3-[4-(2,8-dibutyldibenzofuran-4-yl)phenyl]-[1,2,4]triazolo[3,4-a]isoquinoline;3-[4-(2,8-diethyldibenzofuran-4-yl)phenyl]-[1,2,4]triazolo[3,4-a]isoquinoline;3-[4-[2,8-di(propan-2-yl)dibenzofuran-4-yl]phenyl]-[1,2,4]triazolo[3,4-a]isoquinoline;3-[4-(2,8-dipropyldibenzofuran-4-yl)phenyl]-[1,2,4]triazolo[3,4-a]isoquinoline;3-[4-(2,6,8-trimethyldibenzofuran-4-yl)phenyl]-[1,2,4]triazolo[3,4-a]isoquinoline

C167H139N15O5 — CID 157129360

About 3-[4-(2,8-dibutyldibenzofuran-4-yl)phenyl]-[1,2,4]triazolo[3,4-a]isoquinoline;3-[4-(2,8-diethyldibenzofuran-4-yl)phenyl]-[1,2,4]triazolo[3,4-a]isoquinoline;3-[4-[2,8-di(propan-2-yl)dibenzofuran-4-yl]phenyl]-[1,2,4]triazolo[3,4-a]isoquinoline;3-[4-(2,8-dipropyldibenzofuran-4-yl)phenyl]-[1,2,4]triazolo[3,4-a]isoquinoline;3-[4-(2,6,8-trimethyldibenzofuran-4-yl)phenyl]-[1,2,4]triazolo[3,4-a]isoquinoline

3-[4-(2,8-dibutyldibenzofuran-4-yl)phenyl]-[1,2,4]triazolo[3,4-a]isoquinoline;3-[4-(2,8-diethyldibenzofuran-4-yl)phenyl]-[1,2,4]triazolo[3,4-a]isoquinoline;3-[4-[2,8-di(propan-2-yl)dibenzofuran-4-yl]phenyl]-[1,2,4]triazolo[3,4-a]isoquinoline;3-[4-(2,8-dipropyldibenzofuran-4-yl)phenyl]-[1,2,4]triazolo[3,4-a]isoquinoline;3-[4-(2,6,8-trimethyldibenzofuran-4-yl)phenyl]-[1,2,4]triazolo[3,4-a]isoquinoline (PubChem CID 157129360) has the molecular formula C167H139N15O5 and a molecular weight of 2436.05 g/mol. Its IUPAC name is 3-[4-(2,8-dibutyldibenzofuran-4-yl)phenyl]-[1,2,4]triazolo[3,4-a]isoquinoline;3-[4-(2,8-diethyldibenzofuran-4-yl)phenyl]-[1,2,4]triazolo[3,4-a]isoquinoline;3-[4-[2,8-di(propan-2-yl)dibenzofuran-4-yl]phenyl]-[1,2,4]triazolo[3,4-a]isoquinoline;3-[4-(2,8-dipropyldibenzofuran-4-yl)phenyl]-[1,2,4]triazolo[3,4-a]isoquinoline;3-[4-(2,6,8-trimethyldibenzofuran-4-yl)phenyl]-[1,2,4]triazolo[3,4-a]isoquinoline.

Molecular Properties

• Compound Name: 3-[4-(2,8-dibutyldibenzofuran-4-yl)phenyl]-[1,2,4]triazolo[3,4-a]isoquinoline;3-[4-(2,8-diethyldibenzofuran-4-yl)phenyl]-[1,2,4]triazolo[3,4-a]isoquinoline;3-[4-[2,8-di(propan-2-yl)dibenzofuran-4-yl]phenyl]-[1,2,4]triazolo[3,4-a]isoquinoline;3-[4-(2,8-dipropyldibenzofuran-4-yl)phenyl]-[1,2,4]triazolo[3,4-a]isoquinoline;3-[4-(2,6,8-trimethyldibenzofuran-4-yl)phenyl]-[1,2,4]triazolo[3,4-a]isoquinoline
• PubChem CID: 157129360
• Molecular Formula: C167H139N15O5
• Molecular Weight: 2436.05 g/mol
• Exact Mass: 2434.11
• IUPAC Name: 3-[4-(2,8-dibutyldibenzofuran-4-yl)phenyl]-[1,2,4]triazolo[3,4-a]isoquinoline;3-[4-(2,8-diethyldibenzofuran-4-yl)phenyl]-[1,2,4]triazolo[3,4-a]isoquinoline;3-[4-[2,8-di(propan-2-yl)dibenzofuran-4-yl]phenyl]-[1,2,4]triazolo[3,4-a]isoquinoline;3-[4-(2,8-dipropyldibenzofuran-4-yl)phenyl]-[1,2,4]triazolo[3,4-a]isoquinoline;3-[4-(2,6,8-trimethyldibenzofuran-4-yl)phenyl]-[1,2,4]triazolo[3,4-a]isoquinoline
• SMILES: CC(C)c1ccc2oc3c(-c4ccc(-c5nnc6c7ccccc7ccn56)cc4)cc(C(C)C)cc3c2c1.CCCCc1ccc2oc3c(-c4ccc(-c5nnc6c7ccccc7ccn56)cc4)cc(CCCC)cc3c2c1.CCCc1ccc2oc3c(-c4ccc(-c5nnc6c7ccccc7ccn56)cc4)cc(CCC)cc3c2c1.CCc1ccc2oc3c(-c4ccc(-c5nnc6c7ccccc7ccn56)cc4)cc(CC)cc3c2c1.Cc1cc(C)c2oc3c(-c4ccc(-c5nnc6c7ccccc7ccn56)cc4)cc(C)cc3c2c1
• InChI: InChI=1S/C36H33N3O.2C34H29N3O.C32H25N3O.C31H23N3O/c1-3-5-9-24-13-18-33-31(21-24)32-23-25(10-6-4-2)22-30(34(32)40-33)27-14-16-28(17-15-27)35-37-38-36-29-12-8-7-11-26(29)19-20-39(35)36;1-20(2)25-13-14-31-29(17-25)30-19-26(21(3)4)18-28(32(30)38-31)23-9-11-24(12-10-23)33-35-36-34-27-8-6-5-7-22(27)15-16-37(33)34;1-3-7-22-11-16-31-29(19-22)30-21-23(8-4-2)20-28(32(30)38-31)25-12-14-26(15-13-25)33-35-36-34-27-10-6-5-9-24(27)17-18-37(33)34;1-3-20-9-14-29-27(17-20)28-19-21(4-2)18-26(30(28)36-29)23-10-12-24(13-11-23)31-33-34-32-25-8-6-5-7-22(25)15-16-35(31)32;1-18-14-20(3)28-26(16-18)27-17-19(2)15-25(29(27)35-28)22-8-10-23(11-9-22)30-32-33-31-24-7-5-4-6-21(24)12-13-34(30)31/h7-8,11-23H,3-6,9-10H2,1-2H3;5-21H,1-4H3;5-6,9-21H,3-4,7-8H2,1-2H3;5-19H,3-4H2,1-2H3;4-17H,1-3H3
• InChIKey: AIWMQKSDAXRYLY-UHFFFAOYSA-N
• XLogP: 44.47
• TPSA: 216.65 Ų
• H-Bond Acceptors: 20
• Rotatable Bonds: 24
• Heavy Atoms: 187
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2436.05
LogP ≤ 5	44.47
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2,8-dibutyldibenzofuran-4-yl)phenyl]-[1,2,4]triazolo[3,4-a]isoquinoline;3-[4-(2,8-diethyldibenzofuran-4-yl)phenyl]-[1,2,4]triazolo[3,4-a]isoquinoline;3-[4-[2,8-di(propan-2-yl)dibenzofuran-4-yl]phenyl]-[1,2,4]triazolo[3,4-a]isoquinoline;3-[4-(2,8-dipropyldibenzofuran-4-yl)phenyl]-[1,2,4]triazolo[3,4-a]isoquinoline;3-[4-(2,6,8-trimethyldibenzofuran-4-yl)phenyl]-[1,2,4]triazolo[3,4-a]isoquinoline?

The IUPAC name of 3-[4-(2,8-dibutyldibenzofuran-4-yl)phenyl]-[1,2,4]triazolo[3,4-a]isoquinoline;3-[4-(2,8-diethyldibenzofuran-4-yl)phenyl]-[1,2,4]triazolo[3,4-a]isoquinoline;3-[4-[2,8-di(propan-2-yl)dibenzofuran-4-yl]phenyl]-[1,2,4]triazolo[3,4-a]isoquinoline;3-[4-(2,8-dipropyldibenzofuran-4-yl)phenyl]-[1,2,4]triazolo[3,4-a]isoquinoline;3-[4-(2,6,8-trimethyldibenzofuran-4-yl)phenyl]-[1,2,4]triazolo[3,4-a]isoquinoline (CID 157129360) is 3-[4-(2,8-dibutyldibenzofuran-4-yl)phenyl]-[1,2,4]triazolo[3,4-a]isoquinoline;3-[4-(2,8-diethyldibenzofuran-4-yl)phenyl]-[1,2,4]triazolo[3,4-a]isoquinoline;3-[4-[2,8-di(propan-2-yl)dibenzofuran-4-yl]phenyl]-[1,2,4]triazolo[3,4-a]isoquinoline;3-[4-(2,8-dipropyldibenzofuran-4-yl)phenyl]-[1,2,4]triazolo[3,4-a]isoquinoline;3-[4-(2,6,8-trimethyldibenzofuran-4-yl)phenyl]-[1,2,4]triazolo[3,4-a]isoquinoline.

What is the SMILES notation for 3-[4-(2,8-dibutyldibenzofuran-4-yl)phenyl]-[1,2,4]triazolo[3,4-a]isoquinoline;3-[4-(2,8-diethyldibenzofuran-4-yl)phenyl]-[1,2,4]triazolo[3,4-a]isoquinoline;3-[4-[2,8-di(propan-2-yl)dibenzofuran-4-yl]phenyl]-[1,2,4]triazolo[3,4-a]isoquinoline;3-[4-(2,8-dipropyldibenzofuran-4-yl)phenyl]-[1,2,4]triazolo[3,4-a]isoquinoline;3-[4-(2,6,8-trimethyldibenzofuran-4-yl)phenyl]-[1,2,4]triazolo[3,4-a]isoquinoline?

The canonical SMILES for 3-[4-(2,8-dibutyldibenzofuran-4-yl)phenyl]-[1,2,4]triazolo[3,4-a]isoquinoline;3-[4-(2,8-diethyldibenzofuran-4-yl)phenyl]-[1,2,4]triazolo[3,4-a]isoquinoline;3-[4-[2,8-di(propan-2-yl)dibenzofuran-4-yl]phenyl]-[1,2,4]triazolo[3,4-a]isoquinoline;3-[4-(2,8-dipropyldibenzofuran-4-yl)phenyl]-[1,2,4]triazolo[3,4-a]isoquinoline;3-[4-(2,6,8-trimethyldibenzofuran-4-yl)phenyl]-[1,2,4]triazolo[3,4-a]isoquinoline is CC(C)c1ccc2oc3c(-c4ccc(-c5nnc6c7ccccc7ccn56)cc4)cc(C(C)C)cc3c2c1.CCCCc1ccc2oc3c(-c4ccc(-c5nnc6c7ccccc7ccn56)cc4)cc(CCCC)cc3c2c1.CCCc1ccc2oc3c(-c4ccc(-c5nnc6c7ccccc7ccn56)cc4)cc(CCC)cc3c2c1.CCc1ccc2oc3c(-c4ccc(-c5nnc6c7ccccc7ccn56)cc4)cc(CC)cc3c2c1.Cc1cc(C)c2oc3c(-c4ccc(-c5nnc6c7ccccc7ccn56)cc4)cc(C)cc3c2c1.

What is the InChIKey of 3-[4-(2,8-dibutyldibenzofuran-4-yl)phenyl]-[1,2,4]triazolo[3,4-a]isoquinoline;3-[4-(2,8-diethyldibenzofuran-4-yl)phenyl]-[1,2,4]triazolo[3,4-a]isoquinoline;3-[4-[2,8-di(propan-2-yl)dibenzofuran-4-yl]phenyl]-[1,2,4]triazolo[3,4-a]isoquinoline;3-[4-(2,8-dipropyldibenzofuran-4-yl)phenyl]-[1,2,4]triazolo[3,4-a]isoquinoline;3-[4-(2,6,8-trimethyldibenzofuran-4-yl)phenyl]-[1,2,4]triazolo[3,4-a]isoquinoline?

The InChIKey is AIWMQKSDAXRYLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H33N3O.2C34H29N3O.C32H25N3O.C31H23N3O/c1-3-5-9-24-13-18-33-31(21-24)32-23-25(10-6-4-2)22-30(34(32)40-33)27-14-16-28(17-15-27)35-37-38-36-29-12-8-7-11-26(29)19-20-39(35)36;1-20(2)25-13-14-31-29(17-25)30-19-26(21(3)4)18-28(32(30)38-31)23-9-11-24(12-10-23)33-35-36-34-27-8-6-5-7-22(27)15-16-37(33)34;1-3-7-22-11-16-31-29(19-22)30-21-23(8-4-2)20-28(32(30)38-31)25-12-14-26(15-13-25)33-35-36-34-27-10-6-5-9-24(27)17-18-37(33)34;1-3-20-9-14-29-27(17-20)28-19-21(4-2)18-26(30(28)36-29)23-10-12-24(13-11-23)31-33-34-32-25-8-6-5-7-22(25)15-16-35(31)32;1-18-14-20(3)28-26(16-18)27-17-19(2)15-25(29(27)35-28)22-8-10-23(11-9-22)30-32-33-31-24-7-5-4-6-21(24)12-13-34(30)31/h7-8,11-23H,3-6,9-10H2,1-2H3;5-21H,1-4H3;5-6,9-21H,3-4,7-8H2,1-2H3;5-19H,3-4H2,1-2H3;4-17H,1-3H3.

What are the key properties of 3-[4-(2,8-dibutyldibenzofuran-4-yl)phenyl]-[1,2,4]triazolo[3,4-a]isoquinoline;3-[4-(2,8-diethyldibenzofuran-4-yl)phenyl]-[1,2,4]triazolo[3,4-a]isoquinoline;3-[4-[2,8-di(propan-2-yl)dibenzofuran-4-yl]phenyl]-[1,2,4]triazolo[3,4-a]isoquinoline;3-[4-(2,8-dipropyldibenzofuran-4-yl)phenyl]-[1,2,4]triazolo[3,4-a]isoquinoline;3-[4-(2,6,8-trimethyldibenzofuran-4-yl)phenyl]-[1,2,4]triazolo[3,4-a]isoquinoline?

3-[4-(2,8-dibutyldibenzofuran-4-yl)phenyl]-[1,2,4]triazolo[3,4-a]isoquinoline;3-[4-(2,8-diethyldibenzofuran-4-yl)phenyl]-[1,2,4]triazolo[3,4-a]isoquinoline;3-[4-[2,8-di(propan-2-yl)dibenzofuran-4-yl]phenyl]-[1,2,4]triazolo[3,4-a]isoquinoline;3-[4-(2,8-dipropyldibenzofuran-4-yl)phenyl]-[1,2,4]triazolo[3,4-a]isoquinoline;3-[4-(2,6,8-trimethyldibenzofuran-4-yl)phenyl]-[1,2,4]triazolo[3,4-a]isoquinoline has a molecular weight of 2436.05 g/mol, XLogP of 44.47, 24 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-(2,8-dibutyldibenzofuran-4-yl)phenyl]-[1,2,4]triazolo[3,4-a]isoquinoline;3-[4-(2,8-diethyldibenzofuran-4-yl)phenyl]-[1,2,4]triazolo[3,4-a]isoquinoline;3-[4-[2,8-di(propan-2-yl)dibenzofuran-4-yl]phenyl]-[1,2,4]triazolo[3,4-a]isoquinoline;3-[4-(2,8-dipropyldibenzofuran-4-yl)phenyl]-[1,2,4]triazolo[3,4-a]isoquinoline;3-[4-(2,6,8-trimethyldibenzofuran-4-yl)phenyl]-[1,2,4]triazolo[3,4-a]isoquinoline is sourced from PubChem (CID 157129360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).