20-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-oxa-1,20-diazaheptacyclo[13.11.1.02,14.03,11.05,10.019,27.021,26]heptacosa-2(14),3(11),5,7,9,12,15(27),16,18,21,23,25-dodecaene;11-(4,6-diphenyl-1,3,5-triazin-2-yl)-20-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;20-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-phenyl-1,4,20-triazaheptacyclo[13.11.1.02,14.03,11.05,10.019,27.021,26]heptacosa-2(14),3(11),5,7,9,12,15(27),16,18,21,23,25-dodecaene;20-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-phenyl-1,10,20-triazaheptacyclo[13.11.1.02,14.03,11.04,9.019,27.021,26]heptacosa-2(14),3(11),4,6,8,12,15(27),16,18,21,23,25-dodecaene

C174H107N23O — CID 161263528

About 20-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-oxa-1,20-diazaheptacyclo[13.11.1.02,14.03,11.05,10.019,27.021,26]heptacosa-2(14),3(11),5,7,9,12,15(27),16,18,21,23,25-dodecaene;11-(4,6-diphenyl-1,3,5-triazin-2-yl)-20-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;20-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-phenyl-1,4,20-triazaheptacyclo[13.11.1.02,14.03,11.05,10.019,27.021,26]heptacosa-2(14),3(11),5,7,9,12,15(27),16,18,21,23,25-dodecaene;20-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-phenyl-1,10,20-triazaheptacyclo[13.11.1.02,14.03,11.04,9.019,27.021,26]heptacosa-2(14),3(11),4,6,8,12,15(27),16,18,21,23,25-dodecaene

20-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-oxa-1,20-diazaheptacyclo[13.11.1.02,14.03,11.05,10.019,27.021,26]heptacosa-2(14),3(11),5,7,9,12,15(27),16,18,21,23,25-dodecaene;11-(4,6-diphenyl-1,3,5-triazin-2-yl)-20-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;20-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-phenyl-1,4,20-triazaheptacyclo[13.11.1.02,14.03,11.05,10.019,27.021,26]heptacosa-2(14),3(11),5,7,9,12,15(27),16,18,21,23,25-dodecaene;20-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-phenyl-1,10,20-triazaheptacyclo[13.11.1.02,14.03,11.04,9.019,27.021,26]heptacosa-2(14),3(11),4,6,8,12,15(27),16,18,21,23,25-dodecaene (PubChem CID 161263528) has the molecular formula C174H107N23O and a molecular weight of 2535.93 g/mol. Its IUPAC name is 20-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-oxa-1,20-diazaheptacyclo[13.11.1.02,14.03,11.05,10.019,27.021,26]heptacosa-2(14),3(11),5,7,9,12,15(27),16,18,21,23,25-dodecaene;11-(4,6-diphenyl-1,3,5-triazin-2-yl)-20-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;20-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-phenyl-1,4,20-triazaheptacyclo[13.11.1.02,14.03,11.05,10.019,27.021,26]heptacosa-2(14),3(11),5,7,9,12,15(27),16,18,21,23,25-dodecaene;20-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-phenyl-1,10,20-triazaheptacyclo[13.11.1.02,14.03,11.04,9.019,27.021,26]heptacosa-2(14),3(11),4,6,8,12,15(27),16,18,21,23,25-dodecaene.

Molecular Properties

• Compound Name: 20-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-oxa-1,20-diazaheptacyclo[13.11.1.02,14.03,11.05,10.019,27.021,26]heptacosa-2(14),3(11),5,7,9,12,15(27),16,18,21,23,25-dodecaene;11-(4,6-diphenyl-1,3,5-triazin-2-yl)-20-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;20-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-phenyl-1,4,20-triazaheptacyclo[13.11.1.02,14.03,11.05,10.019,27.021,26]heptacosa-2(14),3(11),5,7,9,12,15(27),16,18,21,23,25-dodecaene;20-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-phenyl-1,10,20-triazaheptacyclo[13.11.1.02,14.03,11.04,9.019,27.021,26]heptacosa-2(14),3(11),4,6,8,12,15(27),16,18,21,23,25-dodecaene
• PubChem CID: 161263528
• Molecular Formula: C174H107N23O
• Molecular Weight: 2535.93 g/mol
• Exact Mass: 2533.90
• IUPAC Name: 20-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-oxa-1,20-diazaheptacyclo[13.11.1.02,14.03,11.05,10.019,27.021,26]heptacosa-2(14),3(11),5,7,9,12,15(27),16,18,21,23,25-dodecaene;11-(4,6-diphenyl-1,3,5-triazin-2-yl)-20-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;20-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-phenyl-1,4,20-triazaheptacyclo[13.11.1.02,14.03,11.05,10.019,27.021,26]heptacosa-2(14),3(11),5,7,9,12,15(27),16,18,21,23,25-dodecaene;20-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-phenyl-1,10,20-triazaheptacyclo[13.11.1.02,14.03,11.04,9.019,27.021,26]heptacosa-2(14),3(11),4,6,8,12,15(27),16,18,21,23,25-dodecaene
• SMILES: c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc5c(cc43)c3cccc4c3n5-c3ccccc3N4c3ccccc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(N3c4ccccc4-n4c5c3cccc5c3ccc5c(c6ccccc6n5-c5ccccc5)c34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(N3c4ccccc4-n4c5c3cccc5c3ccc5c6ccccc6n(-c6ccccc6)c5c34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(N3c4ccccc4-n4c5c3cccc5c3ccc5c6ccccc6oc5c34)n2)cc1
• InChI: InChI=1S/3C45H28N6.C39H23N5O/c1-4-15-29(16-5-1)43-46-44(30-17-6-2-7-18-30)48-45(47-43)51-36-23-11-10-21-32(36)34-27-40-35(28-41(34)51)33-22-14-26-39-42(33)50(40)38-25-13-12-24-37(38)49(39)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)50-36-24-12-13-25-37(36)51-41-32(22-14-26-39(41)50)33-27-28-38-40(42(33)51)34-21-10-11-23-35(34)49(38)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)50-37-24-12-13-25-38(37)51-40-33(22-14-26-39(40)50)35-28-27-34-32-21-10-11-23-36(32)49(41(34)42(35)51)31-19-8-3-9-20-31;1-3-12-24(13-4-1)37-40-38(25-14-5-2-6-15-25)42-39(41-37)43-30-18-8-9-19-31(30)44-34-27(17-11-20-32(34)43)28-22-23-29-26-16-7-10-21-33(26)45-36(29)35(28)44/h3*1-28H;1-23H
• InChIKey: VCWIQSPAZWWWSJ-UHFFFAOYSA-N
• XLogP: 43.53
• TPSA: 215.29 Ų
• H-Bond Acceptors: 24
• Rotatable Bonds: 15
• Heavy Atoms: 198
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2535.93
LogP ≤ 5	43.53
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of 20-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-oxa-1,20-diazaheptacyclo[13.11.1.02,14.03,11.05,10.019,27.021,26]heptacosa-2(14),3(11),5,7,9,12,15(27),16,18,21,23,25-dodecaene;11-(4,6-diphenyl-1,3,5-triazin-2-yl)-20-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;20-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-phenyl-1,4,20-triazaheptacyclo[13.11.1.02,14.03,11.05,10.019,27.021,26]heptacosa-2(14),3(11),5,7,9,12,15(27),16,18,21,23,25-dodecaene;20-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-phenyl-1,10,20-triazaheptacyclo[13.11.1.02,14.03,11.04,9.019,27.021,26]heptacosa-2(14),3(11),4,6,8,12,15(27),16,18,21,23,25-dodecaene?

The IUPAC name of 20-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-oxa-1,20-diazaheptacyclo[13.11.1.02,14.03,11.05,10.019,27.021,26]heptacosa-2(14),3(11),5,7,9,12,15(27),16,18,21,23,25-dodecaene;11-(4,6-diphenyl-1,3,5-triazin-2-yl)-20-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;20-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-phenyl-1,4,20-triazaheptacyclo[13.11.1.02,14.03,11.05,10.019,27.021,26]heptacosa-2(14),3(11),5,7,9,12,15(27),16,18,21,23,25-dodecaene;20-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-phenyl-1,10,20-triazaheptacyclo[13.11.1.02,14.03,11.04,9.019,27.021,26]heptacosa-2(14),3(11),4,6,8,12,15(27),16,18,21,23,25-dodecaene (CID 161263528) is 20-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-oxa-1,20-diazaheptacyclo[13.11.1.02,14.03,11.05,10.019,27.021,26]heptacosa-2(14),3(11),5,7,9,12,15(27),16,18,21,23,25-dodecaene;11-(4,6-diphenyl-1,3,5-triazin-2-yl)-20-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;20-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-phenyl-1,4,20-triazaheptacyclo[13.11.1.02,14.03,11.05,10.019,27.021,26]heptacosa-2(14),3(11),5,7,9,12,15(27),16,18,21,23,25-dodecaene;20-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-phenyl-1,10,20-triazaheptacyclo[13.11.1.02,14.03,11.04,9.019,27.021,26]heptacosa-2(14),3(11),4,6,8,12,15(27),16,18,21,23,25-dodecaene.

What is the SMILES notation for 20-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-oxa-1,20-diazaheptacyclo[13.11.1.02,14.03,11.05,10.019,27.021,26]heptacosa-2(14),3(11),5,7,9,12,15(27),16,18,21,23,25-dodecaene;11-(4,6-diphenyl-1,3,5-triazin-2-yl)-20-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;20-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-phenyl-1,4,20-triazaheptacyclo[13.11.1.02,14.03,11.05,10.019,27.021,26]heptacosa-2(14),3(11),5,7,9,12,15(27),16,18,21,23,25-dodecaene;20-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-phenyl-1,10,20-triazaheptacyclo[13.11.1.02,14.03,11.04,9.019,27.021,26]heptacosa-2(14),3(11),4,6,8,12,15(27),16,18,21,23,25-dodecaene?

The canonical SMILES for 20-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-oxa-1,20-diazaheptacyclo[13.11.1.02,14.03,11.05,10.019,27.021,26]heptacosa-2(14),3(11),5,7,9,12,15(27),16,18,21,23,25-dodecaene;11-(4,6-diphenyl-1,3,5-triazin-2-yl)-20-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;20-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-phenyl-1,4,20-triazaheptacyclo[13.11.1.02,14.03,11.05,10.019,27.021,26]heptacosa-2(14),3(11),5,7,9,12,15(27),16,18,21,23,25-dodecaene;20-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-phenyl-1,10,20-triazaheptacyclo[13.11.1.02,14.03,11.04,9.019,27.021,26]heptacosa-2(14),3(11),4,6,8,12,15(27),16,18,21,23,25-dodecaene is c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc5c(cc43)c3cccc4c3n5-c3ccccc3N4c3ccccc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(N3c4ccccc4-n4c5c3cccc5c3ccc5c(c6ccccc6n5-c5ccccc5)c34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(N3c4ccccc4-n4c5c3cccc5c3ccc5c6ccccc6n(-c6ccccc6)c5c34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(N3c4ccccc4-n4c5c3cccc5c3ccc5c6ccccc6oc5c34)n2)cc1.

What is the InChIKey of 20-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-oxa-1,20-diazaheptacyclo[13.11.1.02,14.03,11.05,10.019,27.021,26]heptacosa-2(14),3(11),5,7,9,12,15(27),16,18,21,23,25-dodecaene;11-(4,6-diphenyl-1,3,5-triazin-2-yl)-20-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;20-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-phenyl-1,4,20-triazaheptacyclo[13.11.1.02,14.03,11.05,10.019,27.021,26]heptacosa-2(14),3(11),5,7,9,12,15(27),16,18,21,23,25-dodecaene;20-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-phenyl-1,10,20-triazaheptacyclo[13.11.1.02,14.03,11.04,9.019,27.021,26]heptacosa-2(14),3(11),4,6,8,12,15(27),16,18,21,23,25-dodecaene?

The InChIKey is VCWIQSPAZWWWSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/3C45H28N6.C39H23N5O/c1-4-15-29(16-5-1)43-46-44(30-17-6-2-7-18-30)48-45(47-43)51-36-23-11-10-21-32(36)34-27-40-35(28-41(34)51)33-22-14-26-39-42(33)50(40)38-25-13-12-24-37(38)49(39)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)50-36-24-12-13-25-37(36)51-41-32(22-14-26-39(41)50)33-27-28-38-40(42(33)51)34-21-10-11-23-35(34)49(38)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)50-37-24-12-13-25-38(37)51-40-33(22-14-26-39(40)50)35-28-27-34-32-21-10-11-23-36(32)49(41(34)42(35)51)31-19-8-3-9-20-31;1-3-12-24(13-4-1)37-40-38(25-14-5-2-6-15-25)42-39(41-37)43-30-18-8-9-19-31(30)44-34-27(17-11-20-32(34)43)28-22-23-29-26-16-7-10-21-33(26)45-36(29)35(28)44/h3*1-28H;1-23H.

What are the key properties of 20-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-oxa-1,20-diazaheptacyclo[13.11.1.02,14.03,11.05,10.019,27.021,26]heptacosa-2(14),3(11),5,7,9,12,15(27),16,18,21,23,25-dodecaene;11-(4,6-diphenyl-1,3,5-triazin-2-yl)-20-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;20-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-phenyl-1,4,20-triazaheptacyclo[13.11.1.02,14.03,11.05,10.019,27.021,26]heptacosa-2(14),3(11),5,7,9,12,15(27),16,18,21,23,25-dodecaene;20-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-phenyl-1,10,20-triazaheptacyclo[13.11.1.02,14.03,11.04,9.019,27.021,26]heptacosa-2(14),3(11),4,6,8,12,15(27),16,18,21,23,25-dodecaene?

20-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-oxa-1,20-diazaheptacyclo[13.11.1.02,14.03,11.05,10.019,27.021,26]heptacosa-2(14),3(11),5,7,9,12,15(27),16,18,21,23,25-dodecaene;11-(4,6-diphenyl-1,3,5-triazin-2-yl)-20-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;20-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-phenyl-1,4,20-triazaheptacyclo[13.11.1.02,14.03,11.05,10.019,27.021,26]heptacosa-2(14),3(11),5,7,9,12,15(27),16,18,21,23,25-dodecaene;20-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-phenyl-1,10,20-triazaheptacyclo[13.11.1.02,14.03,11.04,9.019,27.021,26]heptacosa-2(14),3(11),4,6,8,12,15(27),16,18,21,23,25-dodecaene has a molecular weight of 2535.93 g/mol, XLogP of 43.53, 15 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 20-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-oxa-1,20-diazaheptacyclo[13.11.1.02,14.03,11.05,10.019,27.021,26]heptacosa-2(14),3(11),5,7,9,12,15(27),16,18,21,23,25-dodecaene;11-(4,6-diphenyl-1,3,5-triazin-2-yl)-20-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;20-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-phenyl-1,4,20-triazaheptacyclo[13.11.1.02,14.03,11.05,10.019,27.021,26]heptacosa-2(14),3(11),5,7,9,12,15(27),16,18,21,23,25-dodecaene;20-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-phenyl-1,10,20-triazaheptacyclo[13.11.1.02,14.03,11.04,9.019,27.021,26]heptacosa-2(14),3(11),4,6,8,12,15(27),16,18,21,23,25-dodecaene is sourced from PubChem (CID 161263528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).