tert-butyl (2S)-2-[5-(6-bromonaphthalen-2-yl)-3H-indol-2-yl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3H-indol-2-yl]pyrrolidine-1-carboxylate;2,6-dibromonaphthalene;sulfane

C60H70BBr3N4O6S2 — CID 158605532

About tert-butyl (2S)-2-[5-(6-bromonaphthalen-2-yl)-3H-indol-2-yl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3H-indol-2-yl]pyrrolidine-1-carboxylate;2,6-dibromonaphthalene;sulfane

tert-butyl (2S)-2-[5-(6-bromonaphthalen-2-yl)-3H-indol-2-yl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3H-indol-2-yl]pyrrolidine-1-carboxylate;2,6-dibromonaphthalene;sulfane (PubChem CID 158605532) has the molecular formula C60H70BBr3N4O6S2 and a molecular weight of 1257.90 g/mol. Its IUPAC name is tert-butyl (2S)-2-[5-(6-bromonaphthalen-2-yl)-3H-indol-2-yl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3H-indol-2-yl]pyrrolidine-1-carboxylate;2,6-dibromonaphthalene;sulfane.

Molecular Properties

• Compound Name: tert-butyl (2S)-2-[5-(6-bromonaphthalen-2-yl)-3H-indol-2-yl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3H-indol-2-yl]pyrrolidine-1-carboxylate;2,6-dibromonaphthalene;sulfane
• PubChem CID: 158605532
• Molecular Formula: C60H70BBr3N4O6S2
• Molecular Weight: 1257.90 g/mol
• Exact Mass: 1254.24
• IUPAC Name: tert-butyl (2S)-2-[5-(6-bromonaphthalen-2-yl)-3H-indol-2-yl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3H-indol-2-yl]pyrrolidine-1-carboxylate;2,6-dibromonaphthalene;sulfane
• SMILES: Brc1ccc2cc(Br)ccc2c1.CC(C)(C)OC(=O)N1CCC[C@H]1C1=Nc2ccc(-c3ccc4cc(Br)ccc4c3)cc2C1.CC(C)(C)OC(=O)N1CCC[C@H]1C1=Nc2ccc(B3OC(C)(C)C(C)(C)O3)cc2C1.S.S
• InChI: InChI=1S/C27H27BrN2O2.C23H33BN2O4.C10H6Br2.2H2S/c1-27(2,3)32-26(31)30-12-4-5-25(30)24-16-21-14-19(9-11-23(21)29-24)17-6-7-20-15-22(28)10-8-18(20)13-17;1-21(2,3)28-20(27)26-12-8-9-19(26)18-14-15-13-16(10-11-17(15)25-18)24-29-22(4,5)23(6,7)30-24;11-9-3-1-7-5-10(12)4-2-8(7)6-9;;/h6-11,13-15,25H,4-5,12,16H2,1-3H3;10-11,13,19H,8-9,12,14H2,1-7H3;1-6H;2*1H2/t25-;19-;;;/m00.../s1
• InChIKey: HWEBUFRRNJVYGK-XDDIRGISSA-N
• XLogP: 15.90
• TPSA: 102.26 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1257.90
LogP ≤ 5	15.90
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-2-[5-(6-bromonaphthalen-2-yl)-3H-indol-2-yl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3H-indol-2-yl]pyrrolidine-1-carboxylate;2,6-dibromonaphthalene;sulfane?

The IUPAC name of tert-butyl (2S)-2-[5-(6-bromonaphthalen-2-yl)-3H-indol-2-yl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3H-indol-2-yl]pyrrolidine-1-carboxylate;2,6-dibromonaphthalene;sulfane (CID 158605532) is tert-butyl (2S)-2-[5-(6-bromonaphthalen-2-yl)-3H-indol-2-yl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3H-indol-2-yl]pyrrolidine-1-carboxylate;2,6-dibromonaphthalene;sulfane.

What is the SMILES notation for tert-butyl (2S)-2-[5-(6-bromonaphthalen-2-yl)-3H-indol-2-yl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3H-indol-2-yl]pyrrolidine-1-carboxylate;2,6-dibromonaphthalene;sulfane?

The canonical SMILES for tert-butyl (2S)-2-[5-(6-bromonaphthalen-2-yl)-3H-indol-2-yl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3H-indol-2-yl]pyrrolidine-1-carboxylate;2,6-dibromonaphthalene;sulfane is Brc1ccc2cc(Br)ccc2c1.CC(C)(C)OC(=O)N1CCC[C@H]1C1=Nc2ccc(-c3ccc4cc(Br)ccc4c3)cc2C1.CC(C)(C)OC(=O)N1CCC[C@H]1C1=Nc2ccc(B3OC(C)(C)C(C)(C)O3)cc2C1.S.S.

What is the InChIKey of tert-butyl (2S)-2-[5-(6-bromonaphthalen-2-yl)-3H-indol-2-yl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3H-indol-2-yl]pyrrolidine-1-carboxylate;2,6-dibromonaphthalene;sulfane?

The InChIKey is HWEBUFRRNJVYGK-XDDIRGISSA-N. The full InChI is InChI=1S/C27H27BrN2O2.C23H33BN2O4.C10H6Br2.2H2S/c1-27(2,3)32-26(31)30-12-4-5-25(30)24-16-21-14-19(9-11-23(21)29-24)17-6-7-20-15-22(28)10-8-18(20)13-17;1-21(2,3)28-20(27)26-12-8-9-19(26)18-14-15-13-16(10-11-17(15)25-18)24-29-22(4,5)23(6,7)30-24;11-9-3-1-7-5-10(12)4-2-8(7)6-9;;/h6-11,13-15,25H,4-5,12,16H2,1-3H3;10-11,13,19H,8-9,12,14H2,1-7H3;1-6H;2*1H2/t25-;19-;;;/m00.../s1.

What are the key properties of tert-butyl (2S)-2-[5-(6-bromonaphthalen-2-yl)-3H-indol-2-yl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3H-indol-2-yl]pyrrolidine-1-carboxylate;2,6-dibromonaphthalene;sulfane?

tert-butyl (2S)-2-[5-(6-bromonaphthalen-2-yl)-3H-indol-2-yl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3H-indol-2-yl]pyrrolidine-1-carboxylate;2,6-dibromonaphthalene;sulfane has a molecular weight of 1257.90 g/mol, XLogP of 15.90, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl (2S)-2-[5-(6-bromonaphthalen-2-yl)-3H-indol-2-yl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3H-indol-2-yl]pyrrolidine-1-carboxylate;2,6-dibromonaphthalene;sulfane is sourced from PubChem (CID 158605532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).