12-[1-(4-dibenzothiophen-3-yl-6-naphthalen-1-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-3-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-9-yl]benzo[b]carbazole;5-[1-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,3-b][1]benzofuran-3-yl]benzo[b]carbazole

C167H94N12O3S3 — CID 165109374

About 12-[1-(4-dibenzothiophen-3-yl-6-naphthalen-1-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-3-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-9-yl]benzo[b]carbazole;5-[1-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,3-b][1]benzofuran-3-yl]benzo[b]carbazole

12-[1-(4-dibenzothiophen-3-yl-6-naphthalen-1-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-3-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-9-yl]benzo[b]carbazole;5-[1-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,3-b][1]benzofuran-3-yl]benzo[b]carbazole (PubChem CID 165109374) has the molecular formula C167H94N12O3S3 and a molecular weight of 2412.87 g/mol. Its IUPAC name is 12-[1-(4-dibenzothiophen-3-yl-6-naphthalen-1-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-3-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-9-yl]benzo[b]carbazole;5-[1-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,3-b][1]benzofuran-3-yl]benzo[b]carbazole.

Molecular Properties

• Compound Name: 12-[1-(4-dibenzothiophen-3-yl-6-naphthalen-1-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-3-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-9-yl]benzo[b]carbazole;5-[1-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,3-b][1]benzofuran-3-yl]benzo[b]carbazole
• PubChem CID: 165109374
• Molecular Formula: C167H94N12O3S3
• Molecular Weight: 2412.87 g/mol
• Exact Mass: 2410.67
• IUPAC Name: 12-[1-(4-dibenzothiophen-3-yl-6-naphthalen-1-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-3-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-9-yl]benzo[b]carbazole;5-[1-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,3-b][1]benzofuran-3-yl]benzo[b]carbazole
• SMILES: c1ccc(-c2nc(-c3ccc4c(c3)sc3ccccc34)nc(-c3cc(-n4c5ccccc5c5cc6ccccc6cc54)cc4oc5cc6ccccc6cc5c34)n2)cc1.c1ccc2cc(-c3nc(-c4ccc5c(c4)sc4ccccc45)nc(-c4cc(-n5c6ccccc6c6cc7ccccc7cc65)cc5oc6c7ccccc7ccc6c45)n3)ccc2c1.c1ccc2cc3c(cc2c1)c1c2ccccc2ccc1n3-c1cc(-c2nc(-c3ccc4c(c3)sc3ccccc34)nc(-c3cccc4ccccc34)n2)c2c(c1)oc1ccccc12
• InChI: InChI=1S/2C57H32N4OS.C53H30N4OS/c1-2-15-36-29-48-45(28-35(36)14-1)53-40-18-6-4-13-34(40)25-27-47(53)61(48)38-31-46(54-44-20-7-9-22-49(44)62-50(54)32-38)57-59-55(37-24-26-42-41-19-8-10-23-51(41)63-52(42)30-37)58-56(60-57)43-21-11-16-33-12-3-5-17-39(33)43;1-2-13-35-27-38(22-21-33(35)11-1)55-58-56(39-24-25-44-43-18-8-10-20-51(43)63-52(44)30-39)60-57(59-55)47-31-40(32-50-53(47)45-26-23-34-12-5-6-16-41(34)54(45)62-50)61-48-19-9-7-17-42(48)46-28-36-14-3-4-15-37(36)29-49(46)61;1-2-12-31(13-3-1)51-54-52(36-22-23-40-39-19-9-11-21-48(39)59-49(40)28-36)56-53(55-51)43-29-37(30-47-50(43)42-25-33-15-5-7-17-35(33)27-46(42)58-47)57-44-20-10-8-18-38(44)41-24-32-14-4-6-16-34(32)26-45(41)57/h2*1-32H;1-30H
• InChIKey: ZRPFKXXARPYNKS-UHFFFAOYSA-N
• XLogP: 45.94
• TPSA: 170.22 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 12
• Heavy Atoms: 185
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2412.87
LogP ≤ 5	45.94
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of 12-[1-(4-dibenzothiophen-3-yl-6-naphthalen-1-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-3-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-9-yl]benzo[b]carbazole;5-[1-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,3-b][1]benzofuran-3-yl]benzo[b]carbazole?

The IUPAC name of 12-[1-(4-dibenzothiophen-3-yl-6-naphthalen-1-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-3-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-9-yl]benzo[b]carbazole;5-[1-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,3-b][1]benzofuran-3-yl]benzo[b]carbazole (CID 165109374) is 12-[1-(4-dibenzothiophen-3-yl-6-naphthalen-1-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-3-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-9-yl]benzo[b]carbazole;5-[1-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,3-b][1]benzofuran-3-yl]benzo[b]carbazole.

What is the SMILES notation for 12-[1-(4-dibenzothiophen-3-yl-6-naphthalen-1-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-3-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-9-yl]benzo[b]carbazole;5-[1-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,3-b][1]benzofuran-3-yl]benzo[b]carbazole?

The canonical SMILES for 12-[1-(4-dibenzothiophen-3-yl-6-naphthalen-1-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-3-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-9-yl]benzo[b]carbazole;5-[1-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,3-b][1]benzofuran-3-yl]benzo[b]carbazole is c1ccc(-c2nc(-c3ccc4c(c3)sc3ccccc34)nc(-c3cc(-n4c5ccccc5c5cc6ccccc6cc54)cc4oc5cc6ccccc6cc5c34)n2)cc1.c1ccc2cc(-c3nc(-c4ccc5c(c4)sc4ccccc45)nc(-c4cc(-n5c6ccccc6c6cc7ccccc7cc65)cc5oc6c7ccccc7ccc6c45)n3)ccc2c1.c1ccc2cc3c(cc2c1)c1c2ccccc2ccc1n3-c1cc(-c2nc(-c3ccc4c(c3)sc3ccccc34)nc(-c3cccc4ccccc34)n2)c2c(c1)oc1ccccc12.

What is the InChIKey of 12-[1-(4-dibenzothiophen-3-yl-6-naphthalen-1-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-3-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-9-yl]benzo[b]carbazole;5-[1-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,3-b][1]benzofuran-3-yl]benzo[b]carbazole?

The InChIKey is ZRPFKXXARPYNKS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C57H32N4OS.C53H30N4OS/c1-2-15-36-29-48-45(28-35(36)14-1)53-40-18-6-4-13-34(40)25-27-47(53)61(48)38-31-46(54-44-20-7-9-22-49(44)62-50(54)32-38)57-59-55(37-24-26-42-41-19-8-10-23-51(41)63-52(42)30-37)58-56(60-57)43-21-11-16-33-12-3-5-17-39(33)43;1-2-13-35-27-38(22-21-33(35)11-1)55-58-56(39-24-25-44-43-18-8-10-20-51(43)63-52(44)30-39)60-57(59-55)47-31-40(32-50-53(47)45-26-23-34-12-5-6-16-41(34)54(45)62-50)61-48-19-9-7-17-42(48)46-28-36-14-3-4-15-37(36)29-49(46)61;1-2-12-31(13-3-1)51-54-52(36-22-23-40-39-19-9-11-21-48(39)59-49(40)28-36)56-53(55-51)43-29-37(30-47-50(43)42-25-33-15-5-7-17-35(33)27-46(42)58-47)57-44-20-10-8-18-38(44)41-24-32-14-4-6-16-34(32)26-45(41)57/h2*1-32H;1-30H.

What are the key properties of 12-[1-(4-dibenzothiophen-3-yl-6-naphthalen-1-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-3-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-9-yl]benzo[b]carbazole;5-[1-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,3-b][1]benzofuran-3-yl]benzo[b]carbazole?

12-[1-(4-dibenzothiophen-3-yl-6-naphthalen-1-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-3-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-9-yl]benzo[b]carbazole;5-[1-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,3-b][1]benzofuran-3-yl]benzo[b]carbazole has a molecular weight of 2412.87 g/mol, XLogP of 45.94, 12 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 12-[1-(4-dibenzothiophen-3-yl-6-naphthalen-1-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-3-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-9-yl]benzo[b]carbazole;5-[1-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,3-b][1]benzofuran-3-yl]benzo[b]carbazole is sourced from PubChem (CID 165109374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).