)c2cc(-c3cccs3)cnc21.

What is the InChIKey of 1-(benzenesulfonyl)-3-iodo-5-phenylpyrrolo[2,3-b]pyridine;4-[1-(benzenesulfonyl)-3-iodopyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;bis(1-(benzenesulfonyl)-3-iodo-5-thiophen-2-ylpyrrolo[2,3-b]pyridine);4-[3-bromo-1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;tert-butyl-dimethyl-[5-(2-phenoxyphenyl)-3-tributylstannylpyrrolo[2,3-b]pyridin-1-yl]silane;4-[1-[tert-butyl(dimethyl)silyl]-3-tributylstannylpyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;4-[1-[tert-butyl(dimethyl)silyl]-3-trimethylstannylpyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline?

The InChIKey is BNYYMPWDTXOBRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N2OSi.C21H28BrN3Si.C21H18IN3O2S.2C21H28N3Si.C19H13IN2O2S.2C17H11IN2O2S2.6C4H9.3CH3.3Sn/c1-25(2,3)29(4,5)27-16-15-19-17-20(18-26-24(19)27)22-13-9-10-14-23(22)28-21-11-7-6-8-12-21;1-21(2,3)26(6,7)25-14-19(22)18-12-16(13-23-20(18)25)15-8-10-17(11-9-15)24(4)5;1-24(2)17-10-8-15(9-11-17)16-12-19-20(22)14-25(21(19)23-13-16)28(26,27)18-6-4-3-5-7-18;2*1-21(2,3)25(6,7)24-13-12-17-14-18(15-22-20(17)24)16-8-10-19(11-9-16)23(4)5;20-18-13-22(25(23,24)16-9-5-2-6-10-16)19-17(18)11-15(12-21-19)14-7-3-1-4-8-14;2*18-15-11-20(24(21,22)13-5-2-1-3-6-13)17-14(15)9-12(10-19-17)16-7-4-8-23-16;6*1-3-4-2;;;;;;/h6-14,16-18H,1-5H3;8-14H,1-7H3;3-14H,1-2H3;2*8-11,13-15H,1-7H3;1-13H;2*1-11H;6*1,3-4H2,2H3;3*1H3;;;.

What are the key properties of 1-(benzenesulfonyl)-3-iodo-5-phenylpyrrolo[2,3-b]pyridine;4-[1-(benzenesulfonyl)-3-iodopyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;bis(1-(benzenesulfonyl)-3-iodo-5-thiophen-2-ylpyrrolo[2,3-b]pyridine);4-[3-bromo-1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;tert-butyl-dimethyl-[5-(2-phenoxyphenyl)-3-tributylstannylpyrrolo[2,3-b]pyridin-1-yl]silane;4-[1-[tert-butyl(dimethyl)silyl]-3-tributylstannylpyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;4-[1-[tert-butyl(dimethyl)silyl]-3-trimethylstannylpyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline?

1-(benzenesulfonyl)-3-iodo-5-phenylpyrrolo[2,3-b]pyridine;4-[1-(benzenesulfonyl)-3-iodopyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;bis(1-(benzenesulfonyl)-3-iodo-5-thiophen-2-ylpyrrolo[2,3-b]pyridine);4-[3-bromo-1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;tert-butyl-dimethyl-[5-(2-phenoxyphenyl)-3-tributylstannylpyrrolo[2,3-b]pyridin-1-yl]silane;4-[1-[tert-butyl(dimethyl)silyl]-3-tributylstannylpyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;4-[1-[tert-butyl(dimethyl)silyl]-3-trimethylstannylpyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline has a molecular weight of 4171.42 g/mol, XLogP of 52.01, 47 rotatable bonds, 0 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(benzenesulfonyl)-3-iodo-5-phenylpyrrolo[2,3-b]pyridine;4-[1-(benzenesulfonyl)-3-iodopyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;bis(1-(benzenesulfonyl)-3-iodo-5-thiophen-2-ylpyrrolo[2,3-b]pyridine);4-[3-bromo-1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;tert-butyl-dimethyl-[5-(2-phenoxyphenyl)-3-tributylstannylpyrrolo[2,3-b]pyridin-1-yl]silane;4-[1-[tert-butyl(dimethyl)silyl]-3-tributylstannylpyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;4-[1-[tert-butyl(dimethyl)silyl]-3-trimethylstannylpyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline is sourced from PubChem (CID 157408221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).