24-dibenzofuran-1-yl-3-phenyl-3,12,24-triazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1,4,6,8,10,12,14,16,18,20,22-undecaene;24-dibenzofuran-2-yl-3-phenyl-3,12,24-triazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1,4,6,8,10,12,14,16,18,20,22-undecaene;24-dibenzothiophen-1-yl-3-phenyl-3,12,24-triazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1,4,6,8,10,12,14,16,18,20,22-undecaene;24-dibenzothiophen-2-yl-3-phenyl-3,12,24-triazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1,4,6,8,10,12,14,16,18,20,22-undecaene

C156H92N12O2S2 — CID 159761809

About 24-dibenzofuran-1-yl-3-phenyl-3,12,24-triazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1,4,6,8,10,12,14,16,18,20,22-undecaene;24-dibenzofuran-2-yl-3-phenyl-3,12,24-triazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1,4,6,8,10,12,14,16,18,20,22-undecaene;24-dibenzothiophen-1-yl-3-phenyl-3,12,24-triazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1,4,6,8,10,12,14,16,18,20,22-undecaene;24-dibenzothiophen-2-yl-3-phenyl-3,12,24-triazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1,4,6,8,10,12,14,16,18,20,22-undecaene

24-dibenzofuran-1-yl-3-phenyl-3,12,24-triazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1,4,6,8,10,12,14,16,18,20,22-undecaene;24-dibenzofuran-2-yl-3-phenyl-3,12,24-triazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1,4,6,8,10,12,14,16,18,20,22-undecaene;24-dibenzothiophen-1-yl-3-phenyl-3,12,24-triazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1,4,6,8,10,12,14,16,18,20,22-undecaene;24-dibenzothiophen-2-yl-3-phenyl-3,12,24-triazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1,4,6,8,10,12,14,16,18,20,22-undecaene (PubChem CID 159761809) has the molecular formula C156H92N12O2S2 and a molecular weight of 2230.67 g/mol. Its IUPAC name is 24-dibenzofuran-1-yl-3-phenyl-3,12,24-triazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1,4,6,8,10,12,14,16,18,20,22-undecaene;24-dibenzofuran-2-yl-3-phenyl-3,12,24-triazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1,4,6,8,10,12,14,16,18,20,22-undecaene;24-dibenzothiophen-1-yl-3-phenyl-3,12,24-triazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1,4,6,8,10,12,14,16,18,20,22-undecaene;24-dibenzothiophen-2-yl-3-phenyl-3,12,24-triazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1,4,6,8,10,12,14,16,18,20,22-undecaene.

Molecular Properties

• Compound Name: 24-dibenzofuran-1-yl-3-phenyl-3,12,24-triazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1,4,6,8,10,12,14,16,18,20,22-undecaene;24-dibenzofuran-2-yl-3-phenyl-3,12,24-triazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1,4,6,8,10,12,14,16,18,20,22-undecaene;24-dibenzothiophen-1-yl-3-phenyl-3,12,24-triazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1,4,6,8,10,12,14,16,18,20,22-undecaene;24-dibenzothiophen-2-yl-3-phenyl-3,12,24-triazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1,4,6,8,10,12,14,16,18,20,22-undecaene
• PubChem CID: 159761809
• Molecular Formula: C156H92N12O2S2
• Molecular Weight: 2230.67 g/mol
• Exact Mass: 2228.69
• IUPAC Name: 24-dibenzofuran-1-yl-3-phenyl-3,12,24-triazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1,4,6,8,10,12,14,16,18,20,22-undecaene;24-dibenzofuran-2-yl-3-phenyl-3,12,24-triazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1,4,6,8,10,12,14,16,18,20,22-undecaene;24-dibenzothiophen-1-yl-3-phenyl-3,12,24-triazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1,4,6,8,10,12,14,16,18,20,22-undecaene;24-dibenzothiophen-2-yl-3-phenyl-3,12,24-triazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1,4,6,8,10,12,14,16,18,20,22-undecaene
• SMILES: c1ccc(-n2c3ccccc3c3c4ncccc4c4c5ccccc5n(-c5ccc6oc7ccccc7c6c5)c4c32)cc1.c1ccc(-n2c3ccccc3c3c4ncccc4c4c5ccccc5n(-c5ccc6sc7ccccc7c6c5)c4c32)cc1.c1ccc(-n2c3ccccc3c3c4ncccc4c4c5ccccc5n(-c5cccc6oc7ccccc7c56)c4c32)cc1.c1ccc(-n2c3ccccc3c3c4ncccc4c4c5ccccc5n(-c5cccc6sc7ccccc7c56)c4c32)cc1
• InChI: InChI=1S/2C39H23N3O.2C39H23N3S/c1-2-12-24(13-3-1)41-29-18-7-5-15-26(29)36-37-28(17-11-23-40-37)34-25-14-4-8-19-30(25)42(38(34)39(36)41)31-20-10-22-33-35(31)27-16-6-9-21-32(27)43-33;1-2-11-24(12-3-1)41-32-18-8-5-15-28(32)36-37-29(16-10-22-40-37)35-27-14-4-7-17-31(27)42(38(35)39(36)41)25-20-21-34-30(23-25)26-13-6-9-19-33(26)43-34;1-2-12-24(13-3-1)41-29-18-7-5-15-26(29)36-37-28(17-11-23-40-37)34-25-14-4-8-19-30(25)42(38(34)39(36)41)31-20-10-22-33-35(31)27-16-6-9-21-32(27)43-33;1-2-11-24(12-3-1)41-32-18-8-5-15-28(32)36-37-29(16-10-22-40-37)35-27-14-4-7-17-31(27)42(38(35)39(36)41)25-20-21-34-30(23-25)26-13-6-9-19-33(26)43-34/h4*1-23H
• InChIKey: NEZIRNNANVFPIR-UHFFFAOYSA-N
• XLogP: 42.25
• TPSA: 117.28 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 8
• Heavy Atoms: 172
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2230.67
LogP ≤ 5	42.25
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of 24-dibenzofuran-1-yl-3-phenyl-3,12,24-triazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1,4,6,8,10,12,14,16,18,20,22-undecaene;24-dibenzofuran-2-yl-3-phenyl-3,12,24-triazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1,4,6,8,10,12,14,16,18,20,22-undecaene;24-dibenzothiophen-1-yl-3-phenyl-3,12,24-triazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1,4,6,8,10,12,14,16,18,20,22-undecaene;24-dibenzothiophen-2-yl-3-phenyl-3,12,24-triazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1,4,6,8,10,12,14,16,18,20,22-undecaene?

The IUPAC name of 24-dibenzofuran-1-yl-3-phenyl-3,12,24-triazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1,4,6,8,10,12,14,16,18,20,22-undecaene;24-dibenzofuran-2-yl-3-phenyl-3,12,24-triazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1,4,6,8,10,12,14,16,18,20,22-undecaene;24-dibenzothiophen-1-yl-3-phenyl-3,12,24-triazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1,4,6,8,10,12,14,16,18,20,22-undecaene;24-dibenzothiophen-2-yl-3-phenyl-3,12,24-triazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1,4,6,8,10,12,14,16,18,20,22-undecaene (CID 159761809) is 24-dibenzofuran-1-yl-3-phenyl-3,12,24-triazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1,4,6,8,10,12,14,16,18,20,22-undecaene;24-dibenzofuran-2-yl-3-phenyl-3,12,24-triazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1,4,6,8,10,12,14,16,18,20,22-undecaene;24-dibenzothiophen-1-yl-3-phenyl-3,12,24-triazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1,4,6,8,10,12,14,16,18,20,22-undecaene;24-dibenzothiophen-2-yl-3-phenyl-3,12,24-triazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1,4,6,8,10,12,14,16,18,20,22-undecaene.

What is the SMILES notation for 24-dibenzofuran-1-yl-3-phenyl-3,12,24-triazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1,4,6,8,10,12,14,16,18,20,22-undecaene;24-dibenzofuran-2-yl-3-phenyl-3,12,24-triazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1,4,6,8,10,12,14,16,18,20,22-undecaene;24-dibenzothiophen-1-yl-3-phenyl-3,12,24-triazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1,4,6,8,10,12,14,16,18,20,22-undecaene;24-dibenzothiophen-2-yl-3-phenyl-3,12,24-triazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1,4,6,8,10,12,14,16,18,20,22-undecaene?

The canonical SMILES for 24-dibenzofuran-1-yl-3-phenyl-3,12,24-triazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1,4,6,8,10,12,14,16,18,20,22-undecaene;24-dibenzofuran-2-yl-3-phenyl-3,12,24-triazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1,4,6,8,10,12,14,16,18,20,22-undecaene;24-dibenzothiophen-1-yl-3-phenyl-3,12,24-triazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1,4,6,8,10,12,14,16,18,20,22-undecaene;24-dibenzothiophen-2-yl-3-phenyl-3,12,24-triazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1,4,6,8,10,12,14,16,18,20,22-undecaene is c1ccc(-n2c3ccccc3c3c4ncccc4c4c5ccccc5n(-c5ccc6oc7ccccc7c6c5)c4c32)cc1.c1ccc(-n2c3ccccc3c3c4ncccc4c4c5ccccc5n(-c5ccc6sc7ccccc7c6c5)c4c32)cc1.c1ccc(-n2c3ccccc3c3c4ncccc4c4c5ccccc5n(-c5cccc6oc7ccccc7c56)c4c32)cc1.c1ccc(-n2c3ccccc3c3c4ncccc4c4c5ccccc5n(-c5cccc6sc7ccccc7c56)c4c32)cc1.

What is the InChIKey of 24-dibenzofuran-1-yl-3-phenyl-3,12,24-triazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1,4,6,8,10,12,14,16,18,20,22-undecaene;24-dibenzofuran-2-yl-3-phenyl-3,12,24-triazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1,4,6,8,10,12,14,16,18,20,22-undecaene;24-dibenzothiophen-1-yl-3-phenyl-3,12,24-triazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1,4,6,8,10,12,14,16,18,20,22-undecaene;24-dibenzothiophen-2-yl-3-phenyl-3,12,24-triazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1,4,6,8,10,12,14,16,18,20,22-undecaene?

The InChIKey is NEZIRNNANVFPIR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C39H23N3O.2C39H23N3S/c1-2-12-24(13-3-1)41-29-18-7-5-15-26(29)36-37-28(17-11-23-40-37)34-25-14-4-8-19-30(25)42(38(34)39(36)41)31-20-10-22-33-35(31)27-16-6-9-21-32(27)43-33;1-2-11-24(12-3-1)41-32-18-8-5-15-28(32)36-37-29(16-10-22-40-37)35-27-14-4-7-17-31(27)42(38(35)39(36)41)25-20-21-34-30(23-25)26-13-6-9-19-33(26)43-34;1-2-12-24(13-3-1)41-29-18-7-5-15-26(29)36-37-28(17-11-23-40-37)34-25-14-4-8-19-30(25)42(38(34)39(36)41)31-20-10-22-33-35(31)27-16-6-9-21-32(27)43-33;1-2-11-24(12-3-1)41-32-18-8-5-15-28(32)36-37-29(16-10-22-40-37)35-27-14-4-7-17-31(27)42(38(35)39(36)41)25-20-21-34-30(23-25)26-13-6-9-19-33(26)43-34/h4*1-23H.

What are the key properties of 24-dibenzofuran-1-yl-3-phenyl-3,12,24-triazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1,4,6,8,10,12,14,16,18,20,22-undecaene;24-dibenzofuran-2-yl-3-phenyl-3,12,24-triazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1,4,6,8,10,12,14,16,18,20,22-undecaene;24-dibenzothiophen-1-yl-3-phenyl-3,12,24-triazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1,4,6,8,10,12,14,16,18,20,22-undecaene;24-dibenzothiophen-2-yl-3-phenyl-3,12,24-triazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1,4,6,8,10,12,14,16,18,20,22-undecaene?

24-dibenzofuran-1-yl-3-phenyl-3,12,24-triazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1,4,6,8,10,12,14,16,18,20,22-undecaene;24-dibenzofuran-2-yl-3-phenyl-3,12,24-triazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1,4,6,8,10,12,14,16,18,20,22-undecaene;24-dibenzothiophen-1-yl-3-phenyl-3,12,24-triazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1,4,6,8,10,12,14,16,18,20,22-undecaene;24-dibenzothiophen-2-yl-3-phenyl-3,12,24-triazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1,4,6,8,10,12,14,16,18,20,22-undecaene has a molecular weight of 2230.67 g/mol, XLogP of 42.25, 8 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 24-dibenzofuran-1-yl-3-phenyl-3,12,24-triazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1,4,6,8,10,12,14,16,18,20,22-undecaene;24-dibenzofuran-2-yl-3-phenyl-3,12,24-triazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1,4,6,8,10,12,14,16,18,20,22-undecaene;24-dibenzothiophen-1-yl-3-phenyl-3,12,24-triazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1,4,6,8,10,12,14,16,18,20,22-undecaene;24-dibenzothiophen-2-yl-3-phenyl-3,12,24-triazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1,4,6,8,10,12,14,16,18,20,22-undecaene is sourced from PubChem (CID 159761809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).