11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,9,11-triazahexacyclo[16.8.0.02,10.03,8.012,17.020,25]hexacosa-1(26),3,5,7,9,12,14,16,18,20,22,24-dodecaene;14-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,14,16-triazahexacyclo[13.11.0.02,7.08,13.017,26.019,24]hexacosa-2,4,6,8,10,12,15,17,19,21,23,25-dodecaene;14-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,14,16-triazapentacyclo[13.7.0.02,7.08,13.017,22]docosa-2,4,6,8,10,12,15,17,19,21-decaene;11-(4-phenylquinazolin-2-yl)-2,9,11-triazahexacyclo[16.8.0.02,10.03,8.012,17.020,25]hexacosa-1(26),3,5,7,9,12,14,16,18,20,22,24-dodecaene

C165H105N23 — CID 158730561

About 11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,9,11-triazahexacyclo[16.8.0.02,10.03,8.012,17.020,25]hexacosa-1(26),3,5,7,9,12,14,16,18,20,22,24-dodecaene;14-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,14,16-triazahexacyclo[13.11.0.02,7.08,13.017,26.019,24]hexacosa-2,4,6,8,10,12,15,17,19,21,23,25-dodecaene;14-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,14,16-triazapentacyclo[13.7.0.02,7.08,13.017,22]docosa-2,4,6,8,10,12,15,17,19,21-decaene;11-(4-phenylquinazolin-2-yl)-2,9,11-triazahexacyclo[16.8.0.02,10.03,8.012,17.020,25]hexacosa-1(26),3,5,7,9,12,14,16,18,20,22,24-dodecaene

11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,9,11-triazahexacyclo[16.8.0.02,10.03,8.012,17.020,25]hexacosa-1(26),3,5,7,9,12,14,16,18,20,22,24-dodecaene;14-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,14,16-triazahexacyclo[13.11.0.02,7.08,13.017,26.019,24]hexacosa-2,4,6,8,10,12,15,17,19,21,23,25-dodecaene;14-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,14,16-triazapentacyclo[13.7.0.02,7.08,13.017,22]docosa-2,4,6,8,10,12,15,17,19,21-decaene;11-(4-phenylquinazolin-2-yl)-2,9,11-triazahexacyclo[16.8.0.02,10.03,8.012,17.020,25]hexacosa-1(26),3,5,7,9,12,14,16,18,20,22,24-dodecaene (PubChem CID 158730561) has the molecular formula C165H105N23 and a molecular weight of 2409.82 g/mol. Its IUPAC name is 11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,9,11-triazahexacyclo[16.8.0.02,10.03,8.012,17.020,25]hexacosa-1(26),3,5,7,9,12,14,16,18,20,22,24-dodecaene;14-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,14,16-triazahexacyclo[13.11.0.02,7.08,13.017,26.019,24]hexacosa-2,4,6,8,10,12,15,17,19,21,23,25-dodecaene;14-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,14,16-triazapentacyclo[13.7.0.02,7.08,13.017,22]docosa-2,4,6,8,10,12,15,17,19,21-decaene;11-(4-phenylquinazolin-2-yl)-2,9,11-triazahexacyclo[16.8.0.02,10.03,8.012,17.020,25]hexacosa-1(26),3,5,7,9,12,14,16,18,20,22,24-dodecaene.

Molecular Properties

• Compound Name: 11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,9,11-triazahexacyclo[16.8.0.02,10.03,8.012,17.020,25]hexacosa-1(26),3,5,7,9,12,14,16,18,20,22,24-dodecaene;14-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,14,16-triazahexacyclo[13.11.0.02,7.08,13.017,26.019,24]hexacosa-2,4,6,8,10,12,15,17,19,21,23,25-dodecaene;14-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,14,16-triazapentacyclo[13.7.0.02,7.08,13.017,22]docosa-2,4,6,8,10,12,15,17,19,21-decaene;11-(4-phenylquinazolin-2-yl)-2,9,11-triazahexacyclo[16.8.0.02,10.03,8.012,17.020,25]hexacosa-1(26),3,5,7,9,12,14,16,18,20,22,24-dodecaene
• PubChem CID: 158730561
• Molecular Formula: C165H105N23
• Molecular Weight: 2409.82 g/mol
• Exact Mass: 2407.89
• IUPAC Name: 11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,9,11-triazahexacyclo[16.8.0.02,10.03,8.012,17.020,25]hexacosa-1(26),3,5,7,9,12,14,16,18,20,22,24-dodecaene;14-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,14,16-triazahexacyclo[13.11.0.02,7.08,13.017,26.019,24]hexacosa-2,4,6,8,10,12,15,17,19,21,23,25-dodecaene;14-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,14,16-triazapentacyclo[13.7.0.02,7.08,13.017,22]docosa-2,4,6,8,10,12,15,17,19,21-decaene;11-(4-phenylquinazolin-2-yl)-2,9,11-triazahexacyclo[16.8.0.02,10.03,8.012,17.020,25]hexacosa-1(26),3,5,7,9,12,14,16,18,20,22,24-dodecaene
• SMILES: c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(N4c5ccccc5-c5cc6ccccc6cc5-n5c4nc4ccccc45)c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(N4c5ccccc5-c5ccccc5-n5c4nc4cc6ccccc6cc45)c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(N4c5ccccc5-c5ccccc5-n5c4nc4ccccc45)c3)n2)cc1.c1ccc(-c2nc(N3c4ccccc4-c4cc5ccccc5cc4-n4c3nc3ccccc34)nc3ccccc23)cc1
• InChI: InChI=1S/2C44H28N6.C40H26N6.C37H23N5/c1-3-14-29(15-4-1)41-46-42(30-16-5-2-6-17-30)48-43(47-41)33-20-13-21-34(26-33)49-38-24-11-9-22-35(38)36-27-31-18-7-8-19-32(31)28-40(36)50-39-25-12-10-23-37(39)45-44(49)50;1-3-14-29(15-4-1)41-46-42(30-16-5-2-6-17-30)48-43(47-41)33-20-13-21-34(26-33)49-38-24-11-9-22-35(38)36-23-10-12-25-39(36)50-40-28-32-19-8-7-18-31(32)27-37(40)45-44(49)50;1-3-14-27(15-4-1)37-42-38(28-16-5-2-6-17-28)44-39(43-37)29-18-13-19-30(26-29)45-34-23-10-7-20-31(34)32-21-8-11-24-35(32)46-36-25-12-9-22-33(36)41-40(45)46;1-2-12-24(13-3-1)35-28-17-6-8-18-30(28)38-36(40-35)42-32-20-10-7-16-27(32)29-22-25-14-4-5-15-26(25)23-34(29)41-33-21-11-9-19-31(33)39-37(41)42/h2*1-28H;1-26H;1-23H
• InChIKey: ILAWHRCVLCZVDA-UHFFFAOYSA-N
• XLogP: 40.53
• TPSA: 226.03 Ų
• H-Bond Acceptors: 23
• Rotatable Bonds: 14
• Heavy Atoms: 188
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2409.82
LogP ≤ 5	40.53
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

What is the IUPAC name of 11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,9,11-triazahexacyclo[16.8.0.02,10.03,8.012,17.020,25]hexacosa-1(26),3,5,7,9,12,14,16,18,20,22,24-dodecaene;14-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,14,16-triazahexacyclo[13.11.0.02,7.08,13.017,26.019,24]hexacosa-2,4,6,8,10,12,15,17,19,21,23,25-dodecaene;14-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,14,16-triazapentacyclo[13.7.0.02,7.08,13.017,22]docosa-2,4,6,8,10,12,15,17,19,21-decaene;11-(4-phenylquinazolin-2-yl)-2,9,11-triazahexacyclo[16.8.0.02,10.03,8.012,17.020,25]hexacosa-1(26),3,5,7,9,12,14,16,18,20,22,24-dodecaene?

The IUPAC name of 11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,9,11-triazahexacyclo[16.8.0.02,10.03,8.012,17.020,25]hexacosa-1(26),3,5,7,9,12,14,16,18,20,22,24-dodecaene;14-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,14,16-triazahexacyclo[13.11.0.02,7.08,13.017,26.019,24]hexacosa-2,4,6,8,10,12,15,17,19,21,23,25-dodecaene;14-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,14,16-triazapentacyclo[13.7.0.02,7.08,13.017,22]docosa-2,4,6,8,10,12,15,17,19,21-decaene;11-(4-phenylquinazolin-2-yl)-2,9,11-triazahexacyclo[16.8.0.02,10.03,8.012,17.020,25]hexacosa-1(26),3,5,7,9,12,14,16,18,20,22,24-dodecaene (CID 158730561) is 11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,9,11-triazahexacyclo[16.8.0.02,10.03,8.012,17.020,25]hexacosa-1(26),3,5,7,9,12,14,16,18,20,22,24-dodecaene;14-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,14,16-triazahexacyclo[13.11.0.02,7.08,13.017,26.019,24]hexacosa-2,4,6,8,10,12,15,17,19,21,23,25-dodecaene;14-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,14,16-triazapentacyclo[13.7.0.02,7.08,13.017,22]docosa-2,4,6,8,10,12,15,17,19,21-decaene;11-(4-phenylquinazolin-2-yl)-2,9,11-triazahexacyclo[16.8.0.02,10.03,8.012,17.020,25]hexacosa-1(26),3,5,7,9,12,14,16,18,20,22,24-dodecaene.

What is the SMILES notation for 11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,9,11-triazahexacyclo[16.8.0.02,10.03,8.012,17.020,25]hexacosa-1(26),3,5,7,9,12,14,16,18,20,22,24-dodecaene;14-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,14,16-triazahexacyclo[13.11.0.02,7.08,13.017,26.019,24]hexacosa-2,4,6,8,10,12,15,17,19,21,23,25-dodecaene;14-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,14,16-triazapentacyclo[13.7.0.02,7.08,13.017,22]docosa-2,4,6,8,10,12,15,17,19,21-decaene;11-(4-phenylquinazolin-2-yl)-2,9,11-triazahexacyclo[16.8.0.02,10.03,8.012,17.020,25]hexacosa-1(26),3,5,7,9,12,14,16,18,20,22,24-dodecaene?

The canonical SMILES for 11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,9,11-triazahexacyclo[16.8.0.02,10.03,8.012,17.020,25]hexacosa-1(26),3,5,7,9,12,14,16,18,20,22,24-dodecaene;14-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,14,16-triazahexacyclo[13.11.0.02,7.08,13.017,26.019,24]hexacosa-2,4,6,8,10,12,15,17,19,21,23,25-dodecaene;14-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,14,16-triazapentacyclo[13.7.0.02,7.08,13.017,22]docosa-2,4,6,8,10,12,15,17,19,21-decaene;11-(4-phenylquinazolin-2-yl)-2,9,11-triazahexacyclo[16.8.0.02,10.03,8.012,17.020,25]hexacosa-1(26),3,5,7,9,12,14,16,18,20,22,24-dodecaene is c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(N4c5ccccc5-c5cc6ccccc6cc5-n5c4nc4ccccc45)c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(N4c5ccccc5-c5ccccc5-n5c4nc4cc6ccccc6cc45)c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(N4c5ccccc5-c5ccccc5-n5c4nc4ccccc45)c3)n2)cc1.c1ccc(-c2nc(N3c4ccccc4-c4cc5ccccc5cc4-n4c3nc3ccccc34)nc3ccccc23)cc1.

What is the InChIKey of 11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,9,11-triazahexacyclo[16.8.0.02,10.03,8.012,17.020,25]hexacosa-1(26),3,5,7,9,12,14,16,18,20,22,24-dodecaene;14-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,14,16-triazahexacyclo[13.11.0.02,7.08,13.017,26.019,24]hexacosa-2,4,6,8,10,12,15,17,19,21,23,25-dodecaene;14-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,14,16-triazapentacyclo[13.7.0.02,7.08,13.017,22]docosa-2,4,6,8,10,12,15,17,19,21-decaene;11-(4-phenylquinazolin-2-yl)-2,9,11-triazahexacyclo[16.8.0.02,10.03,8.012,17.020,25]hexacosa-1(26),3,5,7,9,12,14,16,18,20,22,24-dodecaene?

The InChIKey is ILAWHRCVLCZVDA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C44H28N6.C40H26N6.C37H23N5/c1-3-14-29(15-4-1)41-46-42(30-16-5-2-6-17-30)48-43(47-41)33-20-13-21-34(26-33)49-38-24-11-9-22-35(38)36-27-31-18-7-8-19-32(31)28-40(36)50-39-25-12-10-23-37(39)45-44(49)50;1-3-14-29(15-4-1)41-46-42(30-16-5-2-6-17-30)48-43(47-41)33-20-13-21-34(26-33)49-38-24-11-9-22-35(38)36-23-10-12-25-39(36)50-40-28-32-19-8-7-18-31(32)27-37(40)45-44(49)50;1-3-14-27(15-4-1)37-42-38(28-16-5-2-6-17-28)44-39(43-37)29-18-13-19-30(26-29)45-34-23-10-7-20-31(34)32-21-8-11-24-35(32)46-36-25-12-9-22-33(36)41-40(45)46;1-2-12-24(13-3-1)35-28-17-6-8-18-30(28)38-36(40-35)42-32-20-10-7-16-27(32)29-22-25-14-4-5-15-26(25)23-34(29)41-33-21-11-9-19-31(33)39-37(41)42/h2*1-28H;1-26H;1-23H.

What are the key properties of 11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,9,11-triazahexacyclo[16.8.0.02,10.03,8.012,17.020,25]hexacosa-1(26),3,5,7,9,12,14,16,18,20,22,24-dodecaene;14-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,14,16-triazahexacyclo[13.11.0.02,7.08,13.017,26.019,24]hexacosa-2,4,6,8,10,12,15,17,19,21,23,25-dodecaene;14-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,14,16-triazapentacyclo[13.7.0.02,7.08,13.017,22]docosa-2,4,6,8,10,12,15,17,19,21-decaene;11-(4-phenylquinazolin-2-yl)-2,9,11-triazahexacyclo[16.8.0.02,10.03,8.012,17.020,25]hexacosa-1(26),3,5,7,9,12,14,16,18,20,22,24-dodecaene?

11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,9,11-triazahexacyclo[16.8.0.02,10.03,8.012,17.020,25]hexacosa-1(26),3,5,7,9,12,14,16,18,20,22,24-dodecaene;14-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,14,16-triazahexacyclo[13.11.0.02,7.08,13.017,26.019,24]hexacosa-2,4,6,8,10,12,15,17,19,21,23,25-dodecaene;14-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,14,16-triazapentacyclo[13.7.0.02,7.08,13.017,22]docosa-2,4,6,8,10,12,15,17,19,21-decaene;11-(4-phenylquinazolin-2-yl)-2,9,11-triazahexacyclo[16.8.0.02,10.03,8.012,17.020,25]hexacosa-1(26),3,5,7,9,12,14,16,18,20,22,24-dodecaene has a molecular weight of 2409.82 g/mol, XLogP of 40.53, 14 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,9,11-triazahexacyclo[16.8.0.02,10.03,8.012,17.020,25]hexacosa-1(26),3,5,7,9,12,14,16,18,20,22,24-dodecaene;14-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,14,16-triazahexacyclo[13.11.0.02,7.08,13.017,26.019,24]hexacosa-2,4,6,8,10,12,15,17,19,21,23,25-dodecaene;14-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,14,16-triazapentacyclo[13.7.0.02,7.08,13.017,22]docosa-2,4,6,8,10,12,15,17,19,21-decaene;11-(4-phenylquinazolin-2-yl)-2,9,11-triazahexacyclo[16.8.0.02,10.03,8.012,17.020,25]hexacosa-1(26),3,5,7,9,12,14,16,18,20,22,24-dodecaene is sourced from PubChem (CID 158730561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).