14-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-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;5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-12-phenylindolo[3,2-c]carbazole;14-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene

C141H83N13O4S — CID 157198773

About 14-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-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;5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-12-phenylindolo[3,2-c]carbazole;14-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene

14-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-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;5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-12-phenylindolo[3,2-c]carbazole;14-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-9-thia-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 157198773) has the molecular formula C141H83N13O4S and a molecular weight of 2055.37 g/mol. Its IUPAC name is 14-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-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;5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-12-phenylindolo[3,2-c]carbazole;14-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-9-thia-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: 14-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-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;5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-12-phenylindolo[3,2-c]carbazole;14-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-9-thia-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: 157198773
• Molecular Formula: C141H83N13O4S
• Molecular Weight: 2055.37 g/mol
• Exact Mass: 2053.64
• IUPAC Name: 14-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-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;5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-12-phenylindolo[3,2-c]carbazole;14-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-9-thia-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: c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4oc5cc(-n6c7ccccc7c7c6ccc6c8ccccc8n(-c8ccccc8)c67)ccc5c34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4oc5cc(-n6c7ccccc7c7c8c(ccc76)oc6ccccc68)ccc5c34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4oc5cc(-n6c7ccccc7c7c8c(ccc76)sc6ccccc68)ccc5c34)n2)cc1
• InChI: InChI=1S/C51H31N5O.C45H26N4O2.C45H26N4OS/c1-4-15-32(16-5-1)49-52-50(33-17-6-2-7-18-33)54-51(53-49)40-23-14-26-44-46(40)39-28-27-35(31-45(39)57-44)55-42-25-13-11-22-38(42)47-43(55)30-29-37-36-21-10-12-24-41(36)56(48(37)47)34-19-8-3-9-20-34;1-3-12-27(13-4-1)43-46-44(28-14-5-2-6-15-28)48-45(47-43)33-18-11-21-37-40(33)32-23-22-29(26-39(32)51-37)49-34-19-9-7-16-30(34)41-35(49)24-25-38-42(41)31-17-8-10-20-36(31)50-38;1-3-12-27(13-4-1)43-46-44(28-14-5-2-6-15-28)48-45(47-43)33-18-11-20-36-40(33)31-23-22-29(26-37(31)50-36)49-34-19-9-7-16-30(34)41-35(49)24-25-39-42(41)32-17-8-10-21-38(32)51-39/h1-31H;2*1-26H
• InChIKey: AQOBKJWCVREEHP-UHFFFAOYSA-N
• XLogP: 36.97
• TPSA: 188.29 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 13
• Heavy Atoms: 159
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2055.37
LogP ≤ 5	36.97
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of 14-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-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;5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-12-phenylindolo[3,2-c]carbazole;14-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-9-thia-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 14-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-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;5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-12-phenylindolo[3,2-c]carbazole;14-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-9-thia-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 157198773) is 14-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-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;5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-12-phenylindolo[3,2-c]carbazole;14-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-9-thia-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 14-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-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;5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-12-phenylindolo[3,2-c]carbazole;14-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-9-thia-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 14-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-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;5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-12-phenylindolo[3,2-c]carbazole;14-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-9-thia-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 c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4oc5cc(-n6c7ccccc7c7c6ccc6c8ccccc8n(-c8ccccc8)c67)ccc5c34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4oc5cc(-n6c7ccccc7c7c8c(ccc76)oc6ccccc68)ccc5c34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4oc5cc(-n6c7ccccc7c7c8c(ccc76)sc6ccccc68)ccc5c34)n2)cc1.

What is the InChIKey of 14-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-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;5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-12-phenylindolo[3,2-c]carbazole;14-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-9-thia-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 AQOBKJWCVREEHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H31N5O.C45H26N4O2.C45H26N4OS/c1-4-15-32(16-5-1)49-52-50(33-17-6-2-7-18-33)54-51(53-49)40-23-14-26-44-46(40)39-28-27-35(31-45(39)57-44)55-42-25-13-11-22-38(42)47-43(55)30-29-37-36-21-10-12-24-41(36)56(48(37)47)34-19-8-3-9-20-34;1-3-12-27(13-4-1)43-46-44(28-14-5-2-6-15-28)48-45(47-43)33-18-11-21-37-40(33)32-23-22-29(26-39(32)51-37)49-34-19-9-7-16-30(34)41-35(49)24-25-38-42(41)31-17-8-10-20-36(31)50-38;1-3-12-27(13-4-1)43-46-44(28-14-5-2-6-15-28)48-45(47-43)33-18-11-20-36-40(33)31-23-22-29(26-37(31)50-36)49-34-19-9-7-16-30(34)41-35(49)24-25-39-42(41)32-17-8-10-21-38(32)51-39/h1-31H;2*1-26H.

What are the key properties of 14-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-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;5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-12-phenylindolo[3,2-c]carbazole;14-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene?

14-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-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;5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-12-phenylindolo[3,2-c]carbazole;14-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-9-thia-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 2055.37 g/mol, XLogP of 36.97, 13 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 14-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-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;5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-12-phenylindolo[3,2-c]carbazole;14-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-9-thia-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 157198773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).