12-[1-[4-dibenzofuran-2-yl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene;5-[7-[4-dibenzothiophen-2-yl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]naphtho[1,2-b][1]benzofuran-9-yl]benzo[b]carbazole;5-[7-[4,6-di(dibenzofuran-4-yl)-1,3,5-triazin-2-yl]naphtho[1,2-b][1]benzofuran-9-yl]benzo[b]carbazole

C189H106N14O6S — CID 165050037

About 12-[1-[4-dibenzofuran-2-yl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene;5-[7-[4-dibenzothiophen-2-yl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]naphtho[1,2-b][1]benzofuran-9-yl]benzo[b]carbazole;5-[7-[4,6-di(dibenzofuran-4-yl)-1,3,5-triazin-2-yl]naphtho[1,2-b][1]benzofuran-9-yl]benzo[b]carbazole

12-[1-[4-dibenzofuran-2-yl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene;5-[7-[4-dibenzothiophen-2-yl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]naphtho[1,2-b][1]benzofuran-9-yl]benzo[b]carbazole;5-[7-[4,6-di(dibenzofuran-4-yl)-1,3,5-triazin-2-yl]naphtho[1,2-b][1]benzofuran-9-yl]benzo[b]carbazole (PubChem CID 165050037) has the molecular formula C189H106N14O6S and a molecular weight of 2701.09 g/mol. Its IUPAC name is 12-[1-[4-dibenzofuran-2-yl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene;5-[7-[4-dibenzothiophen-2-yl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]naphtho[1,2-b][1]benzofuran-9-yl]benzo[b]carbazole;5-[7-[4,6-di(dibenzofuran-4-yl)-1,3,5-triazin-2-yl]naphtho[1,2-b][1]benzofuran-9-yl]benzo[b]carbazole.

Molecular Properties

• Compound Name: 12-[1-[4-dibenzofuran-2-yl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene;5-[7-[4-dibenzothiophen-2-yl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]naphtho[1,2-b][1]benzofuran-9-yl]benzo[b]carbazole;5-[7-[4,6-di(dibenzofuran-4-yl)-1,3,5-triazin-2-yl]naphtho[1,2-b][1]benzofuran-9-yl]benzo[b]carbazole
• PubChem CID: 165050037
• Molecular Formula: C189H106N14O6S
• Molecular Weight: 2701.09 g/mol
• Exact Mass: 2698.81
• IUPAC Name: 12-[1-[4-dibenzofuran-2-yl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene;5-[7-[4-dibenzothiophen-2-yl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]naphtho[1,2-b][1]benzofuran-9-yl]benzo[b]carbazole;5-[7-[4,6-di(dibenzofuran-4-yl)-1,3,5-triazin-2-yl]naphtho[1,2-b][1]benzofuran-9-yl]benzo[b]carbazole
• SMILES: c1ccc(-n2c3ccccc3c3ccc(-c4nc(-c5ccc6oc7ccccc7c6c5)nc(-c5cc(-n6c7cc8ccccc8cc7c7c8ccccc8ccc76)cc6oc7ccccc7c56)n4)cc32)cc1.c1ccc(-n2c3ccccc3c3ccc(-c4nc(-c5ccc6sc7ccccc7c6c5)nc(-c5cc(-n6c7ccccc7c7cc8ccccc8cc76)cc6oc7c8ccccc8ccc7c56)n4)cc32)cc1.c1ccc2cc3c(cc2c1)c1ccccc1n3-c1cc(-c2nc(-c3cccc4c3oc3ccccc34)nc(-c3cccc4c3oc3ccccc34)n2)c2c(c1)oc1c3ccccc3ccc12
• InChI: InChI=1S/C65H37N5O2.C65H37N5OS.C59H32N4O3/c1-2-17-43(18-3-1)69-53-23-11-8-20-46(53)47-29-26-42(35-55(47)69)64-66-63(41-28-31-59-50(33-41)48-21-9-12-24-57(48)71-59)67-65(68-64)52-36-44(37-60-62(52)49-22-10-13-25-58(49)72-60)70-54-30-27-38-14-6-7-19-45(38)61(54)51-32-39-15-4-5-16-40(39)34-56(51)70;1-2-17-43(18-3-1)69-54-23-11-8-20-46(54)48-29-27-42(35-56(48)69)64-66-63(41-28-31-60-52(33-41)49-22-10-13-25-59(49)72-60)67-65(68-64)53-36-44(37-58-61(53)50-30-26-38-14-6-7-19-45(38)62(50)71-58)70-55-24-12-9-21-47(55)51-32-39-15-4-5-16-40(39)34-57(51)70;1-2-15-35-30-49-46(29-34(35)14-1)38-17-5-8-24-48(38)63(49)36-31-47(53-43-28-27-33-13-3-4-16-37(33)54(43)66-52(53)32-36)59-61-57(44-22-11-20-41-39-18-6-9-25-50(39)64-55(41)44)60-58(62-59)45-23-12-21-42-40-19-7-10-26-51(40)65-56(42)45/h2*1-37H;1-32H
• InChIKey: PNDANZAXPNAXIF-UHFFFAOYSA-N
• XLogP: 50.79
• TPSA: 219.50 Ų
• H-Bond Acceptors: 21
• Rotatable Bonds: 14
• Heavy Atoms: 210
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2701.09
LogP ≤ 5	50.79
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of 12-[1-[4-dibenzofuran-2-yl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene;5-[7-[4-dibenzothiophen-2-yl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]naphtho[1,2-b][1]benzofuran-9-yl]benzo[b]carbazole;5-[7-[4,6-di(dibenzofuran-4-yl)-1,3,5-triazin-2-yl]naphtho[1,2-b][1]benzofuran-9-yl]benzo[b]carbazole?

The IUPAC name of 12-[1-[4-dibenzofuran-2-yl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene;5-[7-[4-dibenzothiophen-2-yl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]naphtho[1,2-b][1]benzofuran-9-yl]benzo[b]carbazole;5-[7-[4,6-di(dibenzofuran-4-yl)-1,3,5-triazin-2-yl]naphtho[1,2-b][1]benzofuran-9-yl]benzo[b]carbazole (CID 165050037) is 12-[1-[4-dibenzofuran-2-yl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene;5-[7-[4-dibenzothiophen-2-yl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]naphtho[1,2-b][1]benzofuran-9-yl]benzo[b]carbazole;5-[7-[4,6-di(dibenzofuran-4-yl)-1,3,5-triazin-2-yl]naphtho[1,2-b][1]benzofuran-9-yl]benzo[b]carbazole.

What is the SMILES notation for 12-[1-[4-dibenzofuran-2-yl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene;5-[7-[4-dibenzothiophen-2-yl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]naphtho[1,2-b][1]benzofuran-9-yl]benzo[b]carbazole;5-[7-[4,6-di(dibenzofuran-4-yl)-1,3,5-triazin-2-yl]naphtho[1,2-b][1]benzofuran-9-yl]benzo[b]carbazole?

The canonical SMILES for 12-[1-[4-dibenzofuran-2-yl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene;5-[7-[4-dibenzothiophen-2-yl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]naphtho[1,2-b][1]benzofuran-9-yl]benzo[b]carbazole;5-[7-[4,6-di(dibenzofuran-4-yl)-1,3,5-triazin-2-yl]naphtho[1,2-b][1]benzofuran-9-yl]benzo[b]carbazole is c1ccc(-n2c3ccccc3c3ccc(-c4nc(-c5ccc6oc7ccccc7c6c5)nc(-c5cc(-n6c7cc8ccccc8cc7c7c8ccccc8ccc76)cc6oc7ccccc7c56)n4)cc32)cc1.c1ccc(-n2c3ccccc3c3ccc(-c4nc(-c5ccc6sc7ccccc7c6c5)nc(-c5cc(-n6c7ccccc7c7cc8ccccc8cc76)cc6oc7c8ccccc8ccc7c56)n4)cc32)cc1.c1ccc2cc3c(cc2c1)c1ccccc1n3-c1cc(-c2nc(-c3cccc4c3oc3ccccc34)nc(-c3cccc4c3oc3ccccc34)n2)c2c(c1)oc1c3ccccc3ccc12.

What is the InChIKey of 12-[1-[4-dibenzofuran-2-yl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene;5-[7-[4-dibenzothiophen-2-yl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]naphtho[1,2-b][1]benzofuran-9-yl]benzo[b]carbazole;5-[7-[4,6-di(dibenzofuran-4-yl)-1,3,5-triazin-2-yl]naphtho[1,2-b][1]benzofuran-9-yl]benzo[b]carbazole?

The InChIKey is PNDANZAXPNAXIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H37N5O2.C65H37N5OS.C59H32N4O3/c1-2-17-43(18-3-1)69-53-23-11-8-20-46(53)47-29-26-42(35-55(47)69)64-66-63(41-28-31-59-50(33-41)48-21-9-12-24-57(48)71-59)67-65(68-64)52-36-44(37-60-62(52)49-22-10-13-25-58(49)72-60)70-54-30-27-38-14-6-7-19-45(38)61(54)51-32-39-15-4-5-16-40(39)34-56(51)70;1-2-17-43(18-3-1)69-54-23-11-8-20-46(54)48-29-27-42(35-56(48)69)64-66-63(41-28-31-60-52(33-41)49-22-10-13-25-59(49)72-60)67-65(68-64)53-36-44(37-58-61(53)50-30-26-38-14-6-7-19-45(38)62(50)71-58)70-55-24-12-9-21-47(55)51-32-39-15-4-5-16-40(39)34-57(51)70;1-2-15-35-30-49-46(29-34(35)14-1)38-17-5-8-24-48(38)63(49)36-31-47(53-43-28-27-33-13-3-4-16-37(33)54(43)66-52(53)32-36)59-61-57(44-22-11-20-41-39-18-6-9-25-50(39)64-55(41)44)60-58(62-59)45-23-12-21-42-40-19-7-10-26-51(40)65-56(42)45/h2*1-37H;1-32H.

What are the key properties of 12-[1-[4-dibenzofuran-2-yl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene;5-[7-[4-dibenzothiophen-2-yl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]naphtho[1,2-b][1]benzofuran-9-yl]benzo[b]carbazole;5-[7-[4,6-di(dibenzofuran-4-yl)-1,3,5-triazin-2-yl]naphtho[1,2-b][1]benzofuran-9-yl]benzo[b]carbazole?

12-[1-[4-dibenzofuran-2-yl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene;5-[7-[4-dibenzothiophen-2-yl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]naphtho[1,2-b][1]benzofuran-9-yl]benzo[b]carbazole;5-[7-[4,6-di(dibenzofuran-4-yl)-1,3,5-triazin-2-yl]naphtho[1,2-b][1]benzofuran-9-yl]benzo[b]carbazole has a molecular weight of 2701.09 g/mol, XLogP of 50.79, 14 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 12-[1-[4-dibenzofuran-2-yl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene;5-[7-[4-dibenzothiophen-2-yl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]naphtho[1,2-b][1]benzofuran-9-yl]benzo[b]carbazole;5-[7-[4,6-di(dibenzofuran-4-yl)-1,3,5-triazin-2-yl]naphtho[1,2-b][1]benzofuran-9-yl]benzo[b]carbazole is sourced from PubChem (CID 165050037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).