11-dibenzothiophen-4-yl-21,23-diazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(20),2,4,6,8(13),9,11,14,16,18,21,23,25,27-tetradecaene;12-dibenzothiophen-4-yl-21,23-diazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(20),2,4,6,8(13),9,11,14,16,18,21,23,25,27-tetradecaene;15-dibenzothiophen-4-yl-21,23-diazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(20),2,4,6,8,10,12,14,16,18,21,23,25,27-tetradecaene;16-dibenzothiophen-4-yl-21,23-diazahexacyclo[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

C152H88N8S4 — CID 159788851

About 11-dibenzothiophen-4-yl-21,23-diazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(20),2,4,6,8(13),9,11,14,16,18,21,23,25,27-tetradecaene;12-dibenzothiophen-4-yl-21,23-diazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(20),2,4,6,8(13),9,11,14,16,18,21,23,25,27-tetradecaene;15-dibenzothiophen-4-yl-21,23-diazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(20),2,4,6,8,10,12,14,16,18,21,23,25,27-tetradecaene;16-dibenzothiophen-4-yl-21,23-diazahexacyclo[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

11-dibenzothiophen-4-yl-21,23-diazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(20),2,4,6,8(13),9,11,14,16,18,21,23,25,27-tetradecaene;12-dibenzothiophen-4-yl-21,23-diazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(20),2,4,6,8(13),9,11,14,16,18,21,23,25,27-tetradecaene;15-dibenzothiophen-4-yl-21,23-diazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(20),2,4,6,8,10,12,14,16,18,21,23,25,27-tetradecaene;16-dibenzothiophen-4-yl-21,23-diazahexacyclo[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 (PubChem CID 159788851) has the molecular formula C152H88N8S4 and a molecular weight of 2154.70 g/mol. Its IUPAC name is 11-dibenzothiophen-4-yl-21,23-diazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(20),2,4,6,8(13),9,11,14,16,18,21,23,25,27-tetradecaene;12-dibenzothiophen-4-yl-21,23-diazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(20),2,4,6,8(13),9,11,14,16,18,21,23,25,27-tetradecaene;15-dibenzothiophen-4-yl-21,23-diazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(20),2,4,6,8,10,12,14,16,18,21,23,25,27-tetradecaene;16-dibenzothiophen-4-yl-21,23-diazahexacyclo[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.

Molecular Properties

• Compound Name: 11-dibenzothiophen-4-yl-21,23-diazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(20),2,4,6,8(13),9,11,14,16,18,21,23,25,27-tetradecaene;12-dibenzothiophen-4-yl-21,23-diazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(20),2,4,6,8(13),9,11,14,16,18,21,23,25,27-tetradecaene;15-dibenzothiophen-4-yl-21,23-diazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(20),2,4,6,8,10,12,14,16,18,21,23,25,27-tetradecaene;16-dibenzothiophen-4-yl-21,23-diazahexacyclo[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
• PubChem CID: 159788851
• Molecular Formula: C152H88N8S4
• Molecular Weight: 2154.70 g/mol
• Exact Mass: 2152.60
• IUPAC Name: 11-dibenzothiophen-4-yl-21,23-diazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(20),2,4,6,8(13),9,11,14,16,18,21,23,25,27-tetradecaene;12-dibenzothiophen-4-yl-21,23-diazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(20),2,4,6,8(13),9,11,14,16,18,21,23,25,27-tetradecaene;15-dibenzothiophen-4-yl-21,23-diazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(20),2,4,6,8,10,12,14,16,18,21,23,25,27-tetradecaene;16-dibenzothiophen-4-yl-21,23-diazahexacyclo[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
• SMILES: c1ccc2c(c1)-c1cc3cccnc3nc1-c1ccccc1-c1c-2cccc1-c1cccc2c1sc1ccccc12.c1ccc2c(c1)-c1ccc(-c3cccc4c3sc3ccccc34)cc1-c1ccccc1-c1nc3ncccc3cc1-2.c1ccc2c(c1)-c1ccccc1-c1c(cccc1-c1cccc3c1sc1ccccc13)-c1nc3ncccc3cc1-2.c1ccc2c(c1)-c1ccccc1-c1cc3cccnc3nc1-c1ccc(-c3cccc4c3sc3ccccc34)cc1-2
• InChI: InChI=1S/4C38H22N2S/c1-3-12-28-26(10-1)27-11-2-4-13-29(27)34-22-24-9-8-20-39-38(24)40-36(34)31-19-18-23(21-33(28)31)25-15-7-16-32-30-14-5-6-17-35(30)41-37(25)32;1-2-13-26-24(11-1)25-12-3-4-15-28(25)35-29(31-18-8-17-30-27-14-5-6-20-34(27)41-37(30)31)16-7-19-32(35)36-33(26)22-23-10-9-21-39-38(23)40-36;1-2-12-25-24(11-1)27-16-7-17-29(32-19-8-18-31-26-13-5-6-20-34(26)41-37(31)32)35(27)28-14-3-4-15-30(28)36-33(25)22-23-10-9-21-39-38(23)40-36;1-2-11-27-26(10-1)29-19-18-23(25-15-7-16-32-30-13-5-6-17-35(30)41-37(25)32)21-33(29)28-12-3-4-14-31(28)36-34(27)22-24-9-8-20-39-38(24)40-36/h4*1-22H/b27-26-,33-28-,34-29-,36-31+;25-24-,33-26-,35-28-,36-32+;27-24-,33-25-,35-28+,36-30+;29-26-,33-28-,34-27-,36-31+
• InChIKey: NIHJOQOJPHBKMH-CQDRIPIYSA-N
• XLogP: 42.58
• TPSA: 103.12 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 4
• Heavy Atoms: 164
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2154.70
LogP ≤ 5	42.58
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 11-dibenzothiophen-4-yl-21,23-diazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(20),2,4,6,8(13),9,11,14,16,18,21,23,25,27-tetradecaene;12-dibenzothiophen-4-yl-21,23-diazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(20),2,4,6,8(13),9,11,14,16,18,21,23,25,27-tetradecaene;15-dibenzothiophen-4-yl-21,23-diazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(20),2,4,6,8,10,12,14,16,18,21,23,25,27-tetradecaene;16-dibenzothiophen-4-yl-21,23-diazahexacyclo[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?

The IUPAC name of 11-dibenzothiophen-4-yl-21,23-diazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(20),2,4,6,8(13),9,11,14,16,18,21,23,25,27-tetradecaene;12-dibenzothiophen-4-yl-21,23-diazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(20),2,4,6,8(13),9,11,14,16,18,21,23,25,27-tetradecaene;15-dibenzothiophen-4-yl-21,23-diazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(20),2,4,6,8,10,12,14,16,18,21,23,25,27-tetradecaene;16-dibenzothiophen-4-yl-21,23-diazahexacyclo[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 (CID 159788851) is 11-dibenzothiophen-4-yl-21,23-diazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(20),2,4,6,8(13),9,11,14,16,18,21,23,25,27-tetradecaene;12-dibenzothiophen-4-yl-21,23-diazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(20),2,4,6,8(13),9,11,14,16,18,21,23,25,27-tetradecaene;15-dibenzothiophen-4-yl-21,23-diazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(20),2,4,6,8,10,12,14,16,18,21,23,25,27-tetradecaene;16-dibenzothiophen-4-yl-21,23-diazahexacyclo[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.

What is the SMILES notation for 11-dibenzothiophen-4-yl-21,23-diazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(20),2,4,6,8(13),9,11,14,16,18,21,23,25,27-tetradecaene;12-dibenzothiophen-4-yl-21,23-diazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(20),2,4,6,8(13),9,11,14,16,18,21,23,25,27-tetradecaene;15-dibenzothiophen-4-yl-21,23-diazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(20),2,4,6,8,10,12,14,16,18,21,23,25,27-tetradecaene;16-dibenzothiophen-4-yl-21,23-diazahexacyclo[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?

The canonical SMILES for 11-dibenzothiophen-4-yl-21,23-diazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(20),2,4,6,8(13),9,11,14,16,18,21,23,25,27-tetradecaene;12-dibenzothiophen-4-yl-21,23-diazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(20),2,4,6,8(13),9,11,14,16,18,21,23,25,27-tetradecaene;15-dibenzothiophen-4-yl-21,23-diazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(20),2,4,6,8,10,12,14,16,18,21,23,25,27-tetradecaene;16-dibenzothiophen-4-yl-21,23-diazahexacyclo[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 is c1ccc2c(c1)-c1cc3cccnc3nc1-c1ccccc1-c1c-2cccc1-c1cccc2c1sc1ccccc12.c1ccc2c(c1)-c1ccc(-c3cccc4c3sc3ccccc34)cc1-c1ccccc1-c1nc3ncccc3cc1-2.c1ccc2c(c1)-c1ccccc1-c1c(cccc1-c1cccc3c1sc1ccccc13)-c1nc3ncccc3cc1-2.c1ccc2c(c1)-c1ccccc1-c1cc3cccnc3nc1-c1ccc(-c3cccc4c3sc3ccccc34)cc1-2.

What is the InChIKey of 11-dibenzothiophen-4-yl-21,23-diazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(20),2,4,6,8(13),9,11,14,16,18,21,23,25,27-tetradecaene;12-dibenzothiophen-4-yl-21,23-diazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(20),2,4,6,8(13),9,11,14,16,18,21,23,25,27-tetradecaene;15-dibenzothiophen-4-yl-21,23-diazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(20),2,4,6,8,10,12,14,16,18,21,23,25,27-tetradecaene;16-dibenzothiophen-4-yl-21,23-diazahexacyclo[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?

The InChIKey is NIHJOQOJPHBKMH-CQDRIPIYSA-N. The full InChI is InChI=1S/4C38H22N2S/c1-3-12-28-26(10-1)27-11-2-4-13-29(27)34-22-24-9-8-20-39-38(24)40-36(34)31-19-18-23(21-33(28)31)25-15-7-16-32-30-14-5-6-17-35(30)41-37(25)32;1-2-13-26-24(11-1)25-12-3-4-15-28(25)35-29(31-18-8-17-30-27-14-5-6-20-34(27)41-37(30)31)16-7-19-32(35)36-33(26)22-23-10-9-21-39-38(23)40-36;1-2-12-25-24(11-1)27-16-7-17-29(32-19-8-18-31-26-13-5-6-20-34(26)41-37(31)32)35(27)28-14-3-4-15-30(28)36-33(25)22-23-10-9-21-39-38(23)40-36;1-2-11-27-26(10-1)29-19-18-23(25-15-7-16-32-30-13-5-6-17-35(30)41-37(25)32)21-33(29)28-12-3-4-14-31(28)36-34(27)22-24-9-8-20-39-38(24)40-36/h4*1-22H/b27-26-,33-28-,34-29-,36-31+;25-24-,33-26-,35-28-,36-32+;27-24-,33-25-,35-28+,36-30+;29-26-,33-28-,34-27-,36-31+.

What are the key properties of 11-dibenzothiophen-4-yl-21,23-diazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(20),2,4,6,8(13),9,11,14,16,18,21,23,25,27-tetradecaene;12-dibenzothiophen-4-yl-21,23-diazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(20),2,4,6,8(13),9,11,14,16,18,21,23,25,27-tetradecaene;15-dibenzothiophen-4-yl-21,23-diazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(20),2,4,6,8,10,12,14,16,18,21,23,25,27-tetradecaene;16-dibenzothiophen-4-yl-21,23-diazahexacyclo[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?

11-dibenzothiophen-4-yl-21,23-diazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(20),2,4,6,8(13),9,11,14,16,18,21,23,25,27-tetradecaene;12-dibenzothiophen-4-yl-21,23-diazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(20),2,4,6,8(13),9,11,14,16,18,21,23,25,27-tetradecaene;15-dibenzothiophen-4-yl-21,23-diazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(20),2,4,6,8,10,12,14,16,18,21,23,25,27-tetradecaene;16-dibenzothiophen-4-yl-21,23-diazahexacyclo[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 has a molecular weight of 2154.70 g/mol, XLogP of 42.58, 4 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 11-dibenzothiophen-4-yl-21,23-diazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(20),2,4,6,8(13),9,11,14,16,18,21,23,25,27-tetradecaene;12-dibenzothiophen-4-yl-21,23-diazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(20),2,4,6,8(13),9,11,14,16,18,21,23,25,27-tetradecaene;15-dibenzothiophen-4-yl-21,23-diazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(20),2,4,6,8,10,12,14,16,18,21,23,25,27-tetradecaene;16-dibenzothiophen-4-yl-21,23-diazahexacyclo[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 is sourced from PubChem (CID 159788851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).