11-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2,9,11-triazahexacyclo[16.8.0.02,10.03,8.012,17.021,26]hexacosa-1(18),3,5,7,9,12,14,16,19,21,23,25-dodecaene;14-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1,14,16-triazahexacyclo[13.11.0.02,7.08,13.017,26.018,23]hexacosa-2,4,6,8,10,12,15,17(26),18,20,22,24-dodecaene;17-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-8,15,17-triazahexacyclo[16.8.0.02,7.08,16.09,14.021,26]hexacosa-1(18),2,4,6,9,11,13,15,19,21,23,25-dodecaene;14-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]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

C196H126N24 — CID 162037057

About 11-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2,9,11-triazahexacyclo[16.8.0.02,10.03,8.012,17.021,26]hexacosa-1(18),3,5,7,9,12,14,16,19,21,23,25-dodecaene;14-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1,14,16-triazahexacyclo[13.11.0.02,7.08,13.017,26.018,23]hexacosa-2,4,6,8,10,12,15,17(26),18,20,22,24-dodecaene;17-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-8,15,17-triazahexacyclo[16.8.0.02,7.08,16.09,14.021,26]hexacosa-1(18),2,4,6,9,11,13,15,19,21,23,25-dodecaene;14-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]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-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2,9,11-triazahexacyclo[16.8.0.02,10.03,8.012,17.021,26]hexacosa-1(18),3,5,7,9,12,14,16,19,21,23,25-dodecaene;14-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1,14,16-triazahexacyclo[13.11.0.02,7.08,13.017,26.018,23]hexacosa-2,4,6,8,10,12,15,17(26),18,20,22,24-dodecaene;17-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-8,15,17-triazahexacyclo[16.8.0.02,7.08,16.09,14.021,26]hexacosa-1(18),2,4,6,9,11,13,15,19,21,23,25-dodecaene;14-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]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 (PubChem CID 162037057) has the molecular formula C196H126N24 and a molecular weight of 2817.33 g/mol. Its IUPAC name is 11-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2,9,11-triazahexacyclo[16.8.0.02,10.03,8.012,17.021,26]hexacosa-1(18),3,5,7,9,12,14,16,19,21,23,25-dodecaene;14-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1,14,16-triazahexacyclo[13.11.0.02,7.08,13.017,26.018,23]hexacosa-2,4,6,8,10,12,15,17(26),18,20,22,24-dodecaene;17-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-8,15,17-triazahexacyclo[16.8.0.02,7.08,16.09,14.021,26]hexacosa-1(18),2,4,6,9,11,13,15,19,21,23,25-dodecaene;14-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]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.

Molecular Properties

• Compound Name: 11-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2,9,11-triazahexacyclo[16.8.0.02,10.03,8.012,17.021,26]hexacosa-1(18),3,5,7,9,12,14,16,19,21,23,25-dodecaene;14-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1,14,16-triazahexacyclo[13.11.0.02,7.08,13.017,26.018,23]hexacosa-2,4,6,8,10,12,15,17(26),18,20,22,24-dodecaene;17-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-8,15,17-triazahexacyclo[16.8.0.02,7.08,16.09,14.021,26]hexacosa-1(18),2,4,6,9,11,13,15,19,21,23,25-dodecaene;14-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]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
• PubChem CID: 162037057
• Molecular Formula: C196H126N24
• Molecular Weight: 2817.33 g/mol
• Exact Mass: 2815.06
• IUPAC Name: 11-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2,9,11-triazahexacyclo[16.8.0.02,10.03,8.012,17.021,26]hexacosa-1(18),3,5,7,9,12,14,16,19,21,23,25-dodecaene;14-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1,14,16-triazahexacyclo[13.11.0.02,7.08,13.017,26.018,23]hexacosa-2,4,6,8,10,12,15,17(26),18,20,22,24-dodecaene;17-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-8,15,17-triazahexacyclo[16.8.0.02,7.08,16.09,14.021,26]hexacosa-1(18),2,4,6,9,11,13,15,19,21,23,25-dodecaene;14-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]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
• SMILES: c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc(N5c6ccccc6-c6ccccc6-n6c5nc5ccccc56)cc4)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cccc(N5c6ccc7ccccc7c6-c6ccccc6-n6c5nc5ccccc56)c4)c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cccc(N5c6ccccc6-c6ccc7ccccc7c6-n6c5nc5ccccc56)c4)c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cccc(N5c6ccccc6-c6ccccc6-n6c5nc5c7ccccc7ccc56)c4)c3)n2)cc1
• InChI: InChI=1S/3C50H32N6.C46H30N6/c1-3-16-34(17-4-1)47-52-48(35-18-5-2-6-19-35)54-49(53-47)38-22-13-20-36(31-38)37-21-14-23-39(32-37)55-44-27-11-9-25-41(44)42-30-29-33-15-7-8-24-40(33)46(42)56-45-28-12-10-26-43(45)51-50(55)56;1-3-16-34(17-4-1)47-52-48(35-18-5-2-6-19-35)54-49(53-47)38-22-13-20-36(31-38)37-21-14-23-39(32-37)55-45-30-29-33-15-7-8-24-40(33)46(45)41-25-9-11-27-43(41)56-44-28-12-10-26-42(44)51-50(55)56;1-3-16-34(17-4-1)47-52-48(35-18-5-2-6-19-35)54-49(53-47)38-22-13-20-36(31-38)37-21-14-23-39(32-37)55-43-27-11-9-25-41(43)42-26-10-12-28-44(42)56-45-30-29-33-15-7-8-24-40(33)46(45)51-50(55)56;1-3-13-33(14-4-1)43-48-44(34-15-5-2-6-16-34)50-45(49-43)35-25-23-31(24-26-35)32-27-29-36(30-28-32)51-40-20-10-7-17-37(40)38-18-8-11-21-41(38)52-42-22-12-9-19-39(42)47-46(51)52/h3*1-32H;1-30H
• InChIKey: YWUAMSYEAWNQKD-UHFFFAOYSA-N
• XLogP: 48.77
• TPSA: 238.92 Ų
• H-Bond Acceptors: 24
• Rotatable Bonds: 20
• Heavy Atoms: 220
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2817.33
LogP ≤ 5	48.77
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of 11-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2,9,11-triazahexacyclo[16.8.0.02,10.03,8.012,17.021,26]hexacosa-1(18),3,5,7,9,12,14,16,19,21,23,25-dodecaene;14-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1,14,16-triazahexacyclo[13.11.0.02,7.08,13.017,26.018,23]hexacosa-2,4,6,8,10,12,15,17(26),18,20,22,24-dodecaene;17-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-8,15,17-triazahexacyclo[16.8.0.02,7.08,16.09,14.021,26]hexacosa-1(18),2,4,6,9,11,13,15,19,21,23,25-dodecaene;14-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]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?

The IUPAC name of 11-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2,9,11-triazahexacyclo[16.8.0.02,10.03,8.012,17.021,26]hexacosa-1(18),3,5,7,9,12,14,16,19,21,23,25-dodecaene;14-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1,14,16-triazahexacyclo[13.11.0.02,7.08,13.017,26.018,23]hexacosa-2,4,6,8,10,12,15,17(26),18,20,22,24-dodecaene;17-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-8,15,17-triazahexacyclo[16.8.0.02,7.08,16.09,14.021,26]hexacosa-1(18),2,4,6,9,11,13,15,19,21,23,25-dodecaene;14-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]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 (CID 162037057) is 11-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2,9,11-triazahexacyclo[16.8.0.02,10.03,8.012,17.021,26]hexacosa-1(18),3,5,7,9,12,14,16,19,21,23,25-dodecaene;14-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1,14,16-triazahexacyclo[13.11.0.02,7.08,13.017,26.018,23]hexacosa-2,4,6,8,10,12,15,17(26),18,20,22,24-dodecaene;17-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-8,15,17-triazahexacyclo[16.8.0.02,7.08,16.09,14.021,26]hexacosa-1(18),2,4,6,9,11,13,15,19,21,23,25-dodecaene;14-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]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.

What is the SMILES notation for 11-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2,9,11-triazahexacyclo[16.8.0.02,10.03,8.012,17.021,26]hexacosa-1(18),3,5,7,9,12,14,16,19,21,23,25-dodecaene;14-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1,14,16-triazahexacyclo[13.11.0.02,7.08,13.017,26.018,23]hexacosa-2,4,6,8,10,12,15,17(26),18,20,22,24-dodecaene;17-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-8,15,17-triazahexacyclo[16.8.0.02,7.08,16.09,14.021,26]hexacosa-1(18),2,4,6,9,11,13,15,19,21,23,25-dodecaene;14-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]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?

The canonical SMILES for 11-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2,9,11-triazahexacyclo[16.8.0.02,10.03,8.012,17.021,26]hexacosa-1(18),3,5,7,9,12,14,16,19,21,23,25-dodecaene;14-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1,14,16-triazahexacyclo[13.11.0.02,7.08,13.017,26.018,23]hexacosa-2,4,6,8,10,12,15,17(26),18,20,22,24-dodecaene;17-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-8,15,17-triazahexacyclo[16.8.0.02,7.08,16.09,14.021,26]hexacosa-1(18),2,4,6,9,11,13,15,19,21,23,25-dodecaene;14-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]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 is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc(N5c6ccccc6-c6ccccc6-n6c5nc5ccccc56)cc4)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cccc(N5c6ccc7ccccc7c6-c6ccccc6-n6c5nc5ccccc56)c4)c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cccc(N5c6ccccc6-c6ccc7ccccc7c6-n6c5nc5ccccc56)c4)c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cccc(N5c6ccccc6-c6ccccc6-n6c5nc5c7ccccc7ccc56)c4)c3)n2)cc1.

What is the InChIKey of 11-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2,9,11-triazahexacyclo[16.8.0.02,10.03,8.012,17.021,26]hexacosa-1(18),3,5,7,9,12,14,16,19,21,23,25-dodecaene;14-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1,14,16-triazahexacyclo[13.11.0.02,7.08,13.017,26.018,23]hexacosa-2,4,6,8,10,12,15,17(26),18,20,22,24-dodecaene;17-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-8,15,17-triazahexacyclo[16.8.0.02,7.08,16.09,14.021,26]hexacosa-1(18),2,4,6,9,11,13,15,19,21,23,25-dodecaene;14-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]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?

The InChIKey is YWUAMSYEAWNQKD-UHFFFAOYSA-N. The full InChI is InChI=1S/3C50H32N6.C46H30N6/c1-3-16-34(17-4-1)47-52-48(35-18-5-2-6-19-35)54-49(53-47)38-22-13-20-36(31-38)37-21-14-23-39(32-37)55-44-27-11-9-25-41(44)42-30-29-33-15-7-8-24-40(33)46(42)56-45-28-12-10-26-43(45)51-50(55)56;1-3-16-34(17-4-1)47-52-48(35-18-5-2-6-19-35)54-49(53-47)38-22-13-20-36(31-38)37-21-14-23-39(32-37)55-45-30-29-33-15-7-8-24-40(33)46(45)41-25-9-11-27-43(41)56-44-28-12-10-26-42(44)51-50(55)56;1-3-16-34(17-4-1)47-52-48(35-18-5-2-6-19-35)54-49(53-47)38-22-13-20-36(31-38)37-21-14-23-39(32-37)55-43-27-11-9-25-41(43)42-26-10-12-28-44(42)56-45-30-29-33-15-7-8-24-40(33)46(45)51-50(55)56;1-3-13-33(14-4-1)43-48-44(34-15-5-2-6-16-34)50-45(49-43)35-25-23-31(24-26-35)32-27-29-36(30-28-32)51-40-20-10-7-17-37(40)38-18-8-11-21-41(38)52-42-22-12-9-19-39(42)47-46(51)52/h3*1-32H;1-30H.

What are the key properties of 11-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2,9,11-triazahexacyclo[16.8.0.02,10.03,8.012,17.021,26]hexacosa-1(18),3,5,7,9,12,14,16,19,21,23,25-dodecaene;14-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1,14,16-triazahexacyclo[13.11.0.02,7.08,13.017,26.018,23]hexacosa-2,4,6,8,10,12,15,17(26),18,20,22,24-dodecaene;17-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-8,15,17-triazahexacyclo[16.8.0.02,7.08,16.09,14.021,26]hexacosa-1(18),2,4,6,9,11,13,15,19,21,23,25-dodecaene;14-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]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-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2,9,11-triazahexacyclo[16.8.0.02,10.03,8.012,17.021,26]hexacosa-1(18),3,5,7,9,12,14,16,19,21,23,25-dodecaene;14-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1,14,16-triazahexacyclo[13.11.0.02,7.08,13.017,26.018,23]hexacosa-2,4,6,8,10,12,15,17(26),18,20,22,24-dodecaene;17-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-8,15,17-triazahexacyclo[16.8.0.02,7.08,16.09,14.021,26]hexacosa-1(18),2,4,6,9,11,13,15,19,21,23,25-dodecaene;14-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]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 has a molecular weight of 2817.33 g/mol, XLogP of 48.77, 20 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 11-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2,9,11-triazahexacyclo[16.8.0.02,10.03,8.012,17.021,26]hexacosa-1(18),3,5,7,9,12,14,16,19,21,23,25-dodecaene;14-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1,14,16-triazahexacyclo[13.11.0.02,7.08,13.017,26.018,23]hexacosa-2,4,6,8,10,12,15,17(26),18,20,22,24-dodecaene;17-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-8,15,17-triazahexacyclo[16.8.0.02,7.08,16.09,14.021,26]hexacosa-1(18),2,4,6,9,11,13,15,19,21,23,25-dodecaene;14-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]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 is sourced from PubChem (CID 162037057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).