12-(3-dibenzofuran-2-ylquinoxalin-2-yl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-(3-dibenzofuran-3-ylquinoxalin-2-yl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-(3-dibenzofuran-4-ylquinoxalin-2-yl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-(3-dibenzothiophen-4-ylquinoxalin-2-yl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene

C160H92N12O3S — CID 158909628

About 12-(3-dibenzofuran-2-ylquinoxalin-2-yl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-(3-dibenzofuran-3-ylquinoxalin-2-yl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-(3-dibenzofuran-4-ylquinoxalin-2-yl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-(3-dibenzothiophen-4-ylquinoxalin-2-yl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene

12-(3-dibenzofuran-2-ylquinoxalin-2-yl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-(3-dibenzofuran-3-ylquinoxalin-2-yl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-(3-dibenzofuran-4-ylquinoxalin-2-yl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-(3-dibenzothiophen-4-ylquinoxalin-2-yl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene (PubChem CID 158909628) has the molecular formula C160H92N12O3S and a molecular weight of 2262.64 g/mol. Its IUPAC name is 12-(3-dibenzofuran-2-ylquinoxalin-2-yl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-(3-dibenzofuran-3-ylquinoxalin-2-yl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-(3-dibenzofuran-4-ylquinoxalin-2-yl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-(3-dibenzothiophen-4-ylquinoxalin-2-yl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene.

Molecular Properties

• Compound Name: 12-(3-dibenzofuran-2-ylquinoxalin-2-yl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-(3-dibenzofuran-3-ylquinoxalin-2-yl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-(3-dibenzofuran-4-ylquinoxalin-2-yl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-(3-dibenzothiophen-4-ylquinoxalin-2-yl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
• PubChem CID: 158909628
• Molecular Formula: C160H92N12O3S
• Molecular Weight: 2262.64 g/mol
• Exact Mass: 2260.71
• IUPAC Name: 12-(3-dibenzofuran-2-ylquinoxalin-2-yl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-(3-dibenzofuran-3-ylquinoxalin-2-yl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-(3-dibenzofuran-4-ylquinoxalin-2-yl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-(3-dibenzothiophen-4-ylquinoxalin-2-yl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
• SMILES: c1ccc2c(c1)ccc1c2c2c3ccccc3ccc2n1-c1nc2ccccc2nc1-c1ccc2c(c1)oc1ccccc12.c1ccc2c(c1)ccc1c2c2c3ccccc3ccc2n1-c1nc2ccccc2nc1-c1ccc2oc3ccccc3c2c1.c1ccc2c(c1)ccc1c2c2c3ccccc3ccc2n1-c1nc2ccccc2nc1-c1cccc2c1oc1ccccc12.c1ccc2c(c1)ccc1c2c2c3ccccc3ccc2n1-c1nc2ccccc2nc1-c1cccc2c1sc1ccccc12
• InChI: InChI=1S/3C40H23N3O.C40H23N3S/c1-3-12-26-24(10-1)20-22-33-36(26)37-27-13-4-2-11-25(27)21-23-34(37)43(33)40-38(41-31-17-6-7-18-32(31)42-40)30-16-9-15-29-28-14-5-8-19-35(28)44-39(29)30;1-3-11-27-24(9-1)18-21-33-37(27)38-28-12-4-2-10-25(28)19-22-34(38)43(33)40-39(41-31-14-6-7-15-32(31)42-40)26-17-20-30-29-13-5-8-16-35(29)44-36(30)23-26;1-3-11-27-24(9-1)17-20-33-37(27)38-28-12-4-2-10-25(28)18-21-34(38)43(33)40-39(41-31-14-6-7-15-32(31)42-40)26-19-22-36-30(23-26)29-13-5-8-16-35(29)44-36;1-3-12-26-24(10-1)20-22-33-36(26)37-27-13-4-2-11-25(27)21-23-34(37)43(33)40-38(41-31-17-6-7-18-32(31)42-40)30-16-9-15-29-28-14-5-8-19-35(28)44-39(29)30/h4*1-23H
• InChIKey: JGMBLIQYDARHGX-UHFFFAOYSA-N
• XLogP: 42.87
• TPSA: 162.26 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 8
• Heavy Atoms: 176
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2262.64
LogP ≤ 5	42.87
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of 12-(3-dibenzofuran-2-ylquinoxalin-2-yl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-(3-dibenzofuran-3-ylquinoxalin-2-yl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-(3-dibenzofuran-4-ylquinoxalin-2-yl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-(3-dibenzothiophen-4-ylquinoxalin-2-yl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene?

The IUPAC name of 12-(3-dibenzofuran-2-ylquinoxalin-2-yl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-(3-dibenzofuran-3-ylquinoxalin-2-yl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-(3-dibenzofuran-4-ylquinoxalin-2-yl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-(3-dibenzothiophen-4-ylquinoxalin-2-yl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene (CID 158909628) is 12-(3-dibenzofuran-2-ylquinoxalin-2-yl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-(3-dibenzofuran-3-ylquinoxalin-2-yl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-(3-dibenzofuran-4-ylquinoxalin-2-yl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-(3-dibenzothiophen-4-ylquinoxalin-2-yl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene.

What is the SMILES notation for 12-(3-dibenzofuran-2-ylquinoxalin-2-yl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-(3-dibenzofuran-3-ylquinoxalin-2-yl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-(3-dibenzofuran-4-ylquinoxalin-2-yl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-(3-dibenzothiophen-4-ylquinoxalin-2-yl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene?

The canonical SMILES for 12-(3-dibenzofuran-2-ylquinoxalin-2-yl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-(3-dibenzofuran-3-ylquinoxalin-2-yl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-(3-dibenzofuran-4-ylquinoxalin-2-yl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-(3-dibenzothiophen-4-ylquinoxalin-2-yl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene is c1ccc2c(c1)ccc1c2c2c3ccccc3ccc2n1-c1nc2ccccc2nc1-c1ccc2c(c1)oc1ccccc12.c1ccc2c(c1)ccc1c2c2c3ccccc3ccc2n1-c1nc2ccccc2nc1-c1ccc2oc3ccccc3c2c1.c1ccc2c(c1)ccc1c2c2c3ccccc3ccc2n1-c1nc2ccccc2nc1-c1cccc2c1oc1ccccc12.c1ccc2c(c1)ccc1c2c2c3ccccc3ccc2n1-c1nc2ccccc2nc1-c1cccc2c1sc1ccccc12.

What is the InChIKey of 12-(3-dibenzofuran-2-ylquinoxalin-2-yl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-(3-dibenzofuran-3-ylquinoxalin-2-yl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-(3-dibenzofuran-4-ylquinoxalin-2-yl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-(3-dibenzothiophen-4-ylquinoxalin-2-yl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene?

The InChIKey is JGMBLIQYDARHGX-UHFFFAOYSA-N. The full InChI is InChI=1S/3C40H23N3O.C40H23N3S/c1-3-12-26-24(10-1)20-22-33-36(26)37-27-13-4-2-11-25(27)21-23-34(37)43(33)40-38(41-31-17-6-7-18-32(31)42-40)30-16-9-15-29-28-14-5-8-19-35(28)44-39(29)30;1-3-11-27-24(9-1)18-21-33-37(27)38-28-12-4-2-10-25(28)19-22-34(38)43(33)40-39(41-31-14-6-7-15-32(31)42-40)26-17-20-30-29-13-5-8-16-35(29)44-36(30)23-26;1-3-11-27-24(9-1)17-20-33-37(27)38-28-12-4-2-10-25(28)18-21-34(38)43(33)40-39(41-31-14-6-7-15-32(31)42-40)26-19-22-36-30(23-26)29-13-5-8-16-35(29)44-36;1-3-12-26-24(10-1)20-22-33-36(26)37-27-13-4-2-11-25(27)21-23-34(37)43(33)40-38(41-31-17-6-7-18-32(31)42-40)30-16-9-15-29-28-14-5-8-19-35(28)44-39(29)30/h4*1-23H.

What are the key properties of 12-(3-dibenzofuran-2-ylquinoxalin-2-yl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-(3-dibenzofuran-3-ylquinoxalin-2-yl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-(3-dibenzofuran-4-ylquinoxalin-2-yl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-(3-dibenzothiophen-4-ylquinoxalin-2-yl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene?

12-(3-dibenzofuran-2-ylquinoxalin-2-yl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-(3-dibenzofuran-3-ylquinoxalin-2-yl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-(3-dibenzofuran-4-ylquinoxalin-2-yl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-(3-dibenzothiophen-4-ylquinoxalin-2-yl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene has a molecular weight of 2262.64 g/mol, XLogP of 42.87, 8 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 12-(3-dibenzofuran-2-ylquinoxalin-2-yl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-(3-dibenzofuran-3-ylquinoxalin-2-yl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-(3-dibenzofuran-4-ylquinoxalin-2-yl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-(3-dibenzothiophen-4-ylquinoxalin-2-yl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene is sourced from PubChem (CID 158909628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).