12-dibenzofuran-2-yl-[1]benzofuro[3,2-a]carbazole;5-dibenzofuran-2-yl-[1]benzofuro[3,2-c]carbazole;14-dibenzofuran-2-yl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;12-dibenzothiophen-2-yl-[1]benzofuro[3,2-a]carbazole;7-dibenzothiophen-2-yl-[1]benzofuro[2,3-b]carbazole;14-dibenzothiophen-2-yl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene

C180H102N6O9S3 — CID 159688697

About 12-dibenzofuran-2-yl-[1]benzofuro[3,2-a]carbazole;5-dibenzofuran-2-yl-[1]benzofuro[3,2-c]carbazole;14-dibenzofuran-2-yl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;12-dibenzothiophen-2-yl-[1]benzofuro[3,2-a]carbazole;7-dibenzothiophen-2-yl-[1]benzofuro[2,3-b]carbazole;14-dibenzothiophen-2-yl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene

12-dibenzofuran-2-yl-[1]benzofuro[3,2-a]carbazole;5-dibenzofuran-2-yl-[1]benzofuro[3,2-c]carbazole;14-dibenzofuran-2-yl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;12-dibenzothiophen-2-yl-[1]benzofuro[3,2-a]carbazole;7-dibenzothiophen-2-yl-[1]benzofuro[2,3-b]carbazole;14-dibenzothiophen-2-yl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene (PubChem CID 159688697) has the molecular formula C180H102N6O9S3 and a molecular weight of 2589.03 g/mol. Its IUPAC name is 12-dibenzofuran-2-yl-[1]benzofuro[3,2-a]carbazole;5-dibenzofuran-2-yl-[1]benzofuro[3,2-c]carbazole;14-dibenzofuran-2-yl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;12-dibenzothiophen-2-yl-[1]benzofuro[3,2-a]carbazole;7-dibenzothiophen-2-yl-[1]benzofuro[2,3-b]carbazole;14-dibenzothiophen-2-yl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene.

Molecular Properties

• Compound Name: 12-dibenzofuran-2-yl-[1]benzofuro[3,2-a]carbazole;5-dibenzofuran-2-yl-[1]benzofuro[3,2-c]carbazole;14-dibenzofuran-2-yl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;12-dibenzothiophen-2-yl-[1]benzofuro[3,2-a]carbazole;7-dibenzothiophen-2-yl-[1]benzofuro[2,3-b]carbazole;14-dibenzothiophen-2-yl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
• PubChem CID: 159688697
• Molecular Formula: C180H102N6O9S3
• Molecular Weight: 2589.03 g/mol
• Exact Mass: 2586.69
• IUPAC Name: 12-dibenzofuran-2-yl-[1]benzofuro[3,2-a]carbazole;5-dibenzofuran-2-yl-[1]benzofuro[3,2-c]carbazole;14-dibenzofuran-2-yl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;12-dibenzothiophen-2-yl-[1]benzofuro[3,2-a]carbazole;7-dibenzothiophen-2-yl-[1]benzofuro[2,3-b]carbazole;14-dibenzothiophen-2-yl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
• SMILES: c1ccc2c(c1)oc1cc3c(cc12)c1ccccc1n3-c1ccc2sc3ccccc3c2c1.c1ccc2c(c1)oc1ccc(-n3c4ccccc4c4c5c(ccc43)oc3ccccc35)cc12.c1ccc2c(c1)oc1ccc(-n3c4ccccc4c4c5oc6ccccc6c5ccc43)cc12.c1ccc2c(c1)oc1ccc(-n3c4ccccc4c4ccc5oc6ccccc6c5c43)cc12.c1ccc2c(c1)oc1ccc3c(c4ccccc4n3-c3ccc4sc5ccccc5c4c3)c12.c1ccc2c(c1)oc1ccc3c4ccccc4n(-c4ccc5sc6ccccc6c5c4)c3c12
• InChI: InChI=1S/3C30H17NO2.3C30H17NOS/c1-4-10-24-22(9-1)29-25(15-14-21-19-7-2-6-12-27(19)33-30(21)29)31(24)18-13-16-28-23(17-18)20-8-3-5-11-26(20)32-28;1-4-10-23-20(8-1)29-24(14-16-28-30(29)21-9-3-6-12-26(21)33-28)31(23)18-13-15-27-22(17-18)19-7-2-5-11-25(19)32-27;1-4-10-24-19(7-1)21-14-16-28-29(22-9-3-6-12-26(22)33-28)30(21)31(24)18-13-15-27-23(17-18)20-8-2-5-11-25(20)32-27;1-4-10-23-20(8-1)29-24(14-15-26-30(29)21-9-2-5-11-25(21)32-26)31(23)18-13-16-28-22(17-18)19-7-3-6-12-27(19)33-28;1-4-10-24-19(7-1)21-14-15-26-29(22-9-2-5-11-25(22)32-26)30(21)31(24)18-13-16-28-23(17-18)20-8-3-6-12-27(20)33-28;1-4-10-25-19(7-1)22-16-23-20-8-2-5-11-27(20)32-28(23)17-26(22)31(25)18-13-14-30-24(15-18)21-9-3-6-12-29(21)33-30/h6*1-17H
• InChIKey: MWDCNKDCPGNFEI-UHFFFAOYSA-N
• XLogP: 52.90
• TPSA: 147.84 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 6
• Heavy Atoms: 198
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2589.03
LogP ≤ 5	52.90
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of 12-dibenzofuran-2-yl-[1]benzofuro[3,2-a]carbazole;5-dibenzofuran-2-yl-[1]benzofuro[3,2-c]carbazole;14-dibenzofuran-2-yl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;12-dibenzothiophen-2-yl-[1]benzofuro[3,2-a]carbazole;7-dibenzothiophen-2-yl-[1]benzofuro[2,3-b]carbazole;14-dibenzothiophen-2-yl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene?

The IUPAC name of 12-dibenzofuran-2-yl-[1]benzofuro[3,2-a]carbazole;5-dibenzofuran-2-yl-[1]benzofuro[3,2-c]carbazole;14-dibenzofuran-2-yl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;12-dibenzothiophen-2-yl-[1]benzofuro[3,2-a]carbazole;7-dibenzothiophen-2-yl-[1]benzofuro[2,3-b]carbazole;14-dibenzothiophen-2-yl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene (CID 159688697) is 12-dibenzofuran-2-yl-[1]benzofuro[3,2-a]carbazole;5-dibenzofuran-2-yl-[1]benzofuro[3,2-c]carbazole;14-dibenzofuran-2-yl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;12-dibenzothiophen-2-yl-[1]benzofuro[3,2-a]carbazole;7-dibenzothiophen-2-yl-[1]benzofuro[2,3-b]carbazole;14-dibenzothiophen-2-yl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene.

What is the SMILES notation for 12-dibenzofuran-2-yl-[1]benzofuro[3,2-a]carbazole;5-dibenzofuran-2-yl-[1]benzofuro[3,2-c]carbazole;14-dibenzofuran-2-yl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;12-dibenzothiophen-2-yl-[1]benzofuro[3,2-a]carbazole;7-dibenzothiophen-2-yl-[1]benzofuro[2,3-b]carbazole;14-dibenzothiophen-2-yl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene?

The canonical SMILES for 12-dibenzofuran-2-yl-[1]benzofuro[3,2-a]carbazole;5-dibenzofuran-2-yl-[1]benzofuro[3,2-c]carbazole;14-dibenzofuran-2-yl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;12-dibenzothiophen-2-yl-[1]benzofuro[3,2-a]carbazole;7-dibenzothiophen-2-yl-[1]benzofuro[2,3-b]carbazole;14-dibenzothiophen-2-yl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene is c1ccc2c(c1)oc1cc3c(cc12)c1ccccc1n3-c1ccc2sc3ccccc3c2c1.c1ccc2c(c1)oc1ccc(-n3c4ccccc4c4c5c(ccc43)oc3ccccc35)cc12.c1ccc2c(c1)oc1ccc(-n3c4ccccc4c4c5oc6ccccc6c5ccc43)cc12.c1ccc2c(c1)oc1ccc(-n3c4ccccc4c4ccc5oc6ccccc6c5c43)cc12.c1ccc2c(c1)oc1ccc3c(c4ccccc4n3-c3ccc4sc5ccccc5c4c3)c12.c1ccc2c(c1)oc1ccc3c4ccccc4n(-c4ccc5sc6ccccc6c5c4)c3c12.

What is the InChIKey of 12-dibenzofuran-2-yl-[1]benzofuro[3,2-a]carbazole;5-dibenzofuran-2-yl-[1]benzofuro[3,2-c]carbazole;14-dibenzofuran-2-yl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;12-dibenzothiophen-2-yl-[1]benzofuro[3,2-a]carbazole;7-dibenzothiophen-2-yl-[1]benzofuro[2,3-b]carbazole;14-dibenzothiophen-2-yl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene?

The InChIKey is MWDCNKDCPGNFEI-UHFFFAOYSA-N. The full InChI is InChI=1S/3C30H17NO2.3C30H17NOS/c1-4-10-24-22(9-1)29-25(15-14-21-19-7-2-6-12-27(19)33-30(21)29)31(24)18-13-16-28-23(17-18)20-8-3-5-11-26(20)32-28;1-4-10-23-20(8-1)29-24(14-16-28-30(29)21-9-3-6-12-26(21)33-28)31(23)18-13-15-27-22(17-18)19-7-2-5-11-25(19)32-27;1-4-10-24-19(7-1)21-14-16-28-29(22-9-3-6-12-26(22)33-28)30(21)31(24)18-13-15-27-23(17-18)20-8-2-5-11-25(20)32-27;1-4-10-23-20(8-1)29-24(14-15-26-30(29)21-9-2-5-11-25(21)32-26)31(23)18-13-16-28-22(17-18)19-7-3-6-12-27(19)33-28;1-4-10-24-19(7-1)21-14-15-26-29(22-9-2-5-11-25(22)32-26)30(21)31(24)18-13-16-28-23(17-18)20-8-3-6-12-27(20)33-28;1-4-10-25-19(7-1)22-16-23-20-8-2-5-11-27(20)32-28(23)17-26(22)31(25)18-13-14-30-24(15-18)21-9-3-6-12-29(21)33-30/h6*1-17H.

What are the key properties of 12-dibenzofuran-2-yl-[1]benzofuro[3,2-a]carbazole;5-dibenzofuran-2-yl-[1]benzofuro[3,2-c]carbazole;14-dibenzofuran-2-yl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;12-dibenzothiophen-2-yl-[1]benzofuro[3,2-a]carbazole;7-dibenzothiophen-2-yl-[1]benzofuro[2,3-b]carbazole;14-dibenzothiophen-2-yl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene?

12-dibenzofuran-2-yl-[1]benzofuro[3,2-a]carbazole;5-dibenzofuran-2-yl-[1]benzofuro[3,2-c]carbazole;14-dibenzofuran-2-yl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;12-dibenzothiophen-2-yl-[1]benzofuro[3,2-a]carbazole;7-dibenzothiophen-2-yl-[1]benzofuro[2,3-b]carbazole;14-dibenzothiophen-2-yl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene has a molecular weight of 2589.03 g/mol, XLogP of 52.90, 6 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 12-dibenzofuran-2-yl-[1]benzofuro[3,2-a]carbazole;5-dibenzofuran-2-yl-[1]benzofuro[3,2-c]carbazole;14-dibenzofuran-2-yl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;12-dibenzothiophen-2-yl-[1]benzofuro[3,2-a]carbazole;7-dibenzothiophen-2-yl-[1]benzofuro[2,3-b]carbazole;14-dibenzothiophen-2-yl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene is sourced from PubChem (CID 159688697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).