19-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-10,18,20-triazahexacyclo[16.6.1.02,11.04,9.012,17.021,25]pentacosa-1(25),2,4,6,8,10,12,14,16,19,21,23-dodecaene;19-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-3,18,20-triazahexacyclo[16.6.1.02,11.04,9.012,17.021,25]pentacosa-1(25),2,4,6,8,10,12,14,16,19,21,23-dodecaene;19-[3-[3-(3-fluoranthen-3-ylphenyl)phenyl]phenyl]-18,20-diazahexacyclo[16.6.1.02,11.03,8.012,17.021,25]pentacosa-1(25),2(11),3,5,7,9,12,14,16,19,21,23-dodecaene

C155H94N14 — CID 157404052

About 19-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-10,18,20-triazahexacyclo[16.6.1.02,11.04,9.012,17.021,25]pentacosa-1(25),2,4,6,8,10,12,14,16,19,21,23-dodecaene;19-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-3,18,20-triazahexacyclo[16.6.1.02,11.04,9.012,17.021,25]pentacosa-1(25),2,4,6,8,10,12,14,16,19,21,23-dodecaene;19-[3-[3-(3-fluoranthen-3-ylphenyl)phenyl]phenyl]-18,20-diazahexacyclo[16.6.1.02,11.03,8.012,17.021,25]pentacosa-1(25),2(11),3,5,7,9,12,14,16,19,21,23-dodecaene

19-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-10,18,20-triazahexacyclo[16.6.1.02,11.04,9.012,17.021,25]pentacosa-1(25),2,4,6,8,10,12,14,16,19,21,23-dodecaene;19-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-3,18,20-triazahexacyclo[16.6.1.02,11.04,9.012,17.021,25]pentacosa-1(25),2,4,6,8,10,12,14,16,19,21,23-dodecaene;19-[3-[3-(3-fluoranthen-3-ylphenyl)phenyl]phenyl]-18,20-diazahexacyclo[16.6.1.02,11.03,8.012,17.021,25]pentacosa-1(25),2(11),3,5,7,9,12,14,16,19,21,23-dodecaene (PubChem CID 157404052) has the molecular formula C155H94N14 and a molecular weight of 2152.55 g/mol. Its IUPAC name is 19-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-10,18,20-triazahexacyclo[16.6.1.02,11.04,9.012,17.021,25]pentacosa-1(25),2,4,6,8,10,12,14,16,19,21,23-dodecaene;19-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-3,18,20-triazahexacyclo[16.6.1.02,11.04,9.012,17.021,25]pentacosa-1(25),2,4,6,8,10,12,14,16,19,21,23-dodecaene;19-[3-[3-(3-fluoranthen-3-ylphenyl)phenyl]phenyl]-18,20-diazahexacyclo[16.6.1.02,11.03,8.012,17.021,25]pentacosa-1(25),2(11),3,5,7,9,12,14,16,19,21,23-dodecaene.

Molecular Properties

• Compound Name: 19-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-10,18,20-triazahexacyclo[16.6.1.02,11.04,9.012,17.021,25]pentacosa-1(25),2,4,6,8,10,12,14,16,19,21,23-dodecaene;19-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-3,18,20-triazahexacyclo[16.6.1.02,11.04,9.012,17.021,25]pentacosa-1(25),2,4,6,8,10,12,14,16,19,21,23-dodecaene;19-[3-[3-(3-fluoranthen-3-ylphenyl)phenyl]phenyl]-18,20-diazahexacyclo[16.6.1.02,11.03,8.012,17.021,25]pentacosa-1(25),2(11),3,5,7,9,12,14,16,19,21,23-dodecaene
• PubChem CID: 157404052
• Molecular Formula: C155H94N14
• Molecular Weight: 2152.55 g/mol
• Exact Mass: 2150.78
• IUPAC Name: 19-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-10,18,20-triazahexacyclo[16.6.1.02,11.04,9.012,17.021,25]pentacosa-1(25),2,4,6,8,10,12,14,16,19,21,23-dodecaene;19-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-3,18,20-triazahexacyclo[16.6.1.02,11.04,9.012,17.021,25]pentacosa-1(25),2,4,6,8,10,12,14,16,19,21,23-dodecaene;19-[3-[3-(3-fluoranthen-3-ylphenyl)phenyl]phenyl]-18,20-diazahexacyclo[16.6.1.02,11.03,8.012,17.021,25]pentacosa-1(25),2(11),3,5,7,9,12,14,16,19,21,23-dodecaene
• SMILES: c1cc(-c2cccc(-c3ccc4c5c(cccc35)-c3ccccc3-4)c2)cc(-c2cccc(-c3nc4cccc5c4n3-c3ccccc3-c3ccc4ccccc4c3-5)c2)c1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccc(-c5nc6cccc7c6n5-c5ccccc5-c5cc6ccccc6nc5-7)cc4)c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cccc(-c5nc6cccc7c6n5-c5ccccc5-c5nc6ccccc6cc5-7)c4)c3)n2)cc1
• InChI: InChI=1S/C57H34N2.2C49H30N6/c1-2-19-43-35(12-1)28-29-50-46-22-5-6-27-53(46)59-56-51(54(43)50)25-11-26-52(56)58-57(59)41-18-9-16-39(34-41)37-14-7-13-36(32-37)38-15-8-17-40(33-38)42-30-31-49-45-21-4-3-20-44(45)48-24-10-23-47(42)55(48)49;1-3-14-31(15-4-1)46-52-47(32-16-5-2-6-17-32)54-48(53-46)36-21-11-19-33(28-36)34-20-12-22-37(29-34)49-51-42-26-13-24-38-40-30-35-18-7-9-25-41(35)50-44(40)39-23-8-10-27-43(39)55(49)45(38)42;1-3-13-32(14-4-1)46-52-47(33-15-5-2-6-16-33)54-48(53-46)37-19-11-18-35(29-37)31-25-27-34(28-26-31)49-51-42-23-12-21-39-44-40(30-36-17-7-9-22-41(36)50-44)38-20-8-10-24-43(38)55(49)45(39)42/h1-34H;2*1-30H
• InChIKey: BNMVBQXPTDXRBW-UHFFFAOYSA-N
• XLogP: 38.78
• TPSA: 156.58 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 14
• Heavy Atoms: 169
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2152.55
LogP ≤ 5	38.78
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of 19-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-10,18,20-triazahexacyclo[16.6.1.02,11.04,9.012,17.021,25]pentacosa-1(25),2,4,6,8,10,12,14,16,19,21,23-dodecaene;19-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-3,18,20-triazahexacyclo[16.6.1.02,11.04,9.012,17.021,25]pentacosa-1(25),2,4,6,8,10,12,14,16,19,21,23-dodecaene;19-[3-[3-(3-fluoranthen-3-ylphenyl)phenyl]phenyl]-18,20-diazahexacyclo[16.6.1.02,11.03,8.012,17.021,25]pentacosa-1(25),2(11),3,5,7,9,12,14,16,19,21,23-dodecaene?

The IUPAC name of 19-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-10,18,20-triazahexacyclo[16.6.1.02,11.04,9.012,17.021,25]pentacosa-1(25),2,4,6,8,10,12,14,16,19,21,23-dodecaene;19-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-3,18,20-triazahexacyclo[16.6.1.02,11.04,9.012,17.021,25]pentacosa-1(25),2,4,6,8,10,12,14,16,19,21,23-dodecaene;19-[3-[3-(3-fluoranthen-3-ylphenyl)phenyl]phenyl]-18,20-diazahexacyclo[16.6.1.02,11.03,8.012,17.021,25]pentacosa-1(25),2(11),3,5,7,9,12,14,16,19,21,23-dodecaene (CID 157404052) is 19-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-10,18,20-triazahexacyclo[16.6.1.02,11.04,9.012,17.021,25]pentacosa-1(25),2,4,6,8,10,12,14,16,19,21,23-dodecaene;19-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-3,18,20-triazahexacyclo[16.6.1.02,11.04,9.012,17.021,25]pentacosa-1(25),2,4,6,8,10,12,14,16,19,21,23-dodecaene;19-[3-[3-(3-fluoranthen-3-ylphenyl)phenyl]phenyl]-18,20-diazahexacyclo[16.6.1.02,11.03,8.012,17.021,25]pentacosa-1(25),2(11),3,5,7,9,12,14,16,19,21,23-dodecaene.

What is the SMILES notation for 19-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-10,18,20-triazahexacyclo[16.6.1.02,11.04,9.012,17.021,25]pentacosa-1(25),2,4,6,8,10,12,14,16,19,21,23-dodecaene;19-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-3,18,20-triazahexacyclo[16.6.1.02,11.04,9.012,17.021,25]pentacosa-1(25),2,4,6,8,10,12,14,16,19,21,23-dodecaene;19-[3-[3-(3-fluoranthen-3-ylphenyl)phenyl]phenyl]-18,20-diazahexacyclo[16.6.1.02,11.03,8.012,17.021,25]pentacosa-1(25),2(11),3,5,7,9,12,14,16,19,21,23-dodecaene?

The canonical SMILES for 19-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-10,18,20-triazahexacyclo[16.6.1.02,11.04,9.012,17.021,25]pentacosa-1(25),2,4,6,8,10,12,14,16,19,21,23-dodecaene;19-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-3,18,20-triazahexacyclo[16.6.1.02,11.04,9.012,17.021,25]pentacosa-1(25),2,4,6,8,10,12,14,16,19,21,23-dodecaene;19-[3-[3-(3-fluoranthen-3-ylphenyl)phenyl]phenyl]-18,20-diazahexacyclo[16.6.1.02,11.03,8.012,17.021,25]pentacosa-1(25),2(11),3,5,7,9,12,14,16,19,21,23-dodecaene is c1cc(-c2cccc(-c3ccc4c5c(cccc35)-c3ccccc3-4)c2)cc(-c2cccc(-c3nc4cccc5c4n3-c3ccccc3-c3ccc4ccccc4c3-5)c2)c1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccc(-c5nc6cccc7c6n5-c5ccccc5-c5cc6ccccc6nc5-7)cc4)c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cccc(-c5nc6cccc7c6n5-c5ccccc5-c5nc6ccccc6cc5-7)c4)c3)n2)cc1.

What is the InChIKey of 19-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-10,18,20-triazahexacyclo[16.6.1.02,11.04,9.012,17.021,25]pentacosa-1(25),2,4,6,8,10,12,14,16,19,21,23-dodecaene;19-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-3,18,20-triazahexacyclo[16.6.1.02,11.04,9.012,17.021,25]pentacosa-1(25),2,4,6,8,10,12,14,16,19,21,23-dodecaene;19-[3-[3-(3-fluoranthen-3-ylphenyl)phenyl]phenyl]-18,20-diazahexacyclo[16.6.1.02,11.03,8.012,17.021,25]pentacosa-1(25),2(11),3,5,7,9,12,14,16,19,21,23-dodecaene?

The InChIKey is BNMVBQXPTDXRBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H34N2.2C49H30N6/c1-2-19-43-35(12-1)28-29-50-46-22-5-6-27-53(46)59-56-51(54(43)50)25-11-26-52(56)58-57(59)41-18-9-16-39(34-41)37-14-7-13-36(32-37)38-15-8-17-40(33-38)42-30-31-49-45-21-4-3-20-44(45)48-24-10-23-47(42)55(48)49;1-3-14-31(15-4-1)46-52-47(32-16-5-2-6-17-32)54-48(53-46)36-21-11-19-33(28-36)34-20-12-22-37(29-34)49-51-42-26-13-24-38-40-30-35-18-7-9-25-41(35)50-44(40)39-23-8-10-27-43(39)55(49)45(38)42;1-3-13-32(14-4-1)46-52-47(33-15-5-2-6-16-33)54-48(53-46)37-19-11-18-35(29-37)31-25-27-34(28-26-31)49-51-42-23-12-21-39-44-40(30-36-17-7-9-22-41(36)50-44)38-20-8-10-24-43(38)55(49)45(39)42/h1-34H;2*1-30H.

What are the key properties of 19-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-10,18,20-triazahexacyclo[16.6.1.02,11.04,9.012,17.021,25]pentacosa-1(25),2,4,6,8,10,12,14,16,19,21,23-dodecaene;19-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-3,18,20-triazahexacyclo[16.6.1.02,11.04,9.012,17.021,25]pentacosa-1(25),2,4,6,8,10,12,14,16,19,21,23-dodecaene;19-[3-[3-(3-fluoranthen-3-ylphenyl)phenyl]phenyl]-18,20-diazahexacyclo[16.6.1.02,11.03,8.012,17.021,25]pentacosa-1(25),2(11),3,5,7,9,12,14,16,19,21,23-dodecaene?

19-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-10,18,20-triazahexacyclo[16.6.1.02,11.04,9.012,17.021,25]pentacosa-1(25),2,4,6,8,10,12,14,16,19,21,23-dodecaene;19-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-3,18,20-triazahexacyclo[16.6.1.02,11.04,9.012,17.021,25]pentacosa-1(25),2,4,6,8,10,12,14,16,19,21,23-dodecaene;19-[3-[3-(3-fluoranthen-3-ylphenyl)phenyl]phenyl]-18,20-diazahexacyclo[16.6.1.02,11.03,8.012,17.021,25]pentacosa-1(25),2(11),3,5,7,9,12,14,16,19,21,23-dodecaene has a molecular weight of 2152.55 g/mol, XLogP of 38.78, 14 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 19-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-10,18,20-triazahexacyclo[16.6.1.02,11.04,9.012,17.021,25]pentacosa-1(25),2,4,6,8,10,12,14,16,19,21,23-dodecaene;19-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-3,18,20-triazahexacyclo[16.6.1.02,11.04,9.012,17.021,25]pentacosa-1(25),2,4,6,8,10,12,14,16,19,21,23-dodecaene;19-[3-[3-(3-fluoranthen-3-ylphenyl)phenyl]phenyl]-18,20-diazahexacyclo[16.6.1.02,11.03,8.012,17.021,25]pentacosa-1(25),2(11),3,5,7,9,12,14,16,19,21,23-dodecaene is sourced from PubChem (CID 157404052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).