25-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-25-azahexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene;25-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-25-azahexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15,17,19,21,23-dodecaene;25-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-25-azahexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene

C135H78N12O3 — CID 159738284

About 25-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-25-azahexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene;25-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-25-azahexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15,17,19,21,23-dodecaene;25-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-25-azahexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene

25-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-25-azahexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene;25-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-25-azahexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15,17,19,21,23-dodecaene;25-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-25-azahexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene (PubChem CID 159738284) has the molecular formula C135H78N12O3 and a molecular weight of 1916.19 g/mol. Its IUPAC name is 25-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-25-azahexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene;25-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-25-azahexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15,17,19,21,23-dodecaene;25-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-25-azahexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene.

Molecular Properties

• Compound Name: 25-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-25-azahexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene;25-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-25-azahexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15,17,19,21,23-dodecaene;25-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-25-azahexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene
• PubChem CID: 159738284
• Molecular Formula: C135H78N12O3
• Molecular Weight: 1916.19 g/mol
• Exact Mass: 1914.63
• IUPAC Name: 25-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-25-azahexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene;25-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-25-azahexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15,17,19,21,23-dodecaene;25-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-25-azahexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene
• SMILES: c1ccc(-c2nc(-c3ccc4oc5ccccc5c4c3)nc(-n3c4c5ccccc5ccc4c4c5ccccc5c5ccccc5c43)n2)cc1.c1ccc(-c2nc(-c3ccc4oc5ccccc5c4c3)nc(-n3c4cc5ccccc5cc4c4c5ccccc5c5ccccc5c43)n2)cc1.c1ccc(-c2nc(-c3ccc4oc5ccccc5c4c3)nc(-n3c4ccc5ccccc5c4c4c5ccccc5c5ccccc5c43)n2)cc1
• InChI: InChI=1S/3C45H26N4O/c1-2-13-28(14-3-1)43-46-44(29-23-25-39-36(26-29)33-18-10-11-21-38(33)50-39)48-45(47-43)49-37-24-22-27-12-4-5-15-30(27)40(37)41-34-19-8-6-16-31(34)32-17-7-9-20-35(32)42(41)49;1-2-13-28(14-3-1)43-46-44(29-23-25-39-37(26-29)33-18-10-11-21-38(33)50-39)48-45(47-43)49-41-30-15-5-4-12-27(30)22-24-36(41)40-34-19-8-6-16-31(34)32-17-7-9-20-35(32)42(40)49;1-2-12-27(13-3-1)43-46-44(30-22-23-40-36(25-30)33-18-10-11-21-39(33)50-40)48-45(47-43)49-38-26-29-15-5-4-14-28(29)24-37(38)41-34-19-8-6-16-31(34)32-17-7-9-20-35(32)42(41)49/h3*1-26H
• InChIKey: NCCQXKCXIFBGEF-UHFFFAOYSA-N
• XLogP: 34.99
• TPSA: 170.22 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 9
• Heavy Atoms: 150
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1916.19
LogP ≤ 5	34.99
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 25-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-25-azahexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene;25-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-25-azahexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15,17,19,21,23-dodecaene;25-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-25-azahexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene?

The IUPAC name of 25-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-25-azahexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene;25-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-25-azahexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15,17,19,21,23-dodecaene;25-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-25-azahexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene (CID 159738284) is 25-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-25-azahexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene;25-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-25-azahexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15,17,19,21,23-dodecaene;25-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-25-azahexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene.

What is the SMILES notation for 25-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-25-azahexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene;25-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-25-azahexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15,17,19,21,23-dodecaene;25-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-25-azahexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene?

The canonical SMILES for 25-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-25-azahexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene;25-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-25-azahexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15,17,19,21,23-dodecaene;25-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-25-azahexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene is c1ccc(-c2nc(-c3ccc4oc5ccccc5c4c3)nc(-n3c4c5ccccc5ccc4c4c5ccccc5c5ccccc5c43)n2)cc1.c1ccc(-c2nc(-c3ccc4oc5ccccc5c4c3)nc(-n3c4cc5ccccc5cc4c4c5ccccc5c5ccccc5c43)n2)cc1.c1ccc(-c2nc(-c3ccc4oc5ccccc5c4c3)nc(-n3c4ccc5ccccc5c4c4c5ccccc5c5ccccc5c43)n2)cc1.

What is the InChIKey of 25-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-25-azahexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene;25-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-25-azahexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15,17,19,21,23-dodecaene;25-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-25-azahexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene?

The InChIKey is NCCQXKCXIFBGEF-UHFFFAOYSA-N. The full InChI is InChI=1S/3C45H26N4O/c1-2-13-28(14-3-1)43-46-44(29-23-25-39-36(26-29)33-18-10-11-21-38(33)50-39)48-45(47-43)49-37-24-22-27-12-4-5-15-30(27)40(37)41-34-19-8-6-16-31(34)32-17-7-9-20-35(32)42(41)49;1-2-13-28(14-3-1)43-46-44(29-23-25-39-37(26-29)33-18-10-11-21-38(33)50-39)48-45(47-43)49-41-30-15-5-4-12-27(30)22-24-36(41)40-34-19-8-6-16-31(34)32-17-7-9-20-35(32)42(40)49;1-2-12-27(13-3-1)43-46-44(30-22-23-40-36(25-30)33-18-10-11-21-39(33)50-40)48-45(47-43)49-38-26-29-15-5-4-14-28(29)24-37(38)41-34-19-8-6-16-31(34)32-17-7-9-20-35(32)42(41)49/h3*1-26H.

What are the key properties of 25-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-25-azahexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene;25-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-25-azahexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15,17,19,21,23-dodecaene;25-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-25-azahexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene?

25-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-25-azahexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene;25-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-25-azahexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15,17,19,21,23-dodecaene;25-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-25-azahexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene has a molecular weight of 1916.19 g/mol, XLogP of 34.99, 9 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 25-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-25-azahexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene;25-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-25-azahexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15,17,19,21,23-dodecaene;25-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-25-azahexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene is sourced from PubChem (CID 159738284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).