22-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,18-diazaoctacyclo[16.12.2.02,7.08,31.011,32.012,17.019,24.025,30]dotriaconta-2,4,6,8(31),9,11(32),12,14,16,19(24),20,22,25,27,29-pentadecaene;22-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-1,18-diazaoctacyclo[16.12.2.02,7.08,31.011,32.012,17.019,24.025,30]dotriaconta-2,4,6,8(31),9,11(32),12,14,16,19(24),20,22,25,27,29-pentadecaene;22-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-1,18-diazaoctacyclo[16.12.2.02,7.08,31.011,32.012,17.019,24.025,30]dotriaconta-2,4,6,8(31),9,11(32),12,14,16,19(24),20,22,25,27,29-pentadecaene

C149H89N15 — CID 159029933

About 22-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,18-diazaoctacyclo[16.12.2.02,7.08,31.011,32.012,17.019,24.025,30]dotriaconta-2,4,6,8(31),9,11(32),12,14,16,19(24),20,22,25,27,29-pentadecaene;22-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-1,18-diazaoctacyclo[16.12.2.02,7.08,31.011,32.012,17.019,24.025,30]dotriaconta-2,4,6,8(31),9,11(32),12,14,16,19(24),20,22,25,27,29-pentadecaene;22-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-1,18-diazaoctacyclo[16.12.2.02,7.08,31.011,32.012,17.019,24.025,30]dotriaconta-2,4,6,8(31),9,11(32),12,14,16,19(24),20,22,25,27,29-pentadecaene

22-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,18-diazaoctacyclo[16.12.2.02,7.08,31.011,32.012,17.019,24.025,30]dotriaconta-2,4,6,8(31),9,11(32),12,14,16,19(24),20,22,25,27,29-pentadecaene;22-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-1,18-diazaoctacyclo[16.12.2.02,7.08,31.011,32.012,17.019,24.025,30]dotriaconta-2,4,6,8(31),9,11(32),12,14,16,19(24),20,22,25,27,29-pentadecaene;22-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-1,18-diazaoctacyclo[16.12.2.02,7.08,31.011,32.012,17.019,24.025,30]dotriaconta-2,4,6,8(31),9,11(32),12,14,16,19(24),20,22,25,27,29-pentadecaene (PubChem CID 159029933) has the molecular formula C149H89N15 and a molecular weight of 2089.46 g/mol. Its IUPAC name is 22-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,18-diazaoctacyclo[16.12.2.02,7.08,31.011,32.012,17.019,24.025,30]dotriaconta-2,4,6,8(31),9,11(32),12,14,16,19(24),20,22,25,27,29-pentadecaene;22-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-1,18-diazaoctacyclo[16.12.2.02,7.08,31.011,32.012,17.019,24.025,30]dotriaconta-2,4,6,8(31),9,11(32),12,14,16,19(24),20,22,25,27,29-pentadecaene;22-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-1,18-diazaoctacyclo[16.12.2.02,7.08,31.011,32.012,17.019,24.025,30]dotriaconta-2,4,6,8(31),9,11(32),12,14,16,19(24),20,22,25,27,29-pentadecaene.

Molecular Properties

• Compound Name: 22-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,18-diazaoctacyclo[16.12.2.02,7.08,31.011,32.012,17.019,24.025,30]dotriaconta-2,4,6,8(31),9,11(32),12,14,16,19(24),20,22,25,27,29-pentadecaene;22-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-1,18-diazaoctacyclo[16.12.2.02,7.08,31.011,32.012,17.019,24.025,30]dotriaconta-2,4,6,8(31),9,11(32),12,14,16,19(24),20,22,25,27,29-pentadecaene;22-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-1,18-diazaoctacyclo[16.12.2.02,7.08,31.011,32.012,17.019,24.025,30]dotriaconta-2,4,6,8(31),9,11(32),12,14,16,19(24),20,22,25,27,29-pentadecaene
• PubChem CID: 159029933
• Molecular Formula: C149H89N15
• Molecular Weight: 2089.46 g/mol
• Exact Mass: 2087.74
• IUPAC Name: 22-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,18-diazaoctacyclo[16.12.2.02,7.08,31.011,32.012,17.019,24.025,30]dotriaconta-2,4,6,8(31),9,11(32),12,14,16,19(24),20,22,25,27,29-pentadecaene;22-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-1,18-diazaoctacyclo[16.12.2.02,7.08,31.011,32.012,17.019,24.025,30]dotriaconta-2,4,6,8(31),9,11(32),12,14,16,19(24),20,22,25,27,29-pentadecaene;22-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-1,18-diazaoctacyclo[16.12.2.02,7.08,31.011,32.012,17.019,24.025,30]dotriaconta-2,4,6,8(31),9,11(32),12,14,16,19(24),20,22,25,27,29-pentadecaene
• SMILES: c1ccc(-c2nc(-c3ccc4c(c3)c3ccccc3n3c5ccccc5c5ccc6c7ccccc7n4c6c53)nc(-c3cccc4ccccc34)n2)cc1.c1ccc(-c2nc(-c3ccc4ccccc4c3)nc(-c3ccc4c(c3)c3ccccc3n3c5ccccc5c5ccc6c7ccccc7n4c6c53)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccc5c(c4)c4ccccc4n4c6ccccc6c6ccc7c8ccccc8n5c7c64)c3)n2)cc1
• InChI: InChI=1S/C51H31N5.2C49H29N5/c1-3-14-32(15-4-1)49-52-50(33-16-5-2-6-17-33)54-51(53-49)36-19-13-18-34(30-36)35-26-29-46-42(31-35)39-22-9-12-25-45(39)55-43-23-10-7-20-37(43)40-27-28-41-38-21-8-11-24-44(38)56(46)48(41)47(40)55;1-2-14-31(15-3-1)47-50-48(52-49(51-47)39-21-12-16-30-13-4-5-17-33(30)39)32-25-28-44-40(29-32)36-20-8-11-24-43(36)53-41-22-9-6-18-34(41)37-26-27-38-35-19-7-10-23-42(35)54(44)46(38)45(37)53;1-2-13-31(14-3-1)47-50-48(33-23-22-30-12-4-5-15-32(30)28-33)52-49(51-47)34-24-27-44-40(29-34)37-18-8-11-21-43(37)53-41-19-9-6-16-35(41)38-25-26-39-36-17-7-10-20-42(36)54(44)46(39)45(38)53/h1-31H;2*1-29H
• InChIKey: JUTGQXWIBQKARR-UHFFFAOYSA-N
• XLogP: 37.41
• TPSA: 142.47 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 10
• Heavy Atoms: 164
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2089.46
LogP ≤ 5	37.41
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of 22-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,18-diazaoctacyclo[16.12.2.02,7.08,31.011,32.012,17.019,24.025,30]dotriaconta-2,4,6,8(31),9,11(32),12,14,16,19(24),20,22,25,27,29-pentadecaene;22-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-1,18-diazaoctacyclo[16.12.2.02,7.08,31.011,32.012,17.019,24.025,30]dotriaconta-2,4,6,8(31),9,11(32),12,14,16,19(24),20,22,25,27,29-pentadecaene;22-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-1,18-diazaoctacyclo[16.12.2.02,7.08,31.011,32.012,17.019,24.025,30]dotriaconta-2,4,6,8(31),9,11(32),12,14,16,19(24),20,22,25,27,29-pentadecaene?

The IUPAC name of 22-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,18-diazaoctacyclo[16.12.2.02,7.08,31.011,32.012,17.019,24.025,30]dotriaconta-2,4,6,8(31),9,11(32),12,14,16,19(24),20,22,25,27,29-pentadecaene;22-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-1,18-diazaoctacyclo[16.12.2.02,7.08,31.011,32.012,17.019,24.025,30]dotriaconta-2,4,6,8(31),9,11(32),12,14,16,19(24),20,22,25,27,29-pentadecaene;22-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-1,18-diazaoctacyclo[16.12.2.02,7.08,31.011,32.012,17.019,24.025,30]dotriaconta-2,4,6,8(31),9,11(32),12,14,16,19(24),20,22,25,27,29-pentadecaene (CID 159029933) is 22-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,18-diazaoctacyclo[16.12.2.02,7.08,31.011,32.012,17.019,24.025,30]dotriaconta-2,4,6,8(31),9,11(32),12,14,16,19(24),20,22,25,27,29-pentadecaene;22-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-1,18-diazaoctacyclo[16.12.2.02,7.08,31.011,32.012,17.019,24.025,30]dotriaconta-2,4,6,8(31),9,11(32),12,14,16,19(24),20,22,25,27,29-pentadecaene;22-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-1,18-diazaoctacyclo[16.12.2.02,7.08,31.011,32.012,17.019,24.025,30]dotriaconta-2,4,6,8(31),9,11(32),12,14,16,19(24),20,22,25,27,29-pentadecaene.

What is the SMILES notation for 22-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,18-diazaoctacyclo[16.12.2.02,7.08,31.011,32.012,17.019,24.025,30]dotriaconta-2,4,6,8(31),9,11(32),12,14,16,19(24),20,22,25,27,29-pentadecaene;22-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-1,18-diazaoctacyclo[16.12.2.02,7.08,31.011,32.012,17.019,24.025,30]dotriaconta-2,4,6,8(31),9,11(32),12,14,16,19(24),20,22,25,27,29-pentadecaene;22-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-1,18-diazaoctacyclo[16.12.2.02,7.08,31.011,32.012,17.019,24.025,30]dotriaconta-2,4,6,8(31),9,11(32),12,14,16,19(24),20,22,25,27,29-pentadecaene?

The canonical SMILES for 22-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,18-diazaoctacyclo[16.12.2.02,7.08,31.011,32.012,17.019,24.025,30]dotriaconta-2,4,6,8(31),9,11(32),12,14,16,19(24),20,22,25,27,29-pentadecaene;22-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-1,18-diazaoctacyclo[16.12.2.02,7.08,31.011,32.012,17.019,24.025,30]dotriaconta-2,4,6,8(31),9,11(32),12,14,16,19(24),20,22,25,27,29-pentadecaene;22-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-1,18-diazaoctacyclo[16.12.2.02,7.08,31.011,32.012,17.019,24.025,30]dotriaconta-2,4,6,8(31),9,11(32),12,14,16,19(24),20,22,25,27,29-pentadecaene is c1ccc(-c2nc(-c3ccc4c(c3)c3ccccc3n3c5ccccc5c5ccc6c7ccccc7n4c6c53)nc(-c3cccc4ccccc34)n2)cc1.c1ccc(-c2nc(-c3ccc4ccccc4c3)nc(-c3ccc4c(c3)c3ccccc3n3c5ccccc5c5ccc6c7ccccc7n4c6c53)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccc5c(c4)c4ccccc4n4c6ccccc6c6ccc7c8ccccc8n5c7c64)c3)n2)cc1.

What is the InChIKey of 22-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,18-diazaoctacyclo[16.12.2.02,7.08,31.011,32.012,17.019,24.025,30]dotriaconta-2,4,6,8(31),9,11(32),12,14,16,19(24),20,22,25,27,29-pentadecaene;22-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-1,18-diazaoctacyclo[16.12.2.02,7.08,31.011,32.012,17.019,24.025,30]dotriaconta-2,4,6,8(31),9,11(32),12,14,16,19(24),20,22,25,27,29-pentadecaene;22-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-1,18-diazaoctacyclo[16.12.2.02,7.08,31.011,32.012,17.019,24.025,30]dotriaconta-2,4,6,8(31),9,11(32),12,14,16,19(24),20,22,25,27,29-pentadecaene?

The InChIKey is JUTGQXWIBQKARR-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H31N5.2C49H29N5/c1-3-14-32(15-4-1)49-52-50(33-16-5-2-6-17-33)54-51(53-49)36-19-13-18-34(30-36)35-26-29-46-42(31-35)39-22-9-12-25-45(39)55-43-23-10-7-20-37(43)40-27-28-41-38-21-8-11-24-44(38)56(46)48(41)47(40)55;1-2-14-31(15-3-1)47-50-48(52-49(51-47)39-21-12-16-30-13-4-5-17-33(30)39)32-25-28-44-40(29-32)36-20-8-11-24-43(36)53-41-22-9-6-18-34(41)37-26-27-38-35-19-7-10-23-42(35)54(44)46(38)45(37)53;1-2-13-31(14-3-1)47-50-48(33-23-22-30-12-4-5-15-32(30)28-33)52-49(51-47)34-24-27-44-40(29-34)37-18-8-11-21-43(37)53-41-19-9-6-16-35(41)38-25-26-39-36-17-7-10-20-42(36)54(44)46(39)45(38)53/h1-31H;2*1-29H.

What are the key properties of 22-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,18-diazaoctacyclo[16.12.2.02,7.08,31.011,32.012,17.019,24.025,30]dotriaconta-2,4,6,8(31),9,11(32),12,14,16,19(24),20,22,25,27,29-pentadecaene;22-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-1,18-diazaoctacyclo[16.12.2.02,7.08,31.011,32.012,17.019,24.025,30]dotriaconta-2,4,6,8(31),9,11(32),12,14,16,19(24),20,22,25,27,29-pentadecaene;22-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-1,18-diazaoctacyclo[16.12.2.02,7.08,31.011,32.012,17.019,24.025,30]dotriaconta-2,4,6,8(31),9,11(32),12,14,16,19(24),20,22,25,27,29-pentadecaene?

22-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,18-diazaoctacyclo[16.12.2.02,7.08,31.011,32.012,17.019,24.025,30]dotriaconta-2,4,6,8(31),9,11(32),12,14,16,19(24),20,22,25,27,29-pentadecaene;22-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-1,18-diazaoctacyclo[16.12.2.02,7.08,31.011,32.012,17.019,24.025,30]dotriaconta-2,4,6,8(31),9,11(32),12,14,16,19(24),20,22,25,27,29-pentadecaene;22-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-1,18-diazaoctacyclo[16.12.2.02,7.08,31.011,32.012,17.019,24.025,30]dotriaconta-2,4,6,8(31),9,11(32),12,14,16,19(24),20,22,25,27,29-pentadecaene has a molecular weight of 2089.46 g/mol, XLogP of 37.41, 10 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 22-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,18-diazaoctacyclo[16.12.2.02,7.08,31.011,32.012,17.019,24.025,30]dotriaconta-2,4,6,8(31),9,11(32),12,14,16,19(24),20,22,25,27,29-pentadecaene;22-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-1,18-diazaoctacyclo[16.12.2.02,7.08,31.011,32.012,17.019,24.025,30]dotriaconta-2,4,6,8(31),9,11(32),12,14,16,19(24),20,22,25,27,29-pentadecaene;22-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-1,18-diazaoctacyclo[16.12.2.02,7.08,31.011,32.012,17.019,24.025,30]dotriaconta-2,4,6,8(31),9,11(32),12,14,16,19(24),20,22,25,27,29-pentadecaene is sourced from PubChem (CID 159029933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).