17-dibenzofuran-2-yl-8,17-diazahexacyclo[16.8.0.02,7.08,16.09,14.020,25]hexacosa-1(26),2,4,6,9,11,13,15,18,20,22,24-dodecaene;14-dibenzofuran-2-yl-1,14-diazapentacyclo[13.7.0.02,7.08,13.017,22]docosa-2,4,6,8,10,12,15,17,19,21-decaene;11-(3-phenylphenyl)-2,11-diazahexacyclo[16.8.0.02,10.03,8.012,17.020,25]hexacosa-1(26),3,5,7,9,12,14,16,18,20,22,24-dodecaene;14-(3-phenylphenyl)-1,14-diazahexacyclo[13.11.0.02,7.08,13.017,26.020,25]hexacosa-2,4,6,8,10,12,15,17(26),18,20,22,24-dodecaene

C140H90N8O2 — CID 161186597

About 17-dibenzofuran-2-yl-8,17-diazahexacyclo[16.8.0.02,7.08,16.09,14.020,25]hexacosa-1(26),2,4,6,9,11,13,15,18,20,22,24-dodecaene;14-dibenzofuran-2-yl-1,14-diazapentacyclo[13.7.0.02,7.08,13.017,22]docosa-2,4,6,8,10,12,15,17,19,21-decaene;11-(3-phenylphenyl)-2,11-diazahexacyclo[16.8.0.02,10.03,8.012,17.020,25]hexacosa-1(26),3,5,7,9,12,14,16,18,20,22,24-dodecaene;14-(3-phenylphenyl)-1,14-diazahexacyclo[13.11.0.02,7.08,13.017,26.020,25]hexacosa-2,4,6,8,10,12,15,17(26),18,20,22,24-dodecaene

17-dibenzofuran-2-yl-8,17-diazahexacyclo[16.8.0.02,7.08,16.09,14.020,25]hexacosa-1(26),2,4,6,9,11,13,15,18,20,22,24-dodecaene;14-dibenzofuran-2-yl-1,14-diazapentacyclo[13.7.0.02,7.08,13.017,22]docosa-2,4,6,8,10,12,15,17,19,21-decaene;11-(3-phenylphenyl)-2,11-diazahexacyclo[16.8.0.02,10.03,8.012,17.020,25]hexacosa-1(26),3,5,7,9,12,14,16,18,20,22,24-dodecaene;14-(3-phenylphenyl)-1,14-diazahexacyclo[13.11.0.02,7.08,13.017,26.020,25]hexacosa-2,4,6,8,10,12,15,17(26),18,20,22,24-dodecaene (PubChem CID 161186597) has the molecular formula C140H90N8O2 and a molecular weight of 1916.31 g/mol. Its IUPAC name is 17-dibenzofuran-2-yl-8,17-diazahexacyclo[16.8.0.02,7.08,16.09,14.020,25]hexacosa-1(26),2,4,6,9,11,13,15,18,20,22,24-dodecaene;14-dibenzofuran-2-yl-1,14-diazapentacyclo[13.7.0.02,7.08,13.017,22]docosa-2,4,6,8,10,12,15,17,19,21-decaene;11-(3-phenylphenyl)-2,11-diazahexacyclo[16.8.0.02,10.03,8.012,17.020,25]hexacosa-1(26),3,5,7,9,12,14,16,18,20,22,24-dodecaene;14-(3-phenylphenyl)-1,14-diazahexacyclo[13.11.0.02,7.08,13.017,26.020,25]hexacosa-2,4,6,8,10,12,15,17(26),18,20,22,24-dodecaene.

Molecular Properties

• Compound Name: 17-dibenzofuran-2-yl-8,17-diazahexacyclo[16.8.0.02,7.08,16.09,14.020,25]hexacosa-1(26),2,4,6,9,11,13,15,18,20,22,24-dodecaene;14-dibenzofuran-2-yl-1,14-diazapentacyclo[13.7.0.02,7.08,13.017,22]docosa-2,4,6,8,10,12,15,17,19,21-decaene;11-(3-phenylphenyl)-2,11-diazahexacyclo[16.8.0.02,10.03,8.012,17.020,25]hexacosa-1(26),3,5,7,9,12,14,16,18,20,22,24-dodecaene;14-(3-phenylphenyl)-1,14-diazahexacyclo[13.11.0.02,7.08,13.017,26.020,25]hexacosa-2,4,6,8,10,12,15,17(26),18,20,22,24-dodecaene
• PubChem CID: 161186597
• Molecular Formula: C140H90N8O2
• Molecular Weight: 1916.31 g/mol
• Exact Mass: 1914.72
• IUPAC Name: 17-dibenzofuran-2-yl-8,17-diazahexacyclo[16.8.0.02,7.08,16.09,14.020,25]hexacosa-1(26),2,4,6,9,11,13,15,18,20,22,24-dodecaene;14-dibenzofuran-2-yl-1,14-diazapentacyclo[13.7.0.02,7.08,13.017,22]docosa-2,4,6,8,10,12,15,17,19,21-decaene;11-(3-phenylphenyl)-2,11-diazahexacyclo[16.8.0.02,10.03,8.012,17.020,25]hexacosa-1(26),3,5,7,9,12,14,16,18,20,22,24-dodecaene;14-(3-phenylphenyl)-1,14-diazahexacyclo[13.11.0.02,7.08,13.017,26.020,25]hexacosa-2,4,6,8,10,12,15,17(26),18,20,22,24-dodecaene
• SMILES: c1ccc(-c2cccc(N3c4ccccc4-c4cc5ccccc5cc4-n4c3cc3ccccc34)c2)cc1.c1ccc(-c2cccc(N3c4ccccc4-c4ccccc4-n4c3cc3ccc5ccccc5c34)c2)cc1.c1ccc2c(c1)-c1cc3ccccc3cc1N(c1ccc3oc4ccccc4c3c1)c1cc3ccccc3n1-2.c1ccc2c(c1)-c1ccccc1-n1c(cc3ccccc31)N2c1ccc2oc3ccccc3c2c1
• InChI: InChI=1S/C36H22N2O.2C36H24N2.C32H20N2O/c1-2-10-24-20-33-29(19-23(24)9-1)27-12-4-7-15-32(27)38-31-14-6-3-11-25(31)21-36(38)37(33)26-17-18-35-30(22-26)28-13-5-8-16-34(28)39-35;1-2-11-25(12-3-1)27-14-10-15-29(23-27)37-33-19-8-6-17-31(33)32-18-7-9-20-34(32)38-35(37)24-28-22-21-26-13-4-5-16-30(26)36(28)38;1-2-11-25(12-3-1)26-16-10-17-30(21-26)37-34-20-9-7-18-31(34)32-22-27-13-4-5-14-28(27)23-35(32)38-33-19-8-6-15-29(33)24-36(37)38;1-5-13-27-21(9-1)19-32-33(22-17-18-31-26(20-22)25-12-4-8-16-30(25)35-31)28-14-6-2-10-23(28)24-11-3-7-15-29(24)34(27)32/h1-22H;2*1-24H;1-20H
• InChIKey: UTDVIXSFWZTRIQ-UHFFFAOYSA-N
• XLogP: 38.92
• TPSA: 58.96 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 150
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1916.31
LogP ≤ 5	38.92
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 17-dibenzofuran-2-yl-8,17-diazahexacyclo[16.8.0.02,7.08,16.09,14.020,25]hexacosa-1(26),2,4,6,9,11,13,15,18,20,22,24-dodecaene;14-dibenzofuran-2-yl-1,14-diazapentacyclo[13.7.0.02,7.08,13.017,22]docosa-2,4,6,8,10,12,15,17,19,21-decaene;11-(3-phenylphenyl)-2,11-diazahexacyclo[16.8.0.02,10.03,8.012,17.020,25]hexacosa-1(26),3,5,7,9,12,14,16,18,20,22,24-dodecaene;14-(3-phenylphenyl)-1,14-diazahexacyclo[13.11.0.02,7.08,13.017,26.020,25]hexacosa-2,4,6,8,10,12,15,17(26),18,20,22,24-dodecaene?

The IUPAC name of 17-dibenzofuran-2-yl-8,17-diazahexacyclo[16.8.0.02,7.08,16.09,14.020,25]hexacosa-1(26),2,4,6,9,11,13,15,18,20,22,24-dodecaene;14-dibenzofuran-2-yl-1,14-diazapentacyclo[13.7.0.02,7.08,13.017,22]docosa-2,4,6,8,10,12,15,17,19,21-decaene;11-(3-phenylphenyl)-2,11-diazahexacyclo[16.8.0.02,10.03,8.012,17.020,25]hexacosa-1(26),3,5,7,9,12,14,16,18,20,22,24-dodecaene;14-(3-phenylphenyl)-1,14-diazahexacyclo[13.11.0.02,7.08,13.017,26.020,25]hexacosa-2,4,6,8,10,12,15,17(26),18,20,22,24-dodecaene (CID 161186597) is 17-dibenzofuran-2-yl-8,17-diazahexacyclo[16.8.0.02,7.08,16.09,14.020,25]hexacosa-1(26),2,4,6,9,11,13,15,18,20,22,24-dodecaene;14-dibenzofuran-2-yl-1,14-diazapentacyclo[13.7.0.02,7.08,13.017,22]docosa-2,4,6,8,10,12,15,17,19,21-decaene;11-(3-phenylphenyl)-2,11-diazahexacyclo[16.8.0.02,10.03,8.012,17.020,25]hexacosa-1(26),3,5,7,9,12,14,16,18,20,22,24-dodecaene;14-(3-phenylphenyl)-1,14-diazahexacyclo[13.11.0.02,7.08,13.017,26.020,25]hexacosa-2,4,6,8,10,12,15,17(26),18,20,22,24-dodecaene.

What is the SMILES notation for 17-dibenzofuran-2-yl-8,17-diazahexacyclo[16.8.0.02,7.08,16.09,14.020,25]hexacosa-1(26),2,4,6,9,11,13,15,18,20,22,24-dodecaene;14-dibenzofuran-2-yl-1,14-diazapentacyclo[13.7.0.02,7.08,13.017,22]docosa-2,4,6,8,10,12,15,17,19,21-decaene;11-(3-phenylphenyl)-2,11-diazahexacyclo[16.8.0.02,10.03,8.012,17.020,25]hexacosa-1(26),3,5,7,9,12,14,16,18,20,22,24-dodecaene;14-(3-phenylphenyl)-1,14-diazahexacyclo[13.11.0.02,7.08,13.017,26.020,25]hexacosa-2,4,6,8,10,12,15,17(26),18,20,22,24-dodecaene?

The canonical SMILES for 17-dibenzofuran-2-yl-8,17-diazahexacyclo[16.8.0.02,7.08,16.09,14.020,25]hexacosa-1(26),2,4,6,9,11,13,15,18,20,22,24-dodecaene;14-dibenzofuran-2-yl-1,14-diazapentacyclo[13.7.0.02,7.08,13.017,22]docosa-2,4,6,8,10,12,15,17,19,21-decaene;11-(3-phenylphenyl)-2,11-diazahexacyclo[16.8.0.02,10.03,8.012,17.020,25]hexacosa-1(26),3,5,7,9,12,14,16,18,20,22,24-dodecaene;14-(3-phenylphenyl)-1,14-diazahexacyclo[13.11.0.02,7.08,13.017,26.020,25]hexacosa-2,4,6,8,10,12,15,17(26),18,20,22,24-dodecaene is c1ccc(-c2cccc(N3c4ccccc4-c4cc5ccccc5cc4-n4c3cc3ccccc34)c2)cc1.c1ccc(-c2cccc(N3c4ccccc4-c4ccccc4-n4c3cc3ccc5ccccc5c34)c2)cc1.c1ccc2c(c1)-c1cc3ccccc3cc1N(c1ccc3oc4ccccc4c3c1)c1cc3ccccc3n1-2.c1ccc2c(c1)-c1ccccc1-n1c(cc3ccccc31)N2c1ccc2oc3ccccc3c2c1.

What is the InChIKey of 17-dibenzofuran-2-yl-8,17-diazahexacyclo[16.8.0.02,7.08,16.09,14.020,25]hexacosa-1(26),2,4,6,9,11,13,15,18,20,22,24-dodecaene;14-dibenzofuran-2-yl-1,14-diazapentacyclo[13.7.0.02,7.08,13.017,22]docosa-2,4,6,8,10,12,15,17,19,21-decaene;11-(3-phenylphenyl)-2,11-diazahexacyclo[16.8.0.02,10.03,8.012,17.020,25]hexacosa-1(26),3,5,7,9,12,14,16,18,20,22,24-dodecaene;14-(3-phenylphenyl)-1,14-diazahexacyclo[13.11.0.02,7.08,13.017,26.020,25]hexacosa-2,4,6,8,10,12,15,17(26),18,20,22,24-dodecaene?

The InChIKey is UTDVIXSFWZTRIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H22N2O.2C36H24N2.C32H20N2O/c1-2-10-24-20-33-29(19-23(24)9-1)27-12-4-7-15-32(27)38-31-14-6-3-11-25(31)21-36(38)37(33)26-17-18-35-30(22-26)28-13-5-8-16-34(28)39-35;1-2-11-25(12-3-1)27-14-10-15-29(23-27)37-33-19-8-6-17-31(33)32-18-7-9-20-34(32)38-35(37)24-28-22-21-26-13-4-5-16-30(26)36(28)38;1-2-11-25(12-3-1)26-16-10-17-30(21-26)37-34-20-9-7-18-31(34)32-22-27-13-4-5-14-28(27)23-35(32)38-33-19-8-6-15-29(33)24-36(37)38;1-5-13-27-21(9-1)19-32-33(22-17-18-31-26(20-22)25-12-4-8-16-30(25)35-31)28-14-6-2-10-23(28)24-11-3-7-15-29(24)34(27)32/h1-22H;2*1-24H;1-20H.

What are the key properties of 17-dibenzofuran-2-yl-8,17-diazahexacyclo[16.8.0.02,7.08,16.09,14.020,25]hexacosa-1(26),2,4,6,9,11,13,15,18,20,22,24-dodecaene;14-dibenzofuran-2-yl-1,14-diazapentacyclo[13.7.0.02,7.08,13.017,22]docosa-2,4,6,8,10,12,15,17,19,21-decaene;11-(3-phenylphenyl)-2,11-diazahexacyclo[16.8.0.02,10.03,8.012,17.020,25]hexacosa-1(26),3,5,7,9,12,14,16,18,20,22,24-dodecaene;14-(3-phenylphenyl)-1,14-diazahexacyclo[13.11.0.02,7.08,13.017,26.020,25]hexacosa-2,4,6,8,10,12,15,17(26),18,20,22,24-dodecaene?

17-dibenzofuran-2-yl-8,17-diazahexacyclo[16.8.0.02,7.08,16.09,14.020,25]hexacosa-1(26),2,4,6,9,11,13,15,18,20,22,24-dodecaene;14-dibenzofuran-2-yl-1,14-diazapentacyclo[13.7.0.02,7.08,13.017,22]docosa-2,4,6,8,10,12,15,17,19,21-decaene;11-(3-phenylphenyl)-2,11-diazahexacyclo[16.8.0.02,10.03,8.012,17.020,25]hexacosa-1(26),3,5,7,9,12,14,16,18,20,22,24-dodecaene;14-(3-phenylphenyl)-1,14-diazahexacyclo[13.11.0.02,7.08,13.017,26.020,25]hexacosa-2,4,6,8,10,12,15,17(26),18,20,22,24-dodecaene has a molecular weight of 1916.31 g/mol, XLogP of 38.92, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 17-dibenzofuran-2-yl-8,17-diazahexacyclo[16.8.0.02,7.08,16.09,14.020,25]hexacosa-1(26),2,4,6,9,11,13,15,18,20,22,24-dodecaene;14-dibenzofuran-2-yl-1,14-diazapentacyclo[13.7.0.02,7.08,13.017,22]docosa-2,4,6,8,10,12,15,17,19,21-decaene;11-(3-phenylphenyl)-2,11-diazahexacyclo[16.8.0.02,10.03,8.012,17.020,25]hexacosa-1(26),3,5,7,9,12,14,16,18,20,22,24-dodecaene;14-(3-phenylphenyl)-1,14-diazahexacyclo[13.11.0.02,7.08,13.017,26.020,25]hexacosa-2,4,6,8,10,12,15,17(26),18,20,22,24-dodecaene is sourced from PubChem (CID 161186597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).