25-(3-dibenzofuran-1-ylquinoxalin-2-yl)-26-phenyl-25,26-diazaheptacyclo[20.2.1.110,13.05,24.06,11.012,17.018,23]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaene;25-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-26-phenyl-25,26-diazaheptacyclo[20.2.1.110,13.05,24.06,11.012,17.018,23]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaene;25-phenyl-26-(4-phenylquinazolin-2-yl)-25,26-diazaheptacyclo[20.2.1.110,13.05,24.06,11.012,17.018,23]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaene

C145H85N13O — CID 163635567

About 25-(3-dibenzofuran-1-ylquinoxalin-2-yl)-26-phenyl-25,26-diazaheptacyclo[20.2.1.110,13.05,24.06,11.012,17.018,23]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaene;25-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-26-phenyl-25,26-diazaheptacyclo[20.2.1.110,13.05,24.06,11.012,17.018,23]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaene;25-phenyl-26-(4-phenylquinazolin-2-yl)-25,26-diazaheptacyclo[20.2.1.110,13.05,24.06,11.012,17.018,23]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaene

25-(3-dibenzofuran-1-ylquinoxalin-2-yl)-26-phenyl-25,26-diazaheptacyclo[20.2.1.110,13.05,24.06,11.012,17.018,23]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaene;25-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-26-phenyl-25,26-diazaheptacyclo[20.2.1.110,13.05,24.06,11.012,17.018,23]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaene;25-phenyl-26-(4-phenylquinazolin-2-yl)-25,26-diazaheptacyclo[20.2.1.110,13.05,24.06,11.012,17.018,23]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaene (PubChem CID 163635567) has the molecular formula C145H85N13O and a molecular weight of 2025.37 g/mol. Its IUPAC name is 25-(3-dibenzofuran-1-ylquinoxalin-2-yl)-26-phenyl-25,26-diazaheptacyclo[20.2.1.110,13.05,24.06,11.012,17.018,23]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaene;25-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-26-phenyl-25,26-diazaheptacyclo[20.2.1.110,13.05,24.06,11.012,17.018,23]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaene;25-phenyl-26-(4-phenylquinazolin-2-yl)-25,26-diazaheptacyclo[20.2.1.110,13.05,24.06,11.012,17.018,23]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaene.

Molecular Properties

• Compound Name: 25-(3-dibenzofuran-1-ylquinoxalin-2-yl)-26-phenyl-25,26-diazaheptacyclo[20.2.1.110,13.05,24.06,11.012,17.018,23]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaene;25-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-26-phenyl-25,26-diazaheptacyclo[20.2.1.110,13.05,24.06,11.012,17.018,23]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaene;25-phenyl-26-(4-phenylquinazolin-2-yl)-25,26-diazaheptacyclo[20.2.1.110,13.05,24.06,11.012,17.018,23]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaene
• PubChem CID: 163635567
• Molecular Formula: C145H85N13O
• Molecular Weight: 2025.37 g/mol
• Exact Mass: 2023.70
• IUPAC Name: 25-(3-dibenzofuran-1-ylquinoxalin-2-yl)-26-phenyl-25,26-diazaheptacyclo[20.2.1.110,13.05,24.06,11.012,17.018,23]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaene;25-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-26-phenyl-25,26-diazaheptacyclo[20.2.1.110,13.05,24.06,11.012,17.018,23]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaene;25-phenyl-26-(4-phenylquinazolin-2-yl)-25,26-diazaheptacyclo[20.2.1.110,13.05,24.06,11.012,17.018,23]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaene
• SMILES: c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5cccc6c7cccc8c7c7c(cccc7n8-c7ccccc7)c7cccc4c7c65)cc3)n2)cc1.c1ccc(-c2nc(-n3c4cccc5c6cccc7c6c6c(cccc6n7-c6ccccc6)c6cccc3c6c54)nc3ccccc23)cc1.c1ccc(-n2c3cccc4c5cccc6c5c5c(cccc5n6-c5nc6ccccc6nc5-c5cccc6oc7ccccc7c56)c5cccc2c5c43)cc1
• InChI: InChI=1S/C51H31N5.C50H28N4O.C44H26N4/c1-4-14-32(15-5-1)49-52-50(33-16-6-2-7-17-33)54-51(53-49)34-28-30-36(31-29-34)56-43-26-12-22-39-37-20-10-24-41-45(37)46-38(40-23-13-27-44(56)48(40)47(39)43)21-11-25-42(46)55(41)35-18-8-3-9-19-35;1-2-13-29(14-3-1)53-38-23-8-16-30-32-18-10-25-40-47(32)48-33(31-17-9-24-39(53)46(31)45(30)38)19-11-26-41(48)54(40)50-49(51-36-21-5-6-22-37(36)52-50)35-20-12-28-43-44(35)34-15-4-7-27-42(34)55-43;1-3-13-27(14-4-1)43-33-17-7-8-22-34(33)45-44(46-43)48-37-25-11-20-31-29-18-9-23-35-39(29)40-30(32-21-12-26-38(48)42(32)41(31)37)19-10-24-36(40)47(35)28-15-5-2-6-16-28/h1-31H;1-28H;1-26H/b39-37-,40-38-;32-30-,33-31-;31-29-,32-30-
• InChIKey: HZUIJEMHEIVDMD-RAUWRECZSA-N
• XLogP: 37.18
• TPSA: 132.95 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 11
• Heavy Atoms: 159
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2025.37
LogP ≤ 5	37.18
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of 25-(3-dibenzofuran-1-ylquinoxalin-2-yl)-26-phenyl-25,26-diazaheptacyclo[20.2.1.110,13.05,24.06,11.012,17.018,23]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaene;25-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-26-phenyl-25,26-diazaheptacyclo[20.2.1.110,13.05,24.06,11.012,17.018,23]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaene;25-phenyl-26-(4-phenylquinazolin-2-yl)-25,26-diazaheptacyclo[20.2.1.110,13.05,24.06,11.012,17.018,23]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaene?

The IUPAC name of 25-(3-dibenzofuran-1-ylquinoxalin-2-yl)-26-phenyl-25,26-diazaheptacyclo[20.2.1.110,13.05,24.06,11.012,17.018,23]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaene;25-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-26-phenyl-25,26-diazaheptacyclo[20.2.1.110,13.05,24.06,11.012,17.018,23]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaene;25-phenyl-26-(4-phenylquinazolin-2-yl)-25,26-diazaheptacyclo[20.2.1.110,13.05,24.06,11.012,17.018,23]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaene (CID 163635567) is 25-(3-dibenzofuran-1-ylquinoxalin-2-yl)-26-phenyl-25,26-diazaheptacyclo[20.2.1.110,13.05,24.06,11.012,17.018,23]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaene;25-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-26-phenyl-25,26-diazaheptacyclo[20.2.1.110,13.05,24.06,11.012,17.018,23]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaene;25-phenyl-26-(4-phenylquinazolin-2-yl)-25,26-diazaheptacyclo[20.2.1.110,13.05,24.06,11.012,17.018,23]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaene.

What is the SMILES notation for 25-(3-dibenzofuran-1-ylquinoxalin-2-yl)-26-phenyl-25,26-diazaheptacyclo[20.2.1.110,13.05,24.06,11.012,17.018,23]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaene;25-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-26-phenyl-25,26-diazaheptacyclo[20.2.1.110,13.05,24.06,11.012,17.018,23]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaene;25-phenyl-26-(4-phenylquinazolin-2-yl)-25,26-diazaheptacyclo[20.2.1.110,13.05,24.06,11.012,17.018,23]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaene?

The canonical SMILES for 25-(3-dibenzofuran-1-ylquinoxalin-2-yl)-26-phenyl-25,26-diazaheptacyclo[20.2.1.110,13.05,24.06,11.012,17.018,23]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaene;25-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-26-phenyl-25,26-diazaheptacyclo[20.2.1.110,13.05,24.06,11.012,17.018,23]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaene;25-phenyl-26-(4-phenylquinazolin-2-yl)-25,26-diazaheptacyclo[20.2.1.110,13.05,24.06,11.012,17.018,23]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaene is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5cccc6c7cccc8c7c7c(cccc7n8-c7ccccc7)c7cccc4c7c65)cc3)n2)cc1.c1ccc(-c2nc(-n3c4cccc5c6cccc7c6c6c(cccc6n7-c6ccccc6)c6cccc3c6c54)nc3ccccc23)cc1.c1ccc(-n2c3cccc4c5cccc6c5c5c(cccc5n6-c5nc6ccccc6nc5-c5cccc6oc7ccccc7c56)c5cccc2c5c43)cc1.

What is the InChIKey of 25-(3-dibenzofuran-1-ylquinoxalin-2-yl)-26-phenyl-25,26-diazaheptacyclo[20.2.1.110,13.05,24.06,11.012,17.018,23]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaene;25-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-26-phenyl-25,26-diazaheptacyclo[20.2.1.110,13.05,24.06,11.012,17.018,23]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaene;25-phenyl-26-(4-phenylquinazolin-2-yl)-25,26-diazaheptacyclo[20.2.1.110,13.05,24.06,11.012,17.018,23]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaene?

The InChIKey is HZUIJEMHEIVDMD-RAUWRECZSA-N. The full InChI is InChI=1S/C51H31N5.C50H28N4O.C44H26N4/c1-4-14-32(15-5-1)49-52-50(33-16-6-2-7-17-33)54-51(53-49)34-28-30-36(31-29-34)56-43-26-12-22-39-37-20-10-24-41-45(37)46-38(40-23-13-27-44(56)48(40)47(39)43)21-11-25-42(46)55(41)35-18-8-3-9-19-35;1-2-13-29(14-3-1)53-38-23-8-16-30-32-18-10-25-40-47(32)48-33(31-17-9-24-39(53)46(31)45(30)38)19-11-26-41(48)54(40)50-49(51-36-21-5-6-22-37(36)52-50)35-20-12-28-43-44(35)34-15-4-7-27-42(34)55-43;1-3-13-27(14-4-1)43-33-17-7-8-22-34(33)45-44(46-43)48-37-25-11-20-31-29-18-9-23-35-39(29)40-30(32-21-12-26-38(48)42(32)41(31)37)19-10-24-36(40)47(35)28-15-5-2-6-16-28/h1-31H;1-28H;1-26H/b39-37-,40-38-;32-30-,33-31-;31-29-,32-30-.

What are the key properties of 25-(3-dibenzofuran-1-ylquinoxalin-2-yl)-26-phenyl-25,26-diazaheptacyclo[20.2.1.110,13.05,24.06,11.012,17.018,23]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaene;25-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-26-phenyl-25,26-diazaheptacyclo[20.2.1.110,13.05,24.06,11.012,17.018,23]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaene;25-phenyl-26-(4-phenylquinazolin-2-yl)-25,26-diazaheptacyclo[20.2.1.110,13.05,24.06,11.012,17.018,23]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaene?

25-(3-dibenzofuran-1-ylquinoxalin-2-yl)-26-phenyl-25,26-diazaheptacyclo[20.2.1.110,13.05,24.06,11.012,17.018,23]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaene;25-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-26-phenyl-25,26-diazaheptacyclo[20.2.1.110,13.05,24.06,11.012,17.018,23]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaene;25-phenyl-26-(4-phenylquinazolin-2-yl)-25,26-diazaheptacyclo[20.2.1.110,13.05,24.06,11.012,17.018,23]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaene has a molecular weight of 2025.37 g/mol, XLogP of 37.18, 11 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 25-(3-dibenzofuran-1-ylquinoxalin-2-yl)-26-phenyl-25,26-diazaheptacyclo[20.2.1.110,13.05,24.06,11.012,17.018,23]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaene;25-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-26-phenyl-25,26-diazaheptacyclo[20.2.1.110,13.05,24.06,11.012,17.018,23]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaene;25-phenyl-26-(4-phenylquinazolin-2-yl)-25,26-diazaheptacyclo[20.2.1.110,13.05,24.06,11.012,17.018,23]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaene is sourced from PubChem (CID 163635567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).