20-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenyl-1,11,20-triazaheptacyclo[13.11.1.02,14.04,12.05,10.019,27.021,26]heptacosa-2(14),3,5,7,9,12,15(27),16,18,21,23,25-dodecaene;22-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-phenyl-4,15,22-triazaheptacyclo[13.11.1.02,14.03,11.05,10.016,21.023,27]heptacosa-1(27),2(14),3(11),5,7,9,12,16,18,20,23,25-dodecaene;22-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenyl-11,15,22-triazaheptacyclo[13.11.1.02,14.04,12.05,10.016,21.023,27]heptacosa-1(27),2,4(12),5(10),6,13,16,18,20,23,25-undecaene

C135H86N18 — CID 158500793

About 20-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenyl-1,11,20-triazaheptacyclo[13.11.1.02,14.04,12.05,10.019,27.021,26]heptacosa-2(14),3,5,7,9,12,15(27),16,18,21,23,25-dodecaene;22-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-phenyl-4,15,22-triazaheptacyclo[13.11.1.02,14.03,11.05,10.016,21.023,27]heptacosa-1(27),2(14),3(11),5,7,9,12,16,18,20,23,25-dodecaene;22-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenyl-11,15,22-triazaheptacyclo[13.11.1.02,14.04,12.05,10.016,21.023,27]heptacosa-1(27),2,4(12),5(10),6,13,16,18,20,23,25-undecaene

20-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenyl-1,11,20-triazaheptacyclo[13.11.1.02,14.04,12.05,10.019,27.021,26]heptacosa-2(14),3,5,7,9,12,15(27),16,18,21,23,25-dodecaene;22-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-phenyl-4,15,22-triazaheptacyclo[13.11.1.02,14.03,11.05,10.016,21.023,27]heptacosa-1(27),2(14),3(11),5,7,9,12,16,18,20,23,25-dodecaene;22-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenyl-11,15,22-triazaheptacyclo[13.11.1.02,14.04,12.05,10.016,21.023,27]heptacosa-1(27),2,4(12),5(10),6,13,16,18,20,23,25-undecaene (PubChem CID 158500793) has the molecular formula C135H86N18 and a molecular weight of 1960.30 g/mol. Its IUPAC name is 20-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenyl-1,11,20-triazaheptacyclo[13.11.1.02,14.04,12.05,10.019,27.021,26]heptacosa-2(14),3,5,7,9,12,15(27),16,18,21,23,25-dodecaene;22-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-phenyl-4,15,22-triazaheptacyclo[13.11.1.02,14.03,11.05,10.016,21.023,27]heptacosa-1(27),2(14),3(11),5,7,9,12,16,18,20,23,25-dodecaene;22-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenyl-11,15,22-triazaheptacyclo[13.11.1.02,14.04,12.05,10.016,21.023,27]heptacosa-1(27),2,4(12),5(10),6,13,16,18,20,23,25-undecaene.

Molecular Properties

• Compound Name: 20-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenyl-1,11,20-triazaheptacyclo[13.11.1.02,14.04,12.05,10.019,27.021,26]heptacosa-2(14),3,5,7,9,12,15(27),16,18,21,23,25-dodecaene;22-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-phenyl-4,15,22-triazaheptacyclo[13.11.1.02,14.03,11.05,10.016,21.023,27]heptacosa-1(27),2(14),3(11),5,7,9,12,16,18,20,23,25-dodecaene;22-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenyl-11,15,22-triazaheptacyclo[13.11.1.02,14.04,12.05,10.016,21.023,27]heptacosa-1(27),2,4(12),5(10),6,13,16,18,20,23,25-undecaene
• PubChem CID: 158500793
• Molecular Formula: C135H86N18
• Molecular Weight: 1960.30 g/mol
• Exact Mass: 1958.73
• IUPAC Name: 20-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenyl-1,11,20-triazaheptacyclo[13.11.1.02,14.04,12.05,10.019,27.021,26]heptacosa-2(14),3,5,7,9,12,15(27),16,18,21,23,25-dodecaene;22-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-phenyl-4,15,22-triazaheptacyclo[13.11.1.02,14.03,11.05,10.016,21.023,27]heptacosa-1(27),2(14),3(11),5,7,9,12,16,18,20,23,25-dodecaene;22-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenyl-11,15,22-triazaheptacyclo[13.11.1.02,14.04,12.05,10.016,21.023,27]heptacosa-1(27),2,4(12),5(10),6,13,16,18,20,23,25-undecaene
• SMILES: C1=Cc2c(n(-c3ccccc3)c3cc4c(cc23)c2cccc3c2n4-c2ccccc2N3c2nc(-c3ccccc3)nc(-c3ccccc3)n2)CC1.c1ccc(-c2nc(-c3ccccc3)nc(N3c4ccccc4-n4c5cc6c7ccccc7n(-c7ccccc7)c6cc5c5cccc3c54)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(N3c4ccccc4-n4c5ccc6c7ccccc7n(-c7ccccc7)c6c5c5cccc3c54)n2)cc1
• InChI: InChI=1S/C45H28N6.C45H30N6.C45H28N6/c1-4-15-29(16-5-1)43-46-44(30-17-6-2-7-18-30)48-45(47-43)51-38-25-13-12-24-37(38)50-41-27-34-32-21-10-11-23-36(32)49(31-19-8-3-9-20-31)40(34)28-35(41)33-22-14-26-39(51)42(33)50;1-4-15-29(16-5-1)43-46-44(30-17-6-2-7-18-30)48-45(47-43)51-38-25-13-12-24-37(38)50-41-28-40-34(27-35(41)33-22-14-26-39(51)42(33)50)32-21-10-11-23-36(32)49(40)31-19-8-3-9-20-31;1-4-15-29(16-5-1)43-46-44(30-17-6-2-7-18-30)48-45(47-43)51-37-25-13-12-24-36(37)50-38-28-27-33-32-21-10-11-23-35(32)49(31-19-8-3-9-20-31)42(33)40(38)34-22-14-26-39(51)41(34)50/h1-28H;1-10,12-22,24-28H,11,23H2;1-28H
• InChIKey: HJWDTSSJWLKYBZ-UHFFFAOYSA-N
• XLogP: 33.36
• TPSA: 155.31 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 12
• Heavy Atoms: 153
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1960.30
LogP ≤ 5	33.36
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of 20-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenyl-1,11,20-triazaheptacyclo[13.11.1.02,14.04,12.05,10.019,27.021,26]heptacosa-2(14),3,5,7,9,12,15(27),16,18,21,23,25-dodecaene;22-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-phenyl-4,15,22-triazaheptacyclo[13.11.1.02,14.03,11.05,10.016,21.023,27]heptacosa-1(27),2(14),3(11),5,7,9,12,16,18,20,23,25-dodecaene;22-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenyl-11,15,22-triazaheptacyclo[13.11.1.02,14.04,12.05,10.016,21.023,27]heptacosa-1(27),2,4(12),5(10),6,13,16,18,20,23,25-undecaene?

The IUPAC name of 20-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenyl-1,11,20-triazaheptacyclo[13.11.1.02,14.04,12.05,10.019,27.021,26]heptacosa-2(14),3,5,7,9,12,15(27),16,18,21,23,25-dodecaene;22-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-phenyl-4,15,22-triazaheptacyclo[13.11.1.02,14.03,11.05,10.016,21.023,27]heptacosa-1(27),2(14),3(11),5,7,9,12,16,18,20,23,25-dodecaene;22-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenyl-11,15,22-triazaheptacyclo[13.11.1.02,14.04,12.05,10.016,21.023,27]heptacosa-1(27),2,4(12),5(10),6,13,16,18,20,23,25-undecaene (CID 158500793) is 20-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenyl-1,11,20-triazaheptacyclo[13.11.1.02,14.04,12.05,10.019,27.021,26]heptacosa-2(14),3,5,7,9,12,15(27),16,18,21,23,25-dodecaene;22-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-phenyl-4,15,22-triazaheptacyclo[13.11.1.02,14.03,11.05,10.016,21.023,27]heptacosa-1(27),2(14),3(11),5,7,9,12,16,18,20,23,25-dodecaene;22-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenyl-11,15,22-triazaheptacyclo[13.11.1.02,14.04,12.05,10.016,21.023,27]heptacosa-1(27),2,4(12),5(10),6,13,16,18,20,23,25-undecaene.

What is the SMILES notation for 20-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenyl-1,11,20-triazaheptacyclo[13.11.1.02,14.04,12.05,10.019,27.021,26]heptacosa-2(14),3,5,7,9,12,15(27),16,18,21,23,25-dodecaene;22-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-phenyl-4,15,22-triazaheptacyclo[13.11.1.02,14.03,11.05,10.016,21.023,27]heptacosa-1(27),2(14),3(11),5,7,9,12,16,18,20,23,25-dodecaene;22-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenyl-11,15,22-triazaheptacyclo[13.11.1.02,14.04,12.05,10.016,21.023,27]heptacosa-1(27),2,4(12),5(10),6,13,16,18,20,23,25-undecaene?

The canonical SMILES for 20-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenyl-1,11,20-triazaheptacyclo[13.11.1.02,14.04,12.05,10.019,27.021,26]heptacosa-2(14),3,5,7,9,12,15(27),16,18,21,23,25-dodecaene;22-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-phenyl-4,15,22-triazaheptacyclo[13.11.1.02,14.03,11.05,10.016,21.023,27]heptacosa-1(27),2(14),3(11),5,7,9,12,16,18,20,23,25-dodecaene;22-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenyl-11,15,22-triazaheptacyclo[13.11.1.02,14.04,12.05,10.016,21.023,27]heptacosa-1(27),2,4(12),5(10),6,13,16,18,20,23,25-undecaene is C1=Cc2c(n(-c3ccccc3)c3cc4c(cc23)c2cccc3c2n4-c2ccccc2N3c2nc(-c3ccccc3)nc(-c3ccccc3)n2)CC1.c1ccc(-c2nc(-c3ccccc3)nc(N3c4ccccc4-n4c5cc6c7ccccc7n(-c7ccccc7)c6cc5c5cccc3c54)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(N3c4ccccc4-n4c5ccc6c7ccccc7n(-c7ccccc7)c6c5c5cccc3c54)n2)cc1.

What is the InChIKey of 20-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenyl-1,11,20-triazaheptacyclo[13.11.1.02,14.04,12.05,10.019,27.021,26]heptacosa-2(14),3,5,7,9,12,15(27),16,18,21,23,25-dodecaene;22-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-phenyl-4,15,22-triazaheptacyclo[13.11.1.02,14.03,11.05,10.016,21.023,27]heptacosa-1(27),2(14),3(11),5,7,9,12,16,18,20,23,25-dodecaene;22-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenyl-11,15,22-triazaheptacyclo[13.11.1.02,14.04,12.05,10.016,21.023,27]heptacosa-1(27),2,4(12),5(10),6,13,16,18,20,23,25-undecaene?

The InChIKey is HJWDTSSJWLKYBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H28N6.C45H30N6.C45H28N6/c1-4-15-29(16-5-1)43-46-44(30-17-6-2-7-18-30)48-45(47-43)51-38-25-13-12-24-37(38)50-41-27-34-32-21-10-11-23-36(32)49(31-19-8-3-9-20-31)40(34)28-35(41)33-22-14-26-39(51)42(33)50;1-4-15-29(16-5-1)43-46-44(30-17-6-2-7-18-30)48-45(47-43)51-38-25-13-12-24-37(38)50-41-28-40-34(27-35(41)33-22-14-26-39(51)42(33)50)32-21-10-11-23-36(32)49(40)31-19-8-3-9-20-31;1-4-15-29(16-5-1)43-46-44(30-17-6-2-7-18-30)48-45(47-43)51-37-25-13-12-24-36(37)50-38-28-27-33-32-21-10-11-23-35(32)49(31-19-8-3-9-20-31)42(33)40(38)34-22-14-26-39(51)41(34)50/h1-28H;1-10,12-22,24-28H,11,23H2;1-28H.

What are the key properties of 20-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenyl-1,11,20-triazaheptacyclo[13.11.1.02,14.04,12.05,10.019,27.021,26]heptacosa-2(14),3,5,7,9,12,15(27),16,18,21,23,25-dodecaene;22-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-phenyl-4,15,22-triazaheptacyclo[13.11.1.02,14.03,11.05,10.016,21.023,27]heptacosa-1(27),2(14),3(11),5,7,9,12,16,18,20,23,25-dodecaene;22-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenyl-11,15,22-triazaheptacyclo[13.11.1.02,14.04,12.05,10.016,21.023,27]heptacosa-1(27),2,4(12),5(10),6,13,16,18,20,23,25-undecaene?

20-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenyl-1,11,20-triazaheptacyclo[13.11.1.02,14.04,12.05,10.019,27.021,26]heptacosa-2(14),3,5,7,9,12,15(27),16,18,21,23,25-dodecaene;22-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-phenyl-4,15,22-triazaheptacyclo[13.11.1.02,14.03,11.05,10.016,21.023,27]heptacosa-1(27),2(14),3(11),5,7,9,12,16,18,20,23,25-dodecaene;22-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenyl-11,15,22-triazaheptacyclo[13.11.1.02,14.04,12.05,10.016,21.023,27]heptacosa-1(27),2,4(12),5(10),6,13,16,18,20,23,25-undecaene has a molecular weight of 1960.30 g/mol, XLogP of 33.36, 12 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 20-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenyl-1,11,20-triazaheptacyclo[13.11.1.02,14.04,12.05,10.019,27.021,26]heptacosa-2(14),3,5,7,9,12,15(27),16,18,21,23,25-dodecaene;22-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-phenyl-4,15,22-triazaheptacyclo[13.11.1.02,14.03,11.05,10.016,21.023,27]heptacosa-1(27),2(14),3(11),5,7,9,12,16,18,20,23,25-dodecaene;22-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenyl-11,15,22-triazaheptacyclo[13.11.1.02,14.04,12.05,10.016,21.023,27]heptacosa-1(27),2,4(12),5(10),6,13,16,18,20,23,25-undecaene is sourced from PubChem (CID 158500793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).