tert-butyl (2S)-2-[6-[5-[2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]naphthalen-1-yl]-1H-benzimidazol-2-yl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3H-indol-2-yl]pyrrolidine-1-carboxylate;1,5-dibromonaphthalene

C75H85BBr2N8O8 — CID 123795694

About tert-butyl (2S)-2-[6-[5-[2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]naphthalen-1-yl]-1H-benzimidazol-2-yl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3H-indol-2-yl]pyrrolidine-1-carboxylate;1,5-dibromonaphthalene

tert-butyl (2S)-2-[6-[5-[2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]naphthalen-1-yl]-1H-benzimidazol-2-yl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3H-indol-2-yl]pyrrolidine-1-carboxylate;1,5-dibromonaphthalene (PubChem CID 123795694) has the molecular formula C75H85BBr2N8O8 and a molecular weight of 1397.17 g/mol. Its IUPAC name is tert-butyl (2S)-2-[6-[5-[2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]naphthalen-1-yl]-1H-benzimidazol-2-yl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3H-indol-2-yl]pyrrolidine-1-carboxylate;1,5-dibromonaphthalene.

Molecular Properties

• Compound Name: tert-butyl (2S)-2-[6-[5-[2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]naphthalen-1-yl]-1H-benzimidazol-2-yl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3H-indol-2-yl]pyrrolidine-1-carboxylate;1,5-dibromonaphthalene
• PubChem CID: 123795694
• Molecular Formula: C75H85BBr2N8O8
• Molecular Weight: 1397.17 g/mol
• Exact Mass: 1394.50
• IUPAC Name: tert-butyl (2S)-2-[6-[5-[2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]naphthalen-1-yl]-1H-benzimidazol-2-yl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3H-indol-2-yl]pyrrolidine-1-carboxylate;1,5-dibromonaphthalene
• SMILES: Brc1cccc2c(Br)cccc12.CC(C)(C)OC(=O)N1CCC[C@H]1C1=Nc2cc(B3OC(C)(C)C(C)(C)O3)ccc2C1.CC(C)(C)OC(=O)N1CCC[C@H]1c1nc2ccc(-c3cccc4c(-c5ccc6nc([C@@H]7CCCN7C(=O)OC(C)(C)C)[nH]c6c5)cccc34)cc2[nH]1
• InChI: InChI=1S/C42H46N6O4.C23H33BN2O4.C10H6Br2/c1-41(2,3)51-39(49)47-21-9-15-35(47)37-43-31-19-17-25(23-33(31)45-37)27-11-7-14-30-28(12-8-13-29(27)30)26-18-20-32-34(24-26)46-38(44-32)36-16-10-22-48(36)40(50)52-42(4,5)6;1-21(2,3)28-20(27)26-12-8-9-19(26)18-13-15-10-11-16(14-17(15)25-18)24-29-22(4,5)23(6,7)30-24;11-9-5-1-3-7-8(9)4-2-6-10(7)12/h7-8,11-14,17-20,23-24,35-36H,9-10,15-16,21-22H2,1-6H3,(H,43,45)(H,44,46);10-11,14,19H,8-9,12-13H2,1-7H3;1-6H/t35-,36-;19-;/m00./s1
• InChIKey: NUDAWBAKLFKGOX-ZGJNWWNLSA-N
• XLogP: 18.45
• TPSA: 176.80 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 6
• Heavy Atoms: 94
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1397.17
LogP ≤ 5	18.45
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of tert-butyl (2S)-2-[6-[5-[2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]naphthalen-1-yl]-1H-benzimidazol-2-yl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3H-indol-2-yl]pyrrolidine-1-carboxylate;1,5-dibromonaphthalene (CID 123795694) is tert-butyl (2S)-2-[6-[5-[2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]naphthalen-1-yl]-1H-benzimidazol-2-yl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3H-indol-2-yl]pyrrolidine-1-carboxylate;1,5-dibromonaphthalene.

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

The canonical SMILES for tert-butyl (2S)-2-[6-[5-[2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]naphthalen-1-yl]-1H-benzimidazol-2-yl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3H-indol-2-yl]pyrrolidine-1-carboxylate;1,5-dibromonaphthalene is Brc1cccc2c(Br)cccc12.CC(C)(C)OC(=O)N1CCC[C@H]1C1=Nc2cc(B3OC(C)(C)C(C)(C)O3)ccc2C1.CC(C)(C)OC(=O)N1CCC[C@H]1c1nc2ccc(-c3cccc4c(-c5ccc6nc([C@@H]7CCCN7C(=O)OC(C)(C)C)[nH]c6c5)cccc34)cc2[nH]1.

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

The InChIKey is NUDAWBAKLFKGOX-ZGJNWWNLSA-N. The full InChI is InChI=1S/C42H46N6O4.C23H33BN2O4.C10H6Br2/c1-41(2,3)51-39(49)47-21-9-15-35(47)37-43-31-19-17-25(23-33(31)45-37)27-11-7-14-30-28(12-8-13-29(27)30)26-18-20-32-34(24-26)46-38(44-32)36-16-10-22-48(36)40(50)52-42(4,5)6;1-21(2,3)28-20(27)26-12-8-9-19(26)18-13-15-10-11-16(14-17(15)25-18)24-29-22(4,5)23(6,7)30-24;11-9-5-1-3-7-8(9)4-2-6-10(7)12/h7-8,11-14,17-20,23-24,35-36H,9-10,15-16,21-22H2,1-6H3,(H,43,45)(H,44,46);10-11,14,19H,8-9,12-13H2,1-7H3;1-6H/t35-,36-;19-;/m00./s1.

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

tert-butyl (2S)-2-[6-[5-[2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]naphthalen-1-yl]-1H-benzimidazol-2-yl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3H-indol-2-yl]pyrrolidine-1-carboxylate;1,5-dibromonaphthalene has a molecular weight of 1397.17 g/mol, XLogP of 18.45, 6 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl (2S)-2-[6-[5-[2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]naphthalen-1-yl]-1H-benzimidazol-2-yl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3H-indol-2-yl]pyrrolidine-1-carboxylate;1,5-dibromonaphthalene is sourced from PubChem (CID 123795694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).