9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-21-phenyl-24-oxa-9-azahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene;9-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-21-phenyl-24-oxa-9-azahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene

C110H64N8O4 — CID 158234819

About 9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-21-phenyl-24-oxa-9-azahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene;9-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-21-phenyl-24-oxa-9-azahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene

9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-21-phenyl-24-oxa-9-azahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene;9-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-21-phenyl-24-oxa-9-azahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene (PubChem CID 158234819) has the molecular formula C110H64N8O4 and a molecular weight of 1561.77 g/mol. Its IUPAC name is 9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-21-phenyl-24-oxa-9-azahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene;9-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-21-phenyl-24-oxa-9-azahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene.

Molecular Properties

• Compound Name: 9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-21-phenyl-24-oxa-9-azahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene;9-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-21-phenyl-24-oxa-9-azahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene
• PubChem CID: 158234819
• Molecular Formula: C110H64N8O4
• Molecular Weight: 1561.77 g/mol
• Exact Mass: 1560.51
• IUPAC Name: 9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-21-phenyl-24-oxa-9-azahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene;9-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-21-phenyl-24-oxa-9-azahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene
• SMILES: c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)oc3ccc(-n5c6ccccc6c6c7oc8cc(-c9ccccc9)c9ccccc9c8c7ccc65)cc34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4oc5cc(-n6c7ccccc7c7c8oc9cc(-c%10ccccc%10)c%10ccccc%10c9c8ccc76)ccc5c4c3)n2)cc1
• InChI: InChI=1S/2C55H32N4O2/c1-4-14-33(15-5-1)43-32-49-50(40-21-11-10-20-38(40)43)42-27-28-46-51(52(42)61-49)41-22-12-13-23-45(41)59(46)37-25-26-39-44-30-36(24-29-47(44)60-48(39)31-37)55-57-53(34-16-6-2-7-17-34)56-54(58-55)35-18-8-3-9-19-35;1-4-14-33(15-5-1)43-32-49-50(40-21-11-10-20-38(40)43)42-27-28-46-51(52(42)61-49)41-22-12-13-23-45(41)59(46)37-25-29-47-44(31-37)39-26-24-36(30-48(39)60-47)55-57-53(34-16-6-2-7-17-34)56-54(58-55)35-18-8-3-9-19-35/h2*1-32H
• InChIKey: GEVHEMIWQSBGQP-UHFFFAOYSA-N
• XLogP: 29.18
• TPSA: 139.76 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 10
• Heavy Atoms: 122
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1561.77
LogP ≤ 5	29.18
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-21-phenyl-24-oxa-9-azahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene;9-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-21-phenyl-24-oxa-9-azahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene?

The IUPAC name of 9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-21-phenyl-24-oxa-9-azahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene;9-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-21-phenyl-24-oxa-9-azahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene (CID 158234819) is 9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-21-phenyl-24-oxa-9-azahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene;9-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-21-phenyl-24-oxa-9-azahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene.

What is the SMILES notation for 9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-21-phenyl-24-oxa-9-azahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene;9-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-21-phenyl-24-oxa-9-azahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene?

The canonical SMILES for 9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-21-phenyl-24-oxa-9-azahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene;9-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-21-phenyl-24-oxa-9-azahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)oc3ccc(-n5c6ccccc6c6c7oc8cc(-c9ccccc9)c9ccccc9c8c7ccc65)cc34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4oc5cc(-n6c7ccccc7c7c8oc9cc(-c%10ccccc%10)c%10ccccc%10c9c8ccc76)ccc5c4c3)n2)cc1.

What is the InChIKey of 9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-21-phenyl-24-oxa-9-azahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene;9-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-21-phenyl-24-oxa-9-azahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene?

The InChIKey is GEVHEMIWQSBGQP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C55H32N4O2/c1-4-14-33(15-5-1)43-32-49-50(40-21-11-10-20-38(40)43)42-27-28-46-51(52(42)61-49)41-22-12-13-23-45(41)59(46)37-25-26-39-44-30-36(24-29-47(44)60-48(39)31-37)55-57-53(34-16-6-2-7-17-34)56-54(58-55)35-18-8-3-9-19-35;1-4-14-33(15-5-1)43-32-49-50(40-21-11-10-20-38(40)43)42-27-28-46-51(52(42)61-49)41-22-12-13-23-45(41)59(46)37-25-29-47-44(31-37)39-26-24-36(30-48(39)60-47)55-57-53(34-16-6-2-7-17-34)56-54(58-55)35-18-8-3-9-19-35/h2*1-32H.

What are the key properties of 9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-21-phenyl-24-oxa-9-azahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene;9-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-21-phenyl-24-oxa-9-azahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene?

9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-21-phenyl-24-oxa-9-azahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene;9-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-21-phenyl-24-oxa-9-azahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene has a molecular weight of 1561.77 g/mol, XLogP of 29.18, 10 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-21-phenyl-24-oxa-9-azahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene;9-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-21-phenyl-24-oxa-9-azahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene is sourced from PubChem (CID 158234819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).