4-[1-(benzenesulfonyl)-3-iodopyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;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-trimethylstannylpyrrolo[2,3-b]pyridin-1-yl]silane;4-[1-[tert-butyl(dimethyl)silyl]-3-trimethylstannylpyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline

C94H119BrIN11O3SSi3Sn2 — CID 161799522

About 4-[1-(benzenesulfonyl)-3-iodopyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;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-trimethylstannylpyrrolo[2,3-b]pyridin-1-yl]silane;4-[1-[tert-butyl(dimethyl)silyl]-3-trimethylstannylpyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline

4-[1-(benzenesulfonyl)-3-iodopyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;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-trimethylstannylpyrrolo[2,3-b]pyridin-1-yl]silane;4-[1-[tert-butyl(dimethyl)silyl]-3-trimethylstannylpyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline (PubChem CID 161799522) has the molecular formula C94H119BrIN11O3SSi3Sn2 and a molecular weight of 2011.60 g/mol. Its IUPAC name is 4-[1-(benzenesulfonyl)-3-iodopyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;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-trimethylstannylpyrrolo[2,3-b]pyridin-1-yl]silane;4-[1-[tert-butyl(dimethyl)silyl]-3-trimethylstannylpyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline.

Molecular Properties

• Compound Name: 4-[1-(benzenesulfonyl)-3-iodopyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;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-trimethylstannylpyrrolo[2,3-b]pyridin-1-yl]silane;4-[1-[tert-butyl(dimethyl)silyl]-3-trimethylstannylpyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline
• PubChem CID: 161799522
• Molecular Formula: C94H119BrIN11O3SSi3Sn2
• Molecular Weight: 2011.60 g/mol
• Exact Mass: 2010.48
• IUPAC Name: 4-[1-(benzenesulfonyl)-3-iodopyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;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-trimethylstannylpyrrolo[2,3-b]pyridin-1-yl]silane;4-[1-[tert-butyl(dimethyl)silyl]-3-trimethylstannylpyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline
• SMILES: CC(C)(C)[Si](C)(C)N1C=C(C2=C1N=CC(=C2)C3=CC=C(C=C3)N(C)C)Br.CC(C)(C)[Si](C)(C)N1C=C(C2=C1N=CC(=C2)C3=CC=C(C=C3)N(C)C)[Sn](C)(C)C.CC(C)(C)[Si](C)(C)N1C=C(C2=C1N=CC(=C2)C3=CC=CC=C3OC4=CC=CC=C4)[Sn](C)(C)C.CN(C)C1=CC=C(C=C1)C2=CC3=C(N=C2)N(C=C3I)S(=O)(=O)C4=CC=CC=C4
• InChI: InChI=1S/C25H27N2OSi.C21H28BrN3Si.C21H18IN3O2S.C21H28N3Si.6CH3.2Sn/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;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;;;;;;;;/h6-14,16-18H,1-5H3;8-14H,1-7H3;3-14H,1-2H3;8-11,13-15H,1-7H3;6*1H3
• InChIKey: XSMGTJSIVLNVJV-UHFFFAOYSA-N
• XLogP: —
• TPSA: 133.00 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 19
• Heavy Atoms: 116
• Complexity: 2310

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	2011.60
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

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 4-[1-(benzenesulfonyl)-3-iodopyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;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-trimethylstannylpyrrolo[2,3-b]pyridin-1-yl]silane;4-[1-[tert-butyl(dimethyl)silyl]-3-trimethylstannylpyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline?

The IUPAC name of 4-[1-(benzenesulfonyl)-3-iodopyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;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-trimethylstannylpyrrolo[2,3-b]pyridin-1-yl]silane;4-[1-[tert-butyl(dimethyl)silyl]-3-trimethylstannylpyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline (CID 161799522) is 4-[1-(benzenesulfonyl)-3-iodopyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;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-trimethylstannylpyrrolo[2,3-b]pyridin-1-yl]silane;4-[1-[tert-butyl(dimethyl)silyl]-3-trimethylstannylpyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline.

What is the SMILES notation for 4-[1-(benzenesulfonyl)-3-iodopyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;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-trimethylstannylpyrrolo[2,3-b]pyridin-1-yl]silane;4-[1-[tert-butyl(dimethyl)silyl]-3-trimethylstannylpyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline?

The canonical SMILES for 4-[1-(benzenesulfonyl)-3-iodopyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;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-trimethylstannylpyrrolo[2,3-b]pyridin-1-yl]silane;4-[1-[tert-butyl(dimethyl)silyl]-3-trimethylstannylpyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline is CC(C)(C)[Si](C)(C)N1C=C(C2=C1N=CC(=C2)C3=CC=C(C=C3)N(C)C)Br.CC(C)(C)[Si](C)(C)N1C=C(C2=C1N=CC(=C2)C3=CC=C(C=C3)N(C)C)[Sn](C)(C)C.CC(C)(C)[Si](C)(C)N1C=C(C2=C1N=CC(=C2)C3=CC=CC=C3OC4=CC=CC=C4)[Sn](C)(C)C.CN(C)C1=CC=C(C=C1)C2=CC3=C(N=C2)N(C=C3I)S(=O)(=O)C4=CC=CC=C4.

What is the InChIKey of 4-[1-(benzenesulfonyl)-3-iodopyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;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-trimethylstannylpyrrolo[2,3-b]pyridin-1-yl]silane;4-[1-[tert-butyl(dimethyl)silyl]-3-trimethylstannylpyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline?

The InChIKey is XSMGTJSIVLNVJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N2OSi.C21H28BrN3Si.C21H18IN3O2S.C21H28N3Si.6CH3.2Sn/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;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;;;;;;;;/h6-14,16-18H,1-5H3;8-14H,1-7H3;3-14H,1-2H3;8-11,13-15H,1-7H3;6*1H3;;.

What are the key properties of 4-[1-(benzenesulfonyl)-3-iodopyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;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-trimethylstannylpyrrolo[2,3-b]pyridin-1-yl]silane;4-[1-[tert-butyl(dimethyl)silyl]-3-trimethylstannylpyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline?

4-[1-(benzenesulfonyl)-3-iodopyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;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-trimethylstannylpyrrolo[2,3-b]pyridin-1-yl]silane;4-[1-[tert-butyl(dimethyl)silyl]-3-trimethylstannylpyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline has a molecular weight of 2011.60 g/mol, XLogP of not available, 19 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[1-(benzenesulfonyl)-3-iodopyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;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-trimethylstannylpyrrolo[2,3-b]pyridin-1-yl]silane;4-[1-[tert-butyl(dimethyl)silyl]-3-trimethylstannylpyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline is sourced from PubChem (CID 161799522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).