17-dibenzofuran-4-yl-23-azahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(20),2,4,6,8,10,12,14(19),15,17,21,23,25,27-tetradecaene;18-dibenzofuran-4-yl-23-azahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(20),2,4,6,8,10,12,14(19),15,17,21,23,25,27-tetradecaene;26-dibenzofuran-4-yl-23-azahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2,4,6,8,10,12,14,16,18,20,22,24,26-tetradecaene;3-dibenzothiophen-4-yl-23-azahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(20),2(7),3,5,8,10,12,14,16,18,21,23,25,27-tetradecaene

C156H92N4O3S — CID 162225024

About 17-dibenzofuran-4-yl-23-azahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(20),2,4,6,8,10,12,14(19),15,17,21,23,25,27-tetradecaene;18-dibenzofuran-4-yl-23-azahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(20),2,4,6,8,10,12,14(19),15,17,21,23,25,27-tetradecaene;26-dibenzofuran-4-yl-23-azahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2,4,6,8,10,12,14,16,18,20,22,24,26-tetradecaene;3-dibenzothiophen-4-yl-23-azahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(20),2(7),3,5,8,10,12,14,16,18,21,23,25,27-tetradecaene

17-dibenzofuran-4-yl-23-azahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(20),2,4,6,8,10,12,14(19),15,17,21,23,25,27-tetradecaene;18-dibenzofuran-4-yl-23-azahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(20),2,4,6,8,10,12,14(19),15,17,21,23,25,27-tetradecaene;26-dibenzofuran-4-yl-23-azahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2,4,6,8,10,12,14,16,18,20,22,24,26-tetradecaene;3-dibenzothiophen-4-yl-23-azahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(20),2(7),3,5,8,10,12,14,16,18,21,23,25,27-tetradecaene (PubChem CID 162225024) has the molecular formula C156H92N4O3S and a molecular weight of 2102.54 g/mol. Its IUPAC name is 17-dibenzofuran-4-yl-23-azahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(20),2,4,6,8,10,12,14(19),15,17,21,23,25,27-tetradecaene;18-dibenzofuran-4-yl-23-azahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(20),2,4,6,8,10,12,14(19),15,17,21,23,25,27-tetradecaene;26-dibenzofuran-4-yl-23-azahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2,4,6,8,10,12,14,16,18,20,22,24,26-tetradecaene;3-dibenzothiophen-4-yl-23-azahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(20),2(7),3,5,8,10,12,14,16,18,21,23,25,27-tetradecaene.

Molecular Properties

• Compound Name: 17-dibenzofuran-4-yl-23-azahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(20),2,4,6,8,10,12,14(19),15,17,21,23,25,27-tetradecaene;18-dibenzofuran-4-yl-23-azahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(20),2,4,6,8,10,12,14(19),15,17,21,23,25,27-tetradecaene;26-dibenzofuran-4-yl-23-azahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2,4,6,8,10,12,14,16,18,20,22,24,26-tetradecaene;3-dibenzothiophen-4-yl-23-azahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(20),2(7),3,5,8,10,12,14,16,18,21,23,25,27-tetradecaene
• PubChem CID: 162225024
• Molecular Formula: C156H92N4O3S
• Molecular Weight: 2102.54 g/mol
• Exact Mass: 2100.69
• IUPAC Name: 17-dibenzofuran-4-yl-23-azahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(20),2,4,6,8,10,12,14(19),15,17,21,23,25,27-tetradecaene;18-dibenzofuran-4-yl-23-azahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(20),2,4,6,8,10,12,14(19),15,17,21,23,25,27-tetradecaene;26-dibenzofuran-4-yl-23-azahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2,4,6,8,10,12,14,16,18,20,22,24,26-tetradecaene;3-dibenzothiophen-4-yl-23-azahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(20),2(7),3,5,8,10,12,14,16,18,21,23,25,27-tetradecaene
• SMILES: c1ccc2c(c1)-c1ccccc1-c1cc3cccnc3cc1-c1cc(-c3cccc4c3oc3ccccc34)ccc1-2.c1ccc2c(c1)-c1ccccc1-c1cc3nccc(-c4cccc5c4oc4ccccc45)c3cc1-c1ccccc1-2.c1ccc2c(c1)-c1ccccc1-c1cccc(-c3cccc4c3oc3ccccc34)c1-c1cc3ncccc3cc1-2.c1ccc2c(c1)-c1ccccc1-c1cccc(-c3cccc4c3sc3ccccc34)c1-c1cc3cccnc3cc1-2
• InChI: InChI=1S/3C39H23NO.C39H23NS/c1-3-13-27-25(11-1)26-12-2-4-14-28(26)34-22-24-10-9-21-40-36(24)23-35(34)38-30(27)16-7-17-31(38)33-19-8-18-32-29-15-5-6-20-37(29)41-39(32)33;1-2-11-25-24(10-1)26-12-3-5-14-28(26)34-22-36-30(20-21-40-37(36)23-35(34)29-15-6-4-13-27(25)29)32-17-9-18-33-31-16-7-8-19-38(31)41-39(32)33;1-2-12-29-27(10-1)28-11-3-4-13-30(28)35-22-25-9-8-20-40-37(25)23-36(35)34-21-24(18-19-31(29)34)26-15-7-16-33-32-14-5-6-17-38(32)41-39(26)33;1-3-13-27-25(11-1)26-12-2-4-14-28(26)34-23-36-24(10-9-21-40-36)22-35(34)38-30(27)16-7-17-31(38)33-19-8-18-32-29-15-5-6-20-37(29)41-39(32)33/h4*1-23H/b26-25-,30-27-,34-28-,38-35+;26-24-,27-25-,34-28-,35-29-;28-27-,31-29-,35-30-,36-34-;26-25-,30-27-,34-28-,38-35+
• InChIKey: ZUQFYYOYBSDUPA-FAELEEQOSA-N
• XLogP: 43.60
• TPSA: 90.98 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 164
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2102.54
LogP ≤ 5	43.60
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 17-dibenzofuran-4-yl-23-azahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(20),2,4,6,8,10,12,14(19),15,17,21,23,25,27-tetradecaene;18-dibenzofuran-4-yl-23-azahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(20),2,4,6,8,10,12,14(19),15,17,21,23,25,27-tetradecaene;26-dibenzofuran-4-yl-23-azahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2,4,6,8,10,12,14,16,18,20,22,24,26-tetradecaene;3-dibenzothiophen-4-yl-23-azahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(20),2(7),3,5,8,10,12,14,16,18,21,23,25,27-tetradecaene?

The IUPAC name of 17-dibenzofuran-4-yl-23-azahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(20),2,4,6,8,10,12,14(19),15,17,21,23,25,27-tetradecaene;18-dibenzofuran-4-yl-23-azahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(20),2,4,6,8,10,12,14(19),15,17,21,23,25,27-tetradecaene;26-dibenzofuran-4-yl-23-azahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2,4,6,8,10,12,14,16,18,20,22,24,26-tetradecaene;3-dibenzothiophen-4-yl-23-azahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(20),2(7),3,5,8,10,12,14,16,18,21,23,25,27-tetradecaene (CID 162225024) is 17-dibenzofuran-4-yl-23-azahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(20),2,4,6,8,10,12,14(19),15,17,21,23,25,27-tetradecaene;18-dibenzofuran-4-yl-23-azahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(20),2,4,6,8,10,12,14(19),15,17,21,23,25,27-tetradecaene;26-dibenzofuran-4-yl-23-azahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2,4,6,8,10,12,14,16,18,20,22,24,26-tetradecaene;3-dibenzothiophen-4-yl-23-azahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(20),2(7),3,5,8,10,12,14,16,18,21,23,25,27-tetradecaene.

What is the SMILES notation for 17-dibenzofuran-4-yl-23-azahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(20),2,4,6,8,10,12,14(19),15,17,21,23,25,27-tetradecaene;18-dibenzofuran-4-yl-23-azahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(20),2,4,6,8,10,12,14(19),15,17,21,23,25,27-tetradecaene;26-dibenzofuran-4-yl-23-azahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2,4,6,8,10,12,14,16,18,20,22,24,26-tetradecaene;3-dibenzothiophen-4-yl-23-azahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(20),2(7),3,5,8,10,12,14,16,18,21,23,25,27-tetradecaene?

The canonical SMILES for 17-dibenzofuran-4-yl-23-azahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(20),2,4,6,8,10,12,14(19),15,17,21,23,25,27-tetradecaene;18-dibenzofuran-4-yl-23-azahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(20),2,4,6,8,10,12,14(19),15,17,21,23,25,27-tetradecaene;26-dibenzofuran-4-yl-23-azahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2,4,6,8,10,12,14,16,18,20,22,24,26-tetradecaene;3-dibenzothiophen-4-yl-23-azahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(20),2(7),3,5,8,10,12,14,16,18,21,23,25,27-tetradecaene is c1ccc2c(c1)-c1ccccc1-c1cc3cccnc3cc1-c1cc(-c3cccc4c3oc3ccccc34)ccc1-2.c1ccc2c(c1)-c1ccccc1-c1cc3nccc(-c4cccc5c4oc4ccccc45)c3cc1-c1ccccc1-2.c1ccc2c(c1)-c1ccccc1-c1cccc(-c3cccc4c3oc3ccccc34)c1-c1cc3ncccc3cc1-2.c1ccc2c(c1)-c1ccccc1-c1cccc(-c3cccc4c3sc3ccccc34)c1-c1cc3cccnc3cc1-2.

What is the InChIKey of 17-dibenzofuran-4-yl-23-azahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(20),2,4,6,8,10,12,14(19),15,17,21,23,25,27-tetradecaene;18-dibenzofuran-4-yl-23-azahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(20),2,4,6,8,10,12,14(19),15,17,21,23,25,27-tetradecaene;26-dibenzofuran-4-yl-23-azahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2,4,6,8,10,12,14,16,18,20,22,24,26-tetradecaene;3-dibenzothiophen-4-yl-23-azahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(20),2(7),3,5,8,10,12,14,16,18,21,23,25,27-tetradecaene?

The InChIKey is ZUQFYYOYBSDUPA-FAELEEQOSA-N. The full InChI is InChI=1S/3C39H23NO.C39H23NS/c1-3-13-27-25(11-1)26-12-2-4-14-28(26)34-22-24-10-9-21-40-36(24)23-35(34)38-30(27)16-7-17-31(38)33-19-8-18-32-29-15-5-6-20-37(29)41-39(32)33;1-2-11-25-24(10-1)26-12-3-5-14-28(26)34-22-36-30(20-21-40-37(36)23-35(34)29-15-6-4-13-27(25)29)32-17-9-18-33-31-16-7-8-19-38(31)41-39(32)33;1-2-12-29-27(10-1)28-11-3-4-13-30(28)35-22-25-9-8-20-40-37(25)23-36(35)34-21-24(18-19-31(29)34)26-15-7-16-33-32-14-5-6-17-38(32)41-39(26)33;1-3-13-27-25(11-1)26-12-2-4-14-28(26)34-23-36-24(10-9-21-40-36)22-35(34)38-30(27)16-7-17-31(38)33-19-8-18-32-29-15-5-6-20-37(29)41-39(32)33/h4*1-23H/b26-25-,30-27-,34-28-,38-35+;26-24-,27-25-,34-28-,35-29-;28-27-,31-29-,35-30-,36-34-;26-25-,30-27-,34-28-,38-35+.

What are the key properties of 17-dibenzofuran-4-yl-23-azahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(20),2,4,6,8,10,12,14(19),15,17,21,23,25,27-tetradecaene;18-dibenzofuran-4-yl-23-azahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(20),2,4,6,8,10,12,14(19),15,17,21,23,25,27-tetradecaene;26-dibenzofuran-4-yl-23-azahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2,4,6,8,10,12,14,16,18,20,22,24,26-tetradecaene;3-dibenzothiophen-4-yl-23-azahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(20),2(7),3,5,8,10,12,14,16,18,21,23,25,27-tetradecaene?

17-dibenzofuran-4-yl-23-azahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(20),2,4,6,8,10,12,14(19),15,17,21,23,25,27-tetradecaene;18-dibenzofuran-4-yl-23-azahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(20),2,4,6,8,10,12,14(19),15,17,21,23,25,27-tetradecaene;26-dibenzofuran-4-yl-23-azahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2,4,6,8,10,12,14,16,18,20,22,24,26-tetradecaene;3-dibenzothiophen-4-yl-23-azahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(20),2(7),3,5,8,10,12,14,16,18,21,23,25,27-tetradecaene has a molecular weight of 2102.54 g/mol, XLogP of 43.60, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 17-dibenzofuran-4-yl-23-azahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(20),2,4,6,8,10,12,14(19),15,17,21,23,25,27-tetradecaene;18-dibenzofuran-4-yl-23-azahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(20),2,4,6,8,10,12,14(19),15,17,21,23,25,27-tetradecaene;26-dibenzofuran-4-yl-23-azahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2,4,6,8,10,12,14,16,18,20,22,24,26-tetradecaene;3-dibenzothiophen-4-yl-23-azahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(20),2(7),3,5,8,10,12,14,16,18,21,23,25,27-tetradecaene is sourced from PubChem (CID 162225024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).