21-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-18-phenyl-9-oxa-18,21-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;18-phenyl-21-(4-phenylquinazolin-2-yl)-9-oxa-18,21-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;18-phenyl-21-[3-(4-phenylquinazolin-2-yl)phenyl]-9-oxa-18,21-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;18-phenyl-21-pyridin-2-yl-9-oxa-18,21-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene

C180H108N16O4 — CID 160680254

About 21-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-18-phenyl-9-oxa-18,21-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;18-phenyl-21-(4-phenylquinazolin-2-yl)-9-oxa-18,21-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;18-phenyl-21-[3-(4-phenylquinazolin-2-yl)phenyl]-9-oxa-18,21-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;18-phenyl-21-pyridin-2-yl-9-oxa-18,21-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene

21-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-18-phenyl-9-oxa-18,21-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;18-phenyl-21-(4-phenylquinazolin-2-yl)-9-oxa-18,21-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;18-phenyl-21-[3-(4-phenylquinazolin-2-yl)phenyl]-9-oxa-18,21-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;18-phenyl-21-pyridin-2-yl-9-oxa-18,21-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene (PubChem CID 160680254) has the molecular formula C180H108N16O4 and a molecular weight of 2558.95 g/mol. Its IUPAC name is 21-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-18-phenyl-9-oxa-18,21-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;18-phenyl-21-(4-phenylquinazolin-2-yl)-9-oxa-18,21-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;18-phenyl-21-[3-(4-phenylquinazolin-2-yl)phenyl]-9-oxa-18,21-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;18-phenyl-21-pyridin-2-yl-9-oxa-18,21-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene.

Molecular Properties

• Compound Name: 21-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-18-phenyl-9-oxa-18,21-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;18-phenyl-21-(4-phenylquinazolin-2-yl)-9-oxa-18,21-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;18-phenyl-21-[3-(4-phenylquinazolin-2-yl)phenyl]-9-oxa-18,21-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;18-phenyl-21-pyridin-2-yl-9-oxa-18,21-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene
• PubChem CID: 160680254
• Molecular Formula: C180H108N16O4
• Molecular Weight: 2558.95 g/mol
• Exact Mass: 2556.87
• IUPAC Name: 21-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-18-phenyl-9-oxa-18,21-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;18-phenyl-21-(4-phenylquinazolin-2-yl)-9-oxa-18,21-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;18-phenyl-21-[3-(4-phenylquinazolin-2-yl)phenyl]-9-oxa-18,21-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;18-phenyl-21-pyridin-2-yl-9-oxa-18,21-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene
• SMILES: c1ccc(-c2nc(-c3cccc(-n4c5ccccc5c5c6c7ccccc7oc6c6c7ccccc7n(-c7ccccc7)c6c54)c3)nc3ccccc23)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5c6c7ccccc7oc6c6c7ccccc7n(-c7ccccc7)c6c54)c3)n2)cc1.c1ccc(-c2nc(-n3c4ccccc4c4c5c6ccccc6oc5c5c6ccccc6n(-c6ccccc6)c5c43)nc3ccccc23)cc1.c1ccc(-n2c3ccccc3c3c4oc5ccccc5c4c4c5ccccc5n(-c5ccccn5)c4c32)cc1
• InChI: InChI=1S/C51H31N5O.C50H30N4O.C44H26N4O.C35H21N3O/c1-4-17-32(18-5-1)49-52-50(33-19-6-2-7-20-33)54-51(53-49)34-21-16-24-36(31-34)56-40-28-13-10-25-37(40)43-44-39-27-12-15-30-42(39)57-48(44)45-38-26-11-14-29-41(38)55(47(45)46(43)56)35-22-8-3-9-23-35;1-3-16-31(17-4-1)46-35-22-7-11-26-39(35)51-50(52-46)32-18-15-21-34(30-32)54-40-27-12-8-23-36(40)43-44-38-25-10-14-29-42(38)55-49(44)45-37-24-9-13-28-41(37)53(48(45)47(43)54)33-19-5-2-6-20-33;1-3-15-27(16-4-1)40-29-19-7-11-23-33(29)45-44(46-40)48-35-25-13-8-20-30(35)37-38-32-22-10-14-26-36(32)49-43(38)39-31-21-9-12-24-34(31)47(42(39)41(37)48)28-17-5-2-6-18-28;1-2-12-22(13-3-1)37-26-17-7-5-15-24(26)32-34(37)33-30(31-25-16-6-9-19-28(25)39-35(31)32)23-14-4-8-18-27(23)38(33)29-20-10-11-21-36-29/h1-31H;1-30H;1-26H;1-21H
• InChIKey: ROAWIFBZLCZBIT-UHFFFAOYSA-N
• XLogP: 46.59
• TPSA: 195.12 Ų
• H-Bond Acceptors: 20
• Rotatable Bonds: 14
• Heavy Atoms: 200
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2558.95
LogP ≤ 5	46.59
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of 21-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-18-phenyl-9-oxa-18,21-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;18-phenyl-21-(4-phenylquinazolin-2-yl)-9-oxa-18,21-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;18-phenyl-21-[3-(4-phenylquinazolin-2-yl)phenyl]-9-oxa-18,21-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;18-phenyl-21-pyridin-2-yl-9-oxa-18,21-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene?

The IUPAC name of 21-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-18-phenyl-9-oxa-18,21-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;18-phenyl-21-(4-phenylquinazolin-2-yl)-9-oxa-18,21-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;18-phenyl-21-[3-(4-phenylquinazolin-2-yl)phenyl]-9-oxa-18,21-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;18-phenyl-21-pyridin-2-yl-9-oxa-18,21-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene (CID 160680254) is 21-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-18-phenyl-9-oxa-18,21-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;18-phenyl-21-(4-phenylquinazolin-2-yl)-9-oxa-18,21-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;18-phenyl-21-[3-(4-phenylquinazolin-2-yl)phenyl]-9-oxa-18,21-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;18-phenyl-21-pyridin-2-yl-9-oxa-18,21-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene.

What is the SMILES notation for 21-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-18-phenyl-9-oxa-18,21-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;18-phenyl-21-(4-phenylquinazolin-2-yl)-9-oxa-18,21-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;18-phenyl-21-[3-(4-phenylquinazolin-2-yl)phenyl]-9-oxa-18,21-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;18-phenyl-21-pyridin-2-yl-9-oxa-18,21-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene?

The canonical SMILES for 21-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-18-phenyl-9-oxa-18,21-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;18-phenyl-21-(4-phenylquinazolin-2-yl)-9-oxa-18,21-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;18-phenyl-21-[3-(4-phenylquinazolin-2-yl)phenyl]-9-oxa-18,21-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;18-phenyl-21-pyridin-2-yl-9-oxa-18,21-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene is c1ccc(-c2nc(-c3cccc(-n4c5ccccc5c5c6c7ccccc7oc6c6c7ccccc7n(-c7ccccc7)c6c54)c3)nc3ccccc23)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5c6c7ccccc7oc6c6c7ccccc7n(-c7ccccc7)c6c54)c3)n2)cc1.c1ccc(-c2nc(-n3c4ccccc4c4c5c6ccccc6oc5c5c6ccccc6n(-c6ccccc6)c5c43)nc3ccccc23)cc1.c1ccc(-n2c3ccccc3c3c4oc5ccccc5c4c4c5ccccc5n(-c5ccccn5)c4c32)cc1.

What is the InChIKey of 21-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-18-phenyl-9-oxa-18,21-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;18-phenyl-21-(4-phenylquinazolin-2-yl)-9-oxa-18,21-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;18-phenyl-21-[3-(4-phenylquinazolin-2-yl)phenyl]-9-oxa-18,21-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;18-phenyl-21-pyridin-2-yl-9-oxa-18,21-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene?

The InChIKey is ROAWIFBZLCZBIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H31N5O.C50H30N4O.C44H26N4O.C35H21N3O/c1-4-17-32(18-5-1)49-52-50(33-19-6-2-7-20-33)54-51(53-49)34-21-16-24-36(31-34)56-40-28-13-10-25-37(40)43-44-39-27-12-15-30-42(39)57-48(44)45-38-26-11-14-29-41(38)55(47(45)46(43)56)35-22-8-3-9-23-35;1-3-16-31(17-4-1)46-35-22-7-11-26-39(35)51-50(52-46)32-18-15-21-34(30-32)54-40-27-12-8-23-36(40)43-44-38-25-10-14-29-42(38)55-49(44)45-37-24-9-13-28-41(37)53(48(45)47(43)54)33-19-5-2-6-20-33;1-3-15-27(16-4-1)40-29-19-7-11-23-33(29)45-44(46-40)48-35-25-13-8-20-30(35)37-38-32-22-10-14-26-36(32)49-43(38)39-31-21-9-12-24-34(31)47(42(39)41(37)48)28-17-5-2-6-18-28;1-2-12-22(13-3-1)37-26-17-7-5-15-24(26)32-34(37)33-30(31-25-16-6-9-19-28(25)39-35(31)32)23-14-4-8-18-27(23)38(33)29-20-10-11-21-36-29/h1-31H;1-30H;1-26H;1-21H.

What are the key properties of 21-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-18-phenyl-9-oxa-18,21-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;18-phenyl-21-(4-phenylquinazolin-2-yl)-9-oxa-18,21-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;18-phenyl-21-[3-(4-phenylquinazolin-2-yl)phenyl]-9-oxa-18,21-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;18-phenyl-21-pyridin-2-yl-9-oxa-18,21-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene?

21-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-18-phenyl-9-oxa-18,21-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;18-phenyl-21-(4-phenylquinazolin-2-yl)-9-oxa-18,21-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;18-phenyl-21-[3-(4-phenylquinazolin-2-yl)phenyl]-9-oxa-18,21-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;18-phenyl-21-pyridin-2-yl-9-oxa-18,21-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene has a molecular weight of 2558.95 g/mol, XLogP of 46.59, 14 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 21-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-18-phenyl-9-oxa-18,21-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;18-phenyl-21-(4-phenylquinazolin-2-yl)-9-oxa-18,21-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;18-phenyl-21-[3-(4-phenylquinazolin-2-yl)phenyl]-9-oxa-18,21-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;18-phenyl-21-pyridin-2-yl-9-oxa-18,21-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene is sourced from PubChem (CID 160680254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).