8-[5-[2-[3,5-bis[2-methyl-2-(6-phenyl-3-pyridinyl)propyl]phenyl]-1,1,2,2-tetradeuterioethyl]-4-(trideuteriomethyl)-2-pyridinyl]-3-deuterio-1-phenyl-[1]benzofuro[2,3-c]pyridine

C61H54N4O — CID 171404753

About 8-[5-[2-[3,5-bis[2-methyl-2-(6-phenyl-3-pyridinyl)propyl]phenyl]-1,1,2,2-tetradeuterioethyl]-4-(trideuteriomethyl)-2-pyridinyl]-3-deuterio-1-phenyl-[1]benzofuro[2,3-c]pyridine

8-[5-[2-[3,5-bis[2-methyl-2-(6-phenyl-3-pyridinyl)propyl]phenyl]-1,1,2,2-tetradeuterioethyl]-4-(trideuteriomethyl)-2-pyridinyl]-3-deuterio-1-phenyl-[1]benzofuro[2,3-c]pyridine (PubChem CID 171404753) has the molecular formula C61H54N4O and a molecular weight of 867.18 g/mol. Its IUPAC name is 8-[5-[2-[3,5-bis[2-methyl-2-(6-phenyl-3-pyridinyl)propyl]phenyl]-1,1,2,2-tetradeuterioethyl]-4-(trideuteriomethyl)-2-pyridinyl]-3-deuterio-1-phenyl-[1]benzofuro[2,3-c]pyridine.

Molecular Properties

• Compound Name: 8-[5-[2-[3,5-bis[2-methyl-2-(6-phenyl-3-pyridinyl)propyl]phenyl]-1,1,2,2-tetradeuterioethyl]-4-(trideuteriomethyl)-2-pyridinyl]-3-deuterio-1-phenyl-[1]benzofuro[2,3-c]pyridine
• PubChem CID: 171404753
• Molecular Formula: C61H54N4O
• Molecular Weight: 867.18 g/mol
• Exact Mass: 866.48
• IUPAC Name: 8-[5-[2-[3,5-bis[2-methyl-2-(6-phenyl-3-pyridinyl)propyl]phenyl]-1,1,2,2-tetradeuterioethyl]-4-(trideuteriomethyl)-2-pyridinyl]-3-deuterio-1-phenyl-[1]benzofuro[2,3-c]pyridine
• SMILES: [2H]c1cc2c(oc3c(-c4cc(C([2H])([2H])[2H])c(C([2H])([2H])C([2H])([2H])c5cc(CC(C)(C)c6ccc(-c7ccccc7)nc6)cc(CC(C)(C)c6ccc(-c7ccccc7)nc6)c5)cn4)cccc32)c(-c2ccccc2)n1
• InChI: InChI=1S/C61H54N4O/c1-41-32-56(53-23-15-22-51-52-30-31-62-57(59(52)66-58(51)53)47-20-13-8-14-21-47)63-38-48(41)25-24-42-33-43(36-60(2,3)49-26-28-54(64-39-49)45-16-9-6-10-17-45)35-44(34-42)37-61(4,5)50-27-29-55(65-40-50)46-18-11-7-12-19-46/h6-23,26-35,38-40H,24-25,36-37H2,1-5H3/i1D3,24D2,25D2,31D
• InChIKey: UDDPKHXDXLRTRE-ABTIKZNSSA-N
• XLogP: 14.97
• TPSA: 64.70 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 14
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	867.18
LogP ≤ 5	14.97
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 8-[5-[2-[3,5-bis[2-methyl-2-(6-phenyl-3-pyridinyl)propyl]phenyl]-1,1,2,2-tetradeuterioethyl]-4-(trideuteriomethyl)-2-pyridinyl]-3-deuterio-1-phenyl-[1]benzofuro[2,3-c]pyridine?

The IUPAC name of 8-[5-[2-[3,5-bis[2-methyl-2-(6-phenyl-3-pyridinyl)propyl]phenyl]-1,1,2,2-tetradeuterioethyl]-4-(trideuteriomethyl)-2-pyridinyl]-3-deuterio-1-phenyl-[1]benzofuro[2,3-c]pyridine (CID 171404753) is 8-[5-[2-[3,5-bis[2-methyl-2-(6-phenyl-3-pyridinyl)propyl]phenyl]-1,1,2,2-tetradeuterioethyl]-4-(trideuteriomethyl)-2-pyridinyl]-3-deuterio-1-phenyl-[1]benzofuro[2,3-c]pyridine.

What is the SMILES notation for 8-[5-[2-[3,5-bis[2-methyl-2-(6-phenyl-3-pyridinyl)propyl]phenyl]-1,1,2,2-tetradeuterioethyl]-4-(trideuteriomethyl)-2-pyridinyl]-3-deuterio-1-phenyl-[1]benzofuro[2,3-c]pyridine?

The canonical SMILES for 8-[5-[2-[3,5-bis[2-methyl-2-(6-phenyl-3-pyridinyl)propyl]phenyl]-1,1,2,2-tetradeuterioethyl]-4-(trideuteriomethyl)-2-pyridinyl]-3-deuterio-1-phenyl-[1]benzofuro[2,3-c]pyridine is [2H]c1cc2c(oc3c(-c4cc(C([2H])([2H])[2H])c(C([2H])([2H])C([2H])([2H])c5cc(CC(C)(C)c6ccc(-c7ccccc7)nc6)cc(CC(C)(C)c6ccc(-c7ccccc7)nc6)c5)cn4)cccc32)c(-c2ccccc2)n1.

What is the InChIKey of 8-[5-[2-[3,5-bis[2-methyl-2-(6-phenyl-3-pyridinyl)propyl]phenyl]-1,1,2,2-tetradeuterioethyl]-4-(trideuteriomethyl)-2-pyridinyl]-3-deuterio-1-phenyl-[1]benzofuro[2,3-c]pyridine?

The InChIKey is UDDPKHXDXLRTRE-ABTIKZNSSA-N. The full InChI is InChI=1S/C61H54N4O/c1-41-32-56(53-23-15-22-51-52-30-31-62-57(59(52)66-58(51)53)47-20-13-8-14-21-47)63-38-48(41)25-24-42-33-43(36-60(2,3)49-26-28-54(64-39-49)45-16-9-6-10-17-45)35-44(34-42)37-61(4,5)50-27-29-55(65-40-50)46-18-11-7-12-19-46/h6-23,26-35,38-40H,24-25,36-37H2,1-5H3/i1D3,24D2,25D2,31D.

What are the key properties of 8-[5-[2-[3,5-bis[2-methyl-2-(6-phenyl-3-pyridinyl)propyl]phenyl]-1,1,2,2-tetradeuterioethyl]-4-(trideuteriomethyl)-2-pyridinyl]-3-deuterio-1-phenyl-[1]benzofuro[2,3-c]pyridine?

8-[5-[2-[3,5-bis[2-methyl-2-(6-phenyl-3-pyridinyl)propyl]phenyl]-1,1,2,2-tetradeuterioethyl]-4-(trideuteriomethyl)-2-pyridinyl]-3-deuterio-1-phenyl-[1]benzofuro[2,3-c]pyridine has a molecular weight of 867.18 g/mol, XLogP of 14.97, 14 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[5-[2-[3,5-bis[2-methyl-2-(6-phenyl-3-pyridinyl)propyl]phenyl]-1,1,2,2-tetradeuterioethyl]-4-(trideuteriomethyl)-2-pyridinyl]-3-deuterio-1-phenyl-[1]benzofuro[2,3-c]pyridine is sourced from PubChem (CID 171404753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).