8-[1-[2,6-bis(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]-3-methylbenzo[e]benzimidazol-1-ium-2-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;8-[1-[2,6-bis(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]-3-methylbenzo[e]benzimidazol-1-ium-2-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;8-[1-[2,6-bis(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]-3-methylbenzo[f]benzimidazol-3-ium-2-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;8-[1-[2,6-bis(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]-3-methylbenzo[f]benzimidazol-3-ium-2-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine

C146H140N12O4+4 — CID 158666249

About 8-[1-[2,6-bis(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]-3-methylbenzo[e]benzimidazol-1-ium-2-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;8-[1-[2,6-bis(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]-3-methylbenzo[e]benzimidazol-1-ium-2-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;8-[1-[2,6-bis(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]-3-methylbenzo[f]benzimidazol-3-ium-2-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;8-[1-[2,6-bis(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]-3-methylbenzo[f]benzimidazol-3-ium-2-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine

8-[1-[2,6-bis(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]-3-methylbenzo[e]benzimidazol-1-ium-2-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;8-[1-[2,6-bis(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]-3-methylbenzo[e]benzimidazol-1-ium-2-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;8-[1-[2,6-bis(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]-3-methylbenzo[f]benzimidazol-3-ium-2-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;8-[1-[2,6-bis(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]-3-methylbenzo[f]benzimidazol-3-ium-2-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine (PubChem CID 158666249) has the molecular formula C146H140N12O4+4 and a molecular weight of 2159.00 g/mol. Its IUPAC name is 8-[1-[2,6-bis(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]-3-methylbenzo[e]benzimidazol-1-ium-2-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;8-[1-[2,6-bis(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]-3-methylbenzo[e]benzimidazol-1-ium-2-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;8-[1-[2,6-bis(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]-3-methylbenzo[f]benzimidazol-3-ium-2-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;8-[1-[2,6-bis(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]-3-methylbenzo[f]benzimidazol-3-ium-2-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine.

Molecular Properties

• Compound Name: 8-[1-[2,6-bis(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]-3-methylbenzo[e]benzimidazol-1-ium-2-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;8-[1-[2,6-bis(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]-3-methylbenzo[e]benzimidazol-1-ium-2-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;8-[1-[2,6-bis(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]-3-methylbenzo[f]benzimidazol-3-ium-2-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;8-[1-[2,6-bis(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]-3-methylbenzo[f]benzimidazol-3-ium-2-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine
• PubChem CID: 158666249
• Molecular Formula: C146H140N12O4+4
• Molecular Weight: 2159.00 g/mol
• Exact Mass: 2157.31
• IUPAC Name: 8-[1-[2,6-bis(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]-3-methylbenzo[e]benzimidazol-1-ium-2-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;8-[1-[2,6-bis(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]-3-methylbenzo[e]benzimidazol-1-ium-2-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;8-[1-[2,6-bis(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]-3-methylbenzo[f]benzimidazol-3-ium-2-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;8-[1-[2,6-bis(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]-3-methylbenzo[f]benzimidazol-3-ium-2-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine
• SMILES: [2H]C([2H])([2H])C([2H])(C)c1cccc(C([2H])(C)C([2H])([2H])[2H])c1-[n+]1c(-c2c(C)ccc3c2oc2nc(C)ccc23)n(C)c2ccc3ccccc3c21.[2H]C([2H])([2H])C([2H])(C)c1cccc(C([2H])(C)C([2H])([2H])[2H])c1-[n+]1c(-c2c(C)ccc3c2oc2ncccc23)n(C)c2ccc3ccccc3c21.[2H]C([2H])([2H])C([2H])(C)c1cccc(C([2H])(C)C([2H])([2H])[2H])c1-n1c(-c2c(C)ccc3c2oc2nc(C)ccc23)[n+](C)c2cc3ccccc3cc21.[2H]C([2H])([2H])C([2H])(C)c1cccc(C([2H])(C)C([2H])([2H])[2H])c1-n1c(-c2c(C)ccc3c2oc2ncccc23)[n+](C)c2cc3ccccc3cc21
• InChI: InChI=1S/2C37H36N3O.2C36H34N3O/c1-21(2)26-13-10-14-27(22(3)4)33(26)40-34-28-12-9-8-11-25(28)17-20-31(34)39(7)37(40)32-23(5)15-18-29-30-19-16-24(6)38-36(30)41-35(29)32;1-21(2)27-13-10-14-28(22(3)4)34(27)40-32-20-26-12-9-8-11-25(26)19-31(32)39(7)37(40)33-23(5)15-17-29-30-18-16-24(6)38-36(30)41-35(29)33;1-21(2)25-13-9-14-26(22(3)4)32(25)39-33-27-12-8-7-11-24(27)17-19-30(33)38(6)36(39)31-23(5)16-18-28-29-15-10-20-37-35(29)40-34(28)31;1-21(2)26-13-9-14-27(22(3)4)33(26)39-31-20-25-12-8-7-11-24(25)19-30(31)38(6)36(39)32-23(5)16-17-28-29-15-10-18-37-35(29)40-34(28)32/h2*8-22H,1-7H3;2*7-22H,1-6H3/q4*+1/i4*1D3,3D3,21D,22D
• InChIKey: NOXDPQQFGHOMTK-IMKVFULGSA-N
• XLogP: 37.12
• TPSA: 139.36 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 24
• Heavy Atoms: 162
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2159.00
LogP ≤ 5	37.12
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 8-[1-[2,6-bis(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]-3-methylbenzo[e]benzimidazol-1-ium-2-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;8-[1-[2,6-bis(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]-3-methylbenzo[e]benzimidazol-1-ium-2-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;8-[1-[2,6-bis(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]-3-methylbenzo[f]benzimidazol-3-ium-2-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;8-[1-[2,6-bis(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]-3-methylbenzo[f]benzimidazol-3-ium-2-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine?

The IUPAC name of 8-[1-[2,6-bis(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]-3-methylbenzo[e]benzimidazol-1-ium-2-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;8-[1-[2,6-bis(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]-3-methylbenzo[e]benzimidazol-1-ium-2-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;8-[1-[2,6-bis(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]-3-methylbenzo[f]benzimidazol-3-ium-2-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;8-[1-[2,6-bis(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]-3-methylbenzo[f]benzimidazol-3-ium-2-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine (CID 158666249) is 8-[1-[2,6-bis(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]-3-methylbenzo[e]benzimidazol-1-ium-2-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;8-[1-[2,6-bis(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]-3-methylbenzo[e]benzimidazol-1-ium-2-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;8-[1-[2,6-bis(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]-3-methylbenzo[f]benzimidazol-3-ium-2-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;8-[1-[2,6-bis(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]-3-methylbenzo[f]benzimidazol-3-ium-2-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine.

What is the SMILES notation for 8-[1-[2,6-bis(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]-3-methylbenzo[e]benzimidazol-1-ium-2-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;8-[1-[2,6-bis(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]-3-methylbenzo[e]benzimidazol-1-ium-2-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;8-[1-[2,6-bis(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]-3-methylbenzo[f]benzimidazol-3-ium-2-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;8-[1-[2,6-bis(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]-3-methylbenzo[f]benzimidazol-3-ium-2-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine?

The canonical SMILES for 8-[1-[2,6-bis(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]-3-methylbenzo[e]benzimidazol-1-ium-2-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;8-[1-[2,6-bis(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]-3-methylbenzo[e]benzimidazol-1-ium-2-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;8-[1-[2,6-bis(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]-3-methylbenzo[f]benzimidazol-3-ium-2-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;8-[1-[2,6-bis(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]-3-methylbenzo[f]benzimidazol-3-ium-2-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine is [2H]C([2H])([2H])C([2H])(C)c1cccc(C([2H])(C)C([2H])([2H])[2H])c1-[n+]1c(-c2c(C)ccc3c2oc2nc(C)ccc23)n(C)c2ccc3ccccc3c21.[2H]C([2H])([2H])C([2H])(C)c1cccc(C([2H])(C)C([2H])([2H])[2H])c1-[n+]1c(-c2c(C)ccc3c2oc2ncccc23)n(C)c2ccc3ccccc3c21.[2H]C([2H])([2H])C([2H])(C)c1cccc(C([2H])(C)C([2H])([2H])[2H])c1-n1c(-c2c(C)ccc3c2oc2nc(C)ccc23)[n+](C)c2cc3ccccc3cc21.[2H]C([2H])([2H])C([2H])(C)c1cccc(C([2H])(C)C([2H])([2H])[2H])c1-n1c(-c2c(C)ccc3c2oc2ncccc23)[n+](C)c2cc3ccccc3cc21.

What is the InChIKey of 8-[1-[2,6-bis(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]-3-methylbenzo[e]benzimidazol-1-ium-2-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;8-[1-[2,6-bis(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]-3-methylbenzo[e]benzimidazol-1-ium-2-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;8-[1-[2,6-bis(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]-3-methylbenzo[f]benzimidazol-3-ium-2-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;8-[1-[2,6-bis(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]-3-methylbenzo[f]benzimidazol-3-ium-2-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine?

The InChIKey is NOXDPQQFGHOMTK-IMKVFULGSA-N. The full InChI is InChI=1S/2C37H36N3O.2C36H34N3O/c1-21(2)26-13-10-14-27(22(3)4)33(26)40-34-28-12-9-8-11-25(28)17-20-31(34)39(7)37(40)32-23(5)15-18-29-30-19-16-24(6)38-36(30)41-35(29)32;1-21(2)27-13-10-14-28(22(3)4)34(27)40-32-20-26-12-9-8-11-25(26)19-31(32)39(7)37(40)33-23(5)15-17-29-30-18-16-24(6)38-36(30)41-35(29)33;1-21(2)25-13-9-14-26(22(3)4)32(25)39-33-27-12-8-7-11-24(27)17-19-30(33)38(6)36(39)31-23(5)16-18-28-29-15-10-20-37-35(29)40-34(28)31;1-21(2)26-13-9-14-27(22(3)4)33(26)39-31-20-25-12-8-7-11-24(25)19-30(31)38(6)36(39)32-23(5)16-17-28-29-15-10-18-37-35(29)40-34(28)32/h2*8-22H,1-7H3;2*7-22H,1-6H3/q4*+1/i4*1D3,3D3,21D,22D.

What are the key properties of 8-[1-[2,6-bis(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]-3-methylbenzo[e]benzimidazol-1-ium-2-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;8-[1-[2,6-bis(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]-3-methylbenzo[e]benzimidazol-1-ium-2-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;8-[1-[2,6-bis(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]-3-methylbenzo[f]benzimidazol-3-ium-2-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;8-[1-[2,6-bis(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]-3-methylbenzo[f]benzimidazol-3-ium-2-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine?

8-[1-[2,6-bis(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]-3-methylbenzo[e]benzimidazol-1-ium-2-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;8-[1-[2,6-bis(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]-3-methylbenzo[e]benzimidazol-1-ium-2-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;8-[1-[2,6-bis(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]-3-methylbenzo[f]benzimidazol-3-ium-2-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;8-[1-[2,6-bis(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]-3-methylbenzo[f]benzimidazol-3-ium-2-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine has a molecular weight of 2159.00 g/mol, XLogP of 37.12, 24 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[1-[2,6-bis(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]-3-methylbenzo[e]benzimidazol-1-ium-2-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;8-[1-[2,6-bis(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]-3-methylbenzo[e]benzimidazol-1-ium-2-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;8-[1-[2,6-bis(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]-3-methylbenzo[f]benzimidazol-3-ium-2-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;8-[1-[2,6-bis(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]-3-methylbenzo[f]benzimidazol-3-ium-2-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine is sourced from PubChem (CID 158666249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).