12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(4-phenylcarbazol-9-yl)-[1]benzofuro[2,3-a]carbazole;12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-(4-phenylcarbazol-9-yl)-[1]benzothiolo[2,3-a]carbazole;7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(3-phenylcarbazol-9-yl)-[1]benzothiolo[2,3-b]carbazole;11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(3-phenylcarbazol-9-yl)-[1]benzothiolo[3,2-b]carbazole;14-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-17-(4-phenylcarbazol-9-yl)-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene

C285H175N25O2S3 — CID 163769068

About 12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(4-phenylcarbazol-9-yl)-[1]benzofuro[2,3-a]carbazole;12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-(4-phenylcarbazol-9-yl)-[1]benzothiolo[2,3-a]carbazole;7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(3-phenylcarbazol-9-yl)-[1]benzothiolo[2,3-b]carbazole;11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(3-phenylcarbazol-9-yl)-[1]benzothiolo[3,2-b]carbazole;14-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-17-(4-phenylcarbazol-9-yl)-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene

12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(4-phenylcarbazol-9-yl)-[1]benzofuro[2,3-a]carbazole;12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-(4-phenylcarbazol-9-yl)-[1]benzothiolo[2,3-a]carbazole;7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(3-phenylcarbazol-9-yl)-[1]benzothiolo[2,3-b]carbazole;11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(3-phenylcarbazol-9-yl)-[1]benzothiolo[3,2-b]carbazole;14-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-17-(4-phenylcarbazol-9-yl)-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene (PubChem CID 163769068) has the molecular formula C285H175N25O2S3 and a molecular weight of 4077.91 g/mol. Its IUPAC name is 12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(4-phenylcarbazol-9-yl)-[1]benzofuro[2,3-a]carbazole;12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-(4-phenylcarbazol-9-yl)-[1]benzothiolo[2,3-a]carbazole;7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(3-phenylcarbazol-9-yl)-[1]benzothiolo[2,3-b]carbazole;11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(3-phenylcarbazol-9-yl)-[1]benzothiolo[3,2-b]carbazole;14-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-17-(4-phenylcarbazol-9-yl)-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene.

Molecular Properties

• Compound Name: 12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(4-phenylcarbazol-9-yl)-[1]benzofuro[2,3-a]carbazole;12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-(4-phenylcarbazol-9-yl)-[1]benzothiolo[2,3-a]carbazole;7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(3-phenylcarbazol-9-yl)-[1]benzothiolo[2,3-b]carbazole;11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(3-phenylcarbazol-9-yl)-[1]benzothiolo[3,2-b]carbazole;14-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-17-(4-phenylcarbazol-9-yl)-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene
• PubChem CID: 163769068
• Molecular Formula: C285H175N25O2S3
• Molecular Weight: 4077.91 g/mol
• Exact Mass: 4074.35
• IUPAC Name: 12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(4-phenylcarbazol-9-yl)-[1]benzofuro[2,3-a]carbazole;12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-(4-phenylcarbazol-9-yl)-[1]benzothiolo[2,3-a]carbazole;7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(3-phenylcarbazol-9-yl)-[1]benzothiolo[2,3-b]carbazole;11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(3-phenylcarbazol-9-yl)-[1]benzothiolo[3,2-b]carbazole;14-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-17-(4-phenylcarbazol-9-yl)-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene
• SMILES: c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc3c(c2)sc2cc4c(cc23)c2ccccc2n4-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)cc1.c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc3c(c2)sc2cc4c5ccccc5n(-c5cccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5)c4cc23)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5cc(-n6c7ccccc7c7c(-c8ccccc8)cccc76)ccc5c5c6c(ccc54)oc4ccccc46)c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5cc(-n6c7ccccc7c7c(-c8ccccc8)cccc76)ccc5c5ccc6c7ccccc7oc6c54)c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5ccc6c7ccc(-n8c9ccccc9c9c(-c%10ccccc%10)cccc98)cc7sc6c54)c3)n2)cc1
• InChI: InChI=1S/2C57H35N5O.3C57H35N5S/c1-4-16-36(17-5-1)42-26-15-28-49-52(42)47-25-10-12-27-48(47)61(49)41-30-31-43-45-32-33-46-44-24-11-13-29-51(44)63-54(46)53(45)62(50(43)35-41)40-23-14-22-39(34-40)57-59-55(37-18-6-2-7-19-37)58-56(60-57)38-20-8-3-9-21-38;1-4-16-36(17-5-1)42-26-15-28-47-52(42)43-24-10-12-27-46(43)61(47)41-30-31-44-49(35-41)62(48-32-33-51-54(53(44)48)45-25-11-13-29-50(45)63-51)40-23-14-22-39(34-40)57-59-55(37-18-6-2-7-19-37)58-56(60-57)38-20-8-3-9-21-38;1-4-16-36(17-5-1)42-26-15-29-50-52(42)47-25-11-13-28-49(47)61(50)41-30-31-44-46-33-32-45-43-24-10-12-27-48(43)62(53(45)54(46)63-51(44)35-41)40-23-14-22-39(34-40)57-59-55(37-18-6-2-7-19-37)58-56(60-57)38-20-8-3-9-21-38;1-4-15-36(16-5-1)39-27-30-51-46(32-39)43-23-10-12-25-49(43)61(51)42-28-29-45-48-34-52-47(35-54(48)63-53(45)33-42)44-24-11-13-26-50(44)62(52)41-22-14-21-40(31-41)57-59-55(37-17-6-2-7-18-37)58-56(60-57)38-19-8-3-9-20-38;1-4-15-36(16-5-1)39-27-30-51-46(32-39)43-23-10-12-25-49(43)61(51)42-28-29-45-48-34-47-44-24-11-13-26-50(44)62(52(47)35-54(48)63-53(45)33-42)41-22-14-21-40(31-41)57-59-55(37-17-6-2-7-18-37)58-56(60-57)38-19-8-3-9-20-38/h5*1-35H
• InChIKey: MEWALKKPSVVDIP-UHFFFAOYSA-N
• XLogP: 74.57
• TPSA: 268.93 Ų
• H-Bond Acceptors: 30
• Rotatable Bonds: 30
• Heavy Atoms: 315
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4077.91
LogP ≤ 5	74.57
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	30

Frequently Asked Questions

What is the IUPAC name of 12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(4-phenylcarbazol-9-yl)-[1]benzofuro[2,3-a]carbazole;12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-(4-phenylcarbazol-9-yl)-[1]benzothiolo[2,3-a]carbazole;7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(3-phenylcarbazol-9-yl)-[1]benzothiolo[2,3-b]carbazole;11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(3-phenylcarbazol-9-yl)-[1]benzothiolo[3,2-b]carbazole;14-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-17-(4-phenylcarbazol-9-yl)-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene?

The IUPAC name of 12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(4-phenylcarbazol-9-yl)-[1]benzofuro[2,3-a]carbazole;12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-(4-phenylcarbazol-9-yl)-[1]benzothiolo[2,3-a]carbazole;7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(3-phenylcarbazol-9-yl)-[1]benzothiolo[2,3-b]carbazole;11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(3-phenylcarbazol-9-yl)-[1]benzothiolo[3,2-b]carbazole;14-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-17-(4-phenylcarbazol-9-yl)-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene (CID 163769068) is 12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(4-phenylcarbazol-9-yl)-[1]benzofuro[2,3-a]carbazole;12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-(4-phenylcarbazol-9-yl)-[1]benzothiolo[2,3-a]carbazole;7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(3-phenylcarbazol-9-yl)-[1]benzothiolo[2,3-b]carbazole;11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(3-phenylcarbazol-9-yl)-[1]benzothiolo[3,2-b]carbazole;14-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-17-(4-phenylcarbazol-9-yl)-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene.

What is the SMILES notation for 12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(4-phenylcarbazol-9-yl)-[1]benzofuro[2,3-a]carbazole;12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-(4-phenylcarbazol-9-yl)-[1]benzothiolo[2,3-a]carbazole;7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(3-phenylcarbazol-9-yl)-[1]benzothiolo[2,3-b]carbazole;11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(3-phenylcarbazol-9-yl)-[1]benzothiolo[3,2-b]carbazole;14-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-17-(4-phenylcarbazol-9-yl)-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene?

The canonical SMILES for 12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(4-phenylcarbazol-9-yl)-[1]benzofuro[2,3-a]carbazole;12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-(4-phenylcarbazol-9-yl)-[1]benzothiolo[2,3-a]carbazole;7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(3-phenylcarbazol-9-yl)-[1]benzothiolo[2,3-b]carbazole;11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(3-phenylcarbazol-9-yl)-[1]benzothiolo[3,2-b]carbazole;14-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-17-(4-phenylcarbazol-9-yl)-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene is c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc3c(c2)sc2cc4c(cc23)c2ccccc2n4-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)cc1.c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc3c(c2)sc2cc4c5ccccc5n(-c5cccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5)c4cc23)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5cc(-n6c7ccccc7c7c(-c8ccccc8)cccc76)ccc5c5c6c(ccc54)oc4ccccc46)c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5cc(-n6c7ccccc7c7c(-c8ccccc8)cccc76)ccc5c5ccc6c7ccccc7oc6c54)c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5ccc6c7ccc(-n8c9ccccc9c9c(-c%10ccccc%10)cccc98)cc7sc6c54)c3)n2)cc1.

What is the InChIKey of 12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(4-phenylcarbazol-9-yl)-[1]benzofuro[2,3-a]carbazole;12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-(4-phenylcarbazol-9-yl)-[1]benzothiolo[2,3-a]carbazole;7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(3-phenylcarbazol-9-yl)-[1]benzothiolo[2,3-b]carbazole;11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(3-phenylcarbazol-9-yl)-[1]benzothiolo[3,2-b]carbazole;14-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-17-(4-phenylcarbazol-9-yl)-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene?

The InChIKey is MEWALKKPSVVDIP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C57H35N5O.3C57H35N5S/c1-4-16-36(17-5-1)42-26-15-28-49-52(42)47-25-10-12-27-48(47)61(49)41-30-31-43-45-32-33-46-44-24-11-13-29-51(44)63-54(46)53(45)62(50(43)35-41)40-23-14-22-39(34-40)57-59-55(37-18-6-2-7-19-37)58-56(60-57)38-20-8-3-9-21-38;1-4-16-36(17-5-1)42-26-15-28-47-52(42)43-24-10-12-27-46(43)61(47)41-30-31-44-49(35-41)62(48-32-33-51-54(53(44)48)45-25-11-13-29-50(45)63-51)40-23-14-22-39(34-40)57-59-55(37-18-6-2-7-19-37)58-56(60-57)38-20-8-3-9-21-38;1-4-16-36(17-5-1)42-26-15-29-50-52(42)47-25-11-13-28-49(47)61(50)41-30-31-44-46-33-32-45-43-24-10-12-27-48(43)62(53(45)54(46)63-51(44)35-41)40-23-14-22-39(34-40)57-59-55(37-18-6-2-7-19-37)58-56(60-57)38-20-8-3-9-21-38;1-4-15-36(16-5-1)39-27-30-51-46(32-39)43-23-10-12-25-49(43)61(51)42-28-29-45-48-34-52-47(35-54(48)63-53(45)33-42)44-24-11-13-26-50(44)62(52)41-22-14-21-40(31-41)57-59-55(37-17-6-2-7-18-37)58-56(60-57)38-19-8-3-9-20-38;1-4-15-36(16-5-1)39-27-30-51-46(32-39)43-23-10-12-25-49(43)61(51)42-28-29-45-48-34-47-44-24-11-13-26-50(44)62(52(47)35-54(48)63-53(45)33-42)41-22-14-21-40(31-41)57-59-55(37-17-6-2-7-18-37)58-56(60-57)38-19-8-3-9-20-38/h5*1-35H.

What are the key properties of 12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(4-phenylcarbazol-9-yl)-[1]benzofuro[2,3-a]carbazole;12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-(4-phenylcarbazol-9-yl)-[1]benzothiolo[2,3-a]carbazole;7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(3-phenylcarbazol-9-yl)-[1]benzothiolo[2,3-b]carbazole;11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(3-phenylcarbazol-9-yl)-[1]benzothiolo[3,2-b]carbazole;14-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-17-(4-phenylcarbazol-9-yl)-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene?

12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(4-phenylcarbazol-9-yl)-[1]benzofuro[2,3-a]carbazole;12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-(4-phenylcarbazol-9-yl)-[1]benzothiolo[2,3-a]carbazole;7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(3-phenylcarbazol-9-yl)-[1]benzothiolo[2,3-b]carbazole;11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(3-phenylcarbazol-9-yl)-[1]benzothiolo[3,2-b]carbazole;14-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-17-(4-phenylcarbazol-9-yl)-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene has a molecular weight of 4077.91 g/mol, XLogP of 74.57, 30 rotatable bonds, 0 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(4-phenylcarbazol-9-yl)-[1]benzofuro[2,3-a]carbazole;12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-(4-phenylcarbazol-9-yl)-[1]benzothiolo[2,3-a]carbazole;7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(3-phenylcarbazol-9-yl)-[1]benzothiolo[2,3-b]carbazole;11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(3-phenylcarbazol-9-yl)-[1]benzothiolo[3,2-b]carbazole;14-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-17-(4-phenylcarbazol-9-yl)-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene is sourced from PubChem (CID 163769068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).