15-(3-dibenzofuran-1-ylquinoxalin-2-yl)-20-phenyl-10-oxa-15,20-diazaoctacyclo[14.11.0.02,14.03,11.04,9.05,25.019,27.021,26]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),21,23,25-dodecaene;15-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-20-phenyl-10-oxa-15,20-diazaoctacyclo[14.11.0.02,14.03,11.04,9.05,25.019,27.021,26]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),21,23,25-dodecaene;20-phenyl-15-(4-phenylquinazolin-2-yl)-10-oxa-15,20-diazaoctacyclo[14.11.0.02,14.03,11.04,9.05,25.019,27.021,26]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),21,23,25-dodecaene

C145H79N13O4 — CID 163508551

About 15-(3-dibenzofuran-1-ylquinoxalin-2-yl)-20-phenyl-10-oxa-15,20-diazaoctacyclo[14.11.0.02,14.03,11.04,9.05,25.019,27.021,26]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),21,23,25-dodecaene;15-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-20-phenyl-10-oxa-15,20-diazaoctacyclo[14.11.0.02,14.03,11.04,9.05,25.019,27.021,26]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),21,23,25-dodecaene;20-phenyl-15-(4-phenylquinazolin-2-yl)-10-oxa-15,20-diazaoctacyclo[14.11.0.02,14.03,11.04,9.05,25.019,27.021,26]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),21,23,25-dodecaene

15-(3-dibenzofuran-1-ylquinoxalin-2-yl)-20-phenyl-10-oxa-15,20-diazaoctacyclo[14.11.0.02,14.03,11.04,9.05,25.019,27.021,26]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),21,23,25-dodecaene;15-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-20-phenyl-10-oxa-15,20-diazaoctacyclo[14.11.0.02,14.03,11.04,9.05,25.019,27.021,26]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),21,23,25-dodecaene;20-phenyl-15-(4-phenylquinazolin-2-yl)-10-oxa-15,20-diazaoctacyclo[14.11.0.02,14.03,11.04,9.05,25.019,27.021,26]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),21,23,25-dodecaene (PubChem CID 163508551) has the molecular formula C145H79N13O4 and a molecular weight of 2067.31 g/mol. Its IUPAC name is 15-(3-dibenzofuran-1-ylquinoxalin-2-yl)-20-phenyl-10-oxa-15,20-diazaoctacyclo[14.11.0.02,14.03,11.04,9.05,25.019,27.021,26]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),21,23,25-dodecaene;15-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-20-phenyl-10-oxa-15,20-diazaoctacyclo[14.11.0.02,14.03,11.04,9.05,25.019,27.021,26]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),21,23,25-dodecaene;20-phenyl-15-(4-phenylquinazolin-2-yl)-10-oxa-15,20-diazaoctacyclo[14.11.0.02,14.03,11.04,9.05,25.019,27.021,26]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),21,23,25-dodecaene.

Molecular Properties

• Compound Name: 15-(3-dibenzofuran-1-ylquinoxalin-2-yl)-20-phenyl-10-oxa-15,20-diazaoctacyclo[14.11.0.02,14.03,11.04,9.05,25.019,27.021,26]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),21,23,25-dodecaene;15-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-20-phenyl-10-oxa-15,20-diazaoctacyclo[14.11.0.02,14.03,11.04,9.05,25.019,27.021,26]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),21,23,25-dodecaene;20-phenyl-15-(4-phenylquinazolin-2-yl)-10-oxa-15,20-diazaoctacyclo[14.11.0.02,14.03,11.04,9.05,25.019,27.021,26]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),21,23,25-dodecaene
• PubChem CID: 163508551
• Molecular Formula: C145H79N13O4
• Molecular Weight: 2067.31 g/mol
• Exact Mass: 2065.64
• IUPAC Name: 15-(3-dibenzofuran-1-ylquinoxalin-2-yl)-20-phenyl-10-oxa-15,20-diazaoctacyclo[14.11.0.02,14.03,11.04,9.05,25.019,27.021,26]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),21,23,25-dodecaene;15-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-20-phenyl-10-oxa-15,20-diazaoctacyclo[14.11.0.02,14.03,11.04,9.05,25.019,27.021,26]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),21,23,25-dodecaene;20-phenyl-15-(4-phenylquinazolin-2-yl)-10-oxa-15,20-diazaoctacyclo[14.11.0.02,14.03,11.04,9.05,25.019,27.021,26]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),21,23,25-dodecaene
• SMILES: c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccc6oc7cccc8c9cccc%10c9c9c(c5c6c78)c4ccc9n%10-c4ccccc4)cc3)n2)cc1.c1ccc(-c2nc(-n3c4ccc5oc6cccc7c8cccc9c8c8c(c4c5c67)c3ccc8n9-c3ccccc3)nc3ccccc23)cc1.c1ccc(-n2c3cccc4c5cccc6oc7ccc8c(c7c65)c5c(c43)c2ccc5n8-c2nc3ccccc3nc2-c2cccc3oc4ccccc4c23)cc1
• InChI: InChI=1S/C51H29N5O.C50H26N4O2.C44H24N4O/c1-4-12-30(13-5-1)49-52-50(31-14-6-2-7-15-31)54-51(53-49)32-22-24-34(25-23-32)56-39-27-26-38-45-43-35(18-10-20-37(43)55(38)33-16-8-3-9-17-33)36-19-11-21-41-44(36)48-42(57-41)29-28-40(56)47(48)46(39)45;1-2-11-27(12-3-1)53-34-19-8-14-28-29-15-9-22-40-44(29)48-41(56-40)26-25-37-47(48)46-36(24-23-35(53)45(46)43(28)34)54(37)50-49(51-32-17-5-6-18-33(32)52-50)31-16-10-21-39-42(31)30-13-4-7-20-38(30)55-39;1-3-11-25(12-4-1)43-29-15-7-8-18-30(29)45-44(46-43)48-33-22-21-32-39-37-27(16-9-19-31(37)47(32)26-13-5-2-6-14-26)28-17-10-20-35-38(28)42-36(49-35)24-23-34(48)41(42)40(33)39/h1-29H;1-26H;1-24H/b36-35-;29-28-;28-27-
• InChIKey: DARNSTRDMGVZFS-YHBOGIBHSA-N
• XLogP: 37.73
• TPSA: 172.37 Ų
• H-Bond Acceptors: 17
• Rotatable Bonds: 11
• Heavy Atoms: 162
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2067.31
LogP ≤ 5	37.73
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of 15-(3-dibenzofuran-1-ylquinoxalin-2-yl)-20-phenyl-10-oxa-15,20-diazaoctacyclo[14.11.0.02,14.03,11.04,9.05,25.019,27.021,26]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),21,23,25-dodecaene;15-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-20-phenyl-10-oxa-15,20-diazaoctacyclo[14.11.0.02,14.03,11.04,9.05,25.019,27.021,26]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),21,23,25-dodecaene;20-phenyl-15-(4-phenylquinazolin-2-yl)-10-oxa-15,20-diazaoctacyclo[14.11.0.02,14.03,11.04,9.05,25.019,27.021,26]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),21,23,25-dodecaene?

The IUPAC name of 15-(3-dibenzofuran-1-ylquinoxalin-2-yl)-20-phenyl-10-oxa-15,20-diazaoctacyclo[14.11.0.02,14.03,11.04,9.05,25.019,27.021,26]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),21,23,25-dodecaene;15-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-20-phenyl-10-oxa-15,20-diazaoctacyclo[14.11.0.02,14.03,11.04,9.05,25.019,27.021,26]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),21,23,25-dodecaene;20-phenyl-15-(4-phenylquinazolin-2-yl)-10-oxa-15,20-diazaoctacyclo[14.11.0.02,14.03,11.04,9.05,25.019,27.021,26]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),21,23,25-dodecaene (CID 163508551) is 15-(3-dibenzofuran-1-ylquinoxalin-2-yl)-20-phenyl-10-oxa-15,20-diazaoctacyclo[14.11.0.02,14.03,11.04,9.05,25.019,27.021,26]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),21,23,25-dodecaene;15-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-20-phenyl-10-oxa-15,20-diazaoctacyclo[14.11.0.02,14.03,11.04,9.05,25.019,27.021,26]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),21,23,25-dodecaene;20-phenyl-15-(4-phenylquinazolin-2-yl)-10-oxa-15,20-diazaoctacyclo[14.11.0.02,14.03,11.04,9.05,25.019,27.021,26]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),21,23,25-dodecaene.

What is the SMILES notation for 15-(3-dibenzofuran-1-ylquinoxalin-2-yl)-20-phenyl-10-oxa-15,20-diazaoctacyclo[14.11.0.02,14.03,11.04,9.05,25.019,27.021,26]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),21,23,25-dodecaene;15-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-20-phenyl-10-oxa-15,20-diazaoctacyclo[14.11.0.02,14.03,11.04,9.05,25.019,27.021,26]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),21,23,25-dodecaene;20-phenyl-15-(4-phenylquinazolin-2-yl)-10-oxa-15,20-diazaoctacyclo[14.11.0.02,14.03,11.04,9.05,25.019,27.021,26]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),21,23,25-dodecaene?

The canonical SMILES for 15-(3-dibenzofuran-1-ylquinoxalin-2-yl)-20-phenyl-10-oxa-15,20-diazaoctacyclo[14.11.0.02,14.03,11.04,9.05,25.019,27.021,26]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),21,23,25-dodecaene;15-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-20-phenyl-10-oxa-15,20-diazaoctacyclo[14.11.0.02,14.03,11.04,9.05,25.019,27.021,26]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),21,23,25-dodecaene;20-phenyl-15-(4-phenylquinazolin-2-yl)-10-oxa-15,20-diazaoctacyclo[14.11.0.02,14.03,11.04,9.05,25.019,27.021,26]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),21,23,25-dodecaene is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccc6oc7cccc8c9cccc%10c9c9c(c5c6c78)c4ccc9n%10-c4ccccc4)cc3)n2)cc1.c1ccc(-c2nc(-n3c4ccc5oc6cccc7c8cccc9c8c8c(c4c5c67)c3ccc8n9-c3ccccc3)nc3ccccc23)cc1.c1ccc(-n2c3cccc4c5cccc6oc7ccc8c(c7c65)c5c(c43)c2ccc5n8-c2nc3ccccc3nc2-c2cccc3oc4ccccc4c23)cc1.

What is the InChIKey of 15-(3-dibenzofuran-1-ylquinoxalin-2-yl)-20-phenyl-10-oxa-15,20-diazaoctacyclo[14.11.0.02,14.03,11.04,9.05,25.019,27.021,26]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),21,23,25-dodecaene;15-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-20-phenyl-10-oxa-15,20-diazaoctacyclo[14.11.0.02,14.03,11.04,9.05,25.019,27.021,26]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),21,23,25-dodecaene;20-phenyl-15-(4-phenylquinazolin-2-yl)-10-oxa-15,20-diazaoctacyclo[14.11.0.02,14.03,11.04,9.05,25.019,27.021,26]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),21,23,25-dodecaene?

The InChIKey is DARNSTRDMGVZFS-YHBOGIBHSA-N. The full InChI is InChI=1S/C51H29N5O.C50H26N4O2.C44H24N4O/c1-4-12-30(13-5-1)49-52-50(31-14-6-2-7-15-31)54-51(53-49)32-22-24-34(25-23-32)56-39-27-26-38-45-43-35(18-10-20-37(43)55(38)33-16-8-3-9-17-33)36-19-11-21-41-44(36)48-42(57-41)29-28-40(56)47(48)46(39)45;1-2-11-27(12-3-1)53-34-19-8-14-28-29-15-9-22-40-44(29)48-41(56-40)26-25-37-47(48)46-36(24-23-35(53)45(46)43(28)34)54(37)50-49(51-32-17-5-6-18-33(32)52-50)31-16-10-21-39-42(31)30-13-4-7-20-38(30)55-39;1-3-11-25(12-4-1)43-29-15-7-8-18-30(29)45-44(46-43)48-33-22-21-32-39-37-27(16-9-19-31(37)47(32)26-13-5-2-6-14-26)28-17-10-20-35-38(28)42-36(49-35)24-23-34(48)41(42)40(33)39/h1-29H;1-26H;1-24H/b36-35-;29-28-;28-27-.

What are the key properties of 15-(3-dibenzofuran-1-ylquinoxalin-2-yl)-20-phenyl-10-oxa-15,20-diazaoctacyclo[14.11.0.02,14.03,11.04,9.05,25.019,27.021,26]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),21,23,25-dodecaene;15-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-20-phenyl-10-oxa-15,20-diazaoctacyclo[14.11.0.02,14.03,11.04,9.05,25.019,27.021,26]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),21,23,25-dodecaene;20-phenyl-15-(4-phenylquinazolin-2-yl)-10-oxa-15,20-diazaoctacyclo[14.11.0.02,14.03,11.04,9.05,25.019,27.021,26]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),21,23,25-dodecaene?

15-(3-dibenzofuran-1-ylquinoxalin-2-yl)-20-phenyl-10-oxa-15,20-diazaoctacyclo[14.11.0.02,14.03,11.04,9.05,25.019,27.021,26]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),21,23,25-dodecaene;15-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-20-phenyl-10-oxa-15,20-diazaoctacyclo[14.11.0.02,14.03,11.04,9.05,25.019,27.021,26]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),21,23,25-dodecaene;20-phenyl-15-(4-phenylquinazolin-2-yl)-10-oxa-15,20-diazaoctacyclo[14.11.0.02,14.03,11.04,9.05,25.019,27.021,26]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),21,23,25-dodecaene has a molecular weight of 2067.31 g/mol, XLogP of 37.73, 11 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 15-(3-dibenzofuran-1-ylquinoxalin-2-yl)-20-phenyl-10-oxa-15,20-diazaoctacyclo[14.11.0.02,14.03,11.04,9.05,25.019,27.021,26]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),21,23,25-dodecaene;15-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-20-phenyl-10-oxa-15,20-diazaoctacyclo[14.11.0.02,14.03,11.04,9.05,25.019,27.021,26]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),21,23,25-dodecaene;20-phenyl-15-(4-phenylquinazolin-2-yl)-10-oxa-15,20-diazaoctacyclo[14.11.0.02,14.03,11.04,9.05,25.019,27.021,26]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),21,23,25-dodecaene is sourced from PubChem (CID 163508551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).