4-dibenzothiophen-1-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]carbazole;12-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenylphenyl]-[1]benzofuro[3,2-a]carbazole;14-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-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;14-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-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

C186H116N16O2S2 — CID 164985510

About 4-dibenzothiophen-1-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]carbazole;12-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenylphenyl]-[1]benzofuro[3,2-a]carbazole;14-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-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;14-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-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

4-dibenzothiophen-1-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]carbazole;12-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenylphenyl]-[1]benzofuro[3,2-a]carbazole;14-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-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;14-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-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 164985510) has the molecular formula C186H116N16O2S2 and a molecular weight of 2671.22 g/mol. Its IUPAC name is 4-dibenzothiophen-1-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]carbazole;12-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenylphenyl]-[1]benzofuro[3,2-a]carbazole;14-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-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;14-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-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: 4-dibenzothiophen-1-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]carbazole;12-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenylphenyl]-[1]benzofuro[3,2-a]carbazole;14-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-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;14-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-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: 164985510
• Molecular Formula: C186H116N16O2S2
• Molecular Weight: 2671.22 g/mol
• Exact Mass: 2668.89
• IUPAC Name: 4-dibenzothiophen-1-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]carbazole;12-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenylphenyl]-[1]benzofuro[3,2-a]carbazole;14-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-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;14-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-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(-c3ccc(-n4c5ccccc5c5c(-c6cccc7sc8ccccc8c67)cccc54)c(-c4ccccc4)c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5c6c(ccc54)oc4ccccc46)c(-c4ccccc4)c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5c6c(ccc54)sc4ccccc46)c(-c4ccccc4)c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccccc4)c3-n3c4ccccc4c4ccc5oc6ccccc6c5c43)n2)cc1
• InChI: InChI=1S/C51H32N4S.2C45H28N4O.C45H28N4S/c1-4-16-33(17-5-1)41-32-36(51-53-49(34-18-6-2-7-19-34)52-50(54-51)35-20-8-3-9-21-35)30-31-43(41)55-42-26-12-10-22-39(42)47-37(24-14-27-44(47)55)38-25-15-29-46-48(38)40-23-11-13-28-45(40)56-46;1-4-15-29(16-5-1)32-23-14-24-36(45-47-43(30-17-6-2-7-18-30)46-44(48-45)31-19-8-3-9-20-31)41(32)49-37-25-12-10-21-33(37)34-27-28-39-40(42(34)49)35-22-11-13-26-38(35)50-39;2*1-4-14-29(15-5-1)35-28-32(45-47-43(30-16-6-2-7-17-30)46-44(48-45)31-18-8-3-9-19-31)24-25-37(35)49-36-22-12-10-20-33(36)41-38(49)26-27-40-42(41)34-21-11-13-23-39(34)50-40/h1-32H;3*1-28H
• InChIKey: GCIMGVBPLOBISG-UHFFFAOYSA-N
• XLogP: 48.75
• TPSA: 200.68 Ų
• H-Bond Acceptors: 20
• Rotatable Bonds: 21
• Heavy Atoms: 206
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2671.22
LogP ≤ 5	48.75
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of 4-dibenzothiophen-1-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]carbazole;12-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenylphenyl]-[1]benzofuro[3,2-a]carbazole;14-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-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;14-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-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 4-dibenzothiophen-1-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]carbazole;12-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenylphenyl]-[1]benzofuro[3,2-a]carbazole;14-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-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;14-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-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 164985510) is 4-dibenzothiophen-1-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]carbazole;12-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenylphenyl]-[1]benzofuro[3,2-a]carbazole;14-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-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;14-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-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 4-dibenzothiophen-1-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]carbazole;12-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenylphenyl]-[1]benzofuro[3,2-a]carbazole;14-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-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;14-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-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 4-dibenzothiophen-1-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]carbazole;12-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenylphenyl]-[1]benzofuro[3,2-a]carbazole;14-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-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;14-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-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(-c3ccc(-n4c5ccccc5c5c(-c6cccc7sc8ccccc8c67)cccc54)c(-c4ccccc4)c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5c6c(ccc54)oc4ccccc46)c(-c4ccccc4)c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5c6c(ccc54)sc4ccccc46)c(-c4ccccc4)c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccccc4)c3-n3c4ccccc4c4ccc5oc6ccccc6c5c43)n2)cc1.

What is the InChIKey of 4-dibenzothiophen-1-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]carbazole;12-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenylphenyl]-[1]benzofuro[3,2-a]carbazole;14-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-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;14-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-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 GCIMGVBPLOBISG-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H32N4S.2C45H28N4O.C45H28N4S/c1-4-16-33(17-5-1)41-32-36(51-53-49(34-18-6-2-7-19-34)52-50(54-51)35-20-8-3-9-21-35)30-31-43(41)55-42-26-12-10-22-39(42)47-37(24-14-27-44(47)55)38-25-15-29-46-48(38)40-23-11-13-28-45(40)56-46;1-4-15-29(16-5-1)32-23-14-24-36(45-47-43(30-17-6-2-7-18-30)46-44(48-45)31-19-8-3-9-20-31)41(32)49-37-25-12-10-21-33(37)34-27-28-39-40(42(34)49)35-22-11-13-26-38(35)50-39;2*1-4-14-29(15-5-1)35-28-32(45-47-43(30-16-6-2-7-17-30)46-44(48-45)31-18-8-3-9-19-31)24-25-37(35)49-36-22-12-10-20-33(36)41-38(49)26-27-40-42(41)34-21-11-13-23-39(34)50-40/h1-32H;3*1-28H.

What are the key properties of 4-dibenzothiophen-1-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]carbazole;12-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenylphenyl]-[1]benzofuro[3,2-a]carbazole;14-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-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;14-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-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?

4-dibenzothiophen-1-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]carbazole;12-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenylphenyl]-[1]benzofuro[3,2-a]carbazole;14-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-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;14-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-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 2671.22 g/mol, XLogP of 48.75, 21 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 4-dibenzothiophen-1-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]carbazole;12-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenylphenyl]-[1]benzofuro[3,2-a]carbazole;14-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-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;14-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-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 164985510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).