20-[8-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]dibenzofuran-1-yl]-24-phenyl-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaene;24-phenyl-20-[8-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]dibenzofuran-1-yl]-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaene

C133H77N9O2S2 — CID 159718900

About 20-[8-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]dibenzofuran-1-yl]-24-phenyl-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaene;24-phenyl-20-[8-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]dibenzofuran-1-yl]-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaene

20-[8-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]dibenzofuran-1-yl]-24-phenyl-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaene;24-phenyl-20-[8-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]dibenzofuran-1-yl]-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaene (PubChem CID 159718900) has the molecular formula C133H77N9O2S2 and a molecular weight of 1897.27 g/mol. Its IUPAC name is 20-[8-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]dibenzofuran-1-yl]-24-phenyl-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaene;24-phenyl-20-[8-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]dibenzofuran-1-yl]-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaene.

Molecular Properties

• Compound Name: 20-[8-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]dibenzofuran-1-yl]-24-phenyl-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaene;24-phenyl-20-[8-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]dibenzofuran-1-yl]-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaene
• PubChem CID: 159718900
• Molecular Formula: C133H77N9O2S2
• Molecular Weight: 1897.27 g/mol
• Exact Mass: 1895.56
• IUPAC Name: 20-[8-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]dibenzofuran-1-yl]-24-phenyl-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaene;24-phenyl-20-[8-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]dibenzofuran-1-yl]-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaene
• SMILES: c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5ccc6oc7cccc(-c8ccc9c(c8)c8c%10ccccc%10c%10c%11ccccc%11sc%10c8n9-c8ccccc8)c7c6c5)ccc43)n2)cc1.c1ccc(-c2nc(-n3c4ccccc4c4cc(-c5ccc6oc7cccc(-c8ccc9c(c8)c8c%10ccccc%10c%10c%11ccccc%11sc%10c8n9-c8ccccc8)c7c6c5)ccc43)nc3ccccc23)cc1
• InChI: InChI=1S/C67H39N5OS.C66H38N4OS/c1-4-17-40(18-5-1)65-68-66(41-19-6-2-7-20-41)70-67(69-65)72-54-28-14-12-23-47(54)51-37-42(31-34-55(51)72)43-33-36-57-53(38-43)60-46(27-16-29-58(60)73-57)44-32-35-56-52(39-44)61-48-24-10-11-25-49(48)62-50-26-13-15-30-59(50)74-64(62)63(61)71(56)45-21-8-3-9-22-45;1-3-16-39(17-4-1)63-48-23-9-12-26-53(48)67-66(68-63)70-54-27-13-10-20-45(54)50-36-40(30-33-55(50)70)41-32-35-57-52(37-41)60-44(25-15-28-58(60)71-57)42-31-34-56-51(38-42)61-46-21-7-8-22-47(46)62-49-24-11-14-29-59(49)72-65(62)64(61)69(56)43-18-5-2-6-19-43/h1-39H;1-38H
• InChIKey: MZTYCTDXFKJBCN-UHFFFAOYSA-N
• XLogP: 36.40
• TPSA: 110.45 Ų
• H-Bond Acceptors: 13
• Rotatable Bonds: 11
• Heavy Atoms: 146
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1897.27
LogP ≤ 5	36.40
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of 20-[8-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]dibenzofuran-1-yl]-24-phenyl-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaene;24-phenyl-20-[8-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]dibenzofuran-1-yl]-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaene?

The IUPAC name of 20-[8-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]dibenzofuran-1-yl]-24-phenyl-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaene;24-phenyl-20-[8-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]dibenzofuran-1-yl]-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaene (CID 159718900) is 20-[8-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]dibenzofuran-1-yl]-24-phenyl-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaene;24-phenyl-20-[8-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]dibenzofuran-1-yl]-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaene.

What is the SMILES notation for 20-[8-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]dibenzofuran-1-yl]-24-phenyl-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaene;24-phenyl-20-[8-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]dibenzofuran-1-yl]-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaene?

The canonical SMILES for 20-[8-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]dibenzofuran-1-yl]-24-phenyl-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaene;24-phenyl-20-[8-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]dibenzofuran-1-yl]-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaene is c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5ccc6oc7cccc(-c8ccc9c(c8)c8c%10ccccc%10c%10c%11ccccc%11sc%10c8n9-c8ccccc8)c7c6c5)ccc43)n2)cc1.c1ccc(-c2nc(-n3c4ccccc4c4cc(-c5ccc6oc7cccc(-c8ccc9c(c8)c8c%10ccccc%10c%10c%11ccccc%11sc%10c8n9-c8ccccc8)c7c6c5)ccc43)nc3ccccc23)cc1.

What is the InChIKey of 20-[8-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]dibenzofuran-1-yl]-24-phenyl-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaene;24-phenyl-20-[8-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]dibenzofuran-1-yl]-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaene?

The InChIKey is MZTYCTDXFKJBCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H39N5OS.C66H38N4OS/c1-4-17-40(18-5-1)65-68-66(41-19-6-2-7-20-41)70-67(69-65)72-54-28-14-12-23-47(54)51-37-42(31-34-55(51)72)43-33-36-57-53(38-43)60-46(27-16-29-58(60)73-57)44-32-35-56-52(39-44)61-48-24-10-11-25-49(48)62-50-26-13-15-30-59(50)74-64(62)63(61)71(56)45-21-8-3-9-22-45;1-3-16-39(17-4-1)63-48-23-9-12-26-53(48)67-66(68-63)70-54-27-13-10-20-45(54)50-36-40(30-33-55(50)70)41-32-35-57-52(37-41)60-44(25-15-28-58(60)71-57)42-31-34-56-51(38-42)61-46-21-7-8-22-47(46)62-49-24-11-14-29-59(49)72-65(62)64(61)69(56)43-18-5-2-6-19-43/h1-39H;1-38H.

What are the key properties of 20-[8-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]dibenzofuran-1-yl]-24-phenyl-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaene;24-phenyl-20-[8-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]dibenzofuran-1-yl]-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaene?

20-[8-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]dibenzofuran-1-yl]-24-phenyl-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaene;24-phenyl-20-[8-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]dibenzofuran-1-yl]-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaene has a molecular weight of 1897.27 g/mol, XLogP of 36.40, 11 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 20-[8-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]dibenzofuran-1-yl]-24-phenyl-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaene;24-phenyl-20-[8-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]dibenzofuran-1-yl]-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaene is sourced from PubChem (CID 159718900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).