9,19-di(dibenzofuran-3-yl)-9,19-diazaoctacyclo[15.15.0.02,10.03,8.011,16.018,26.020,25.027,32]dotriaconta-1(17),2(10),3,5,7,11,13,15,18(26),20,22,24,27,29,31-pentadecaene;19-naphthalen-2-yl-9-(4-phenylquinazolin-2-yl)-9,19-diazaoctacyclo[15.15.0.02,10.03,8.011,16.018,26.020,25.027,32]dotriaconta-1(17),2(10),3,5,7,11,13,15,18(26),20,22,24,27,29,31-pentadecaene;19-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-9-phenyl-9,19-diazaoctacyclo[15.15.0.02,10.03,8.011,16.018,26.020,25.027,32]dotriaconta-1(17),2(10),3,5,7,11,13,15,18(26),20,22,24,27,29,31-pentadecaene

C163H95N11O2 — CID 162245138

About 9,19-di(dibenzofuran-3-yl)-9,19-diazaoctacyclo[15.15.0.02,10.03,8.011,16.018,26.020,25.027,32]dotriaconta-1(17),2(10),3,5,7,11,13,15,18(26),20,22,24,27,29,31-pentadecaene;19-naphthalen-2-yl-9-(4-phenylquinazolin-2-yl)-9,19-diazaoctacyclo[15.15.0.02,10.03,8.011,16.018,26.020,25.027,32]dotriaconta-1(17),2(10),3,5,7,11,13,15,18(26),20,22,24,27,29,31-pentadecaene;19-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-9-phenyl-9,19-diazaoctacyclo[15.15.0.02,10.03,8.011,16.018,26.020,25.027,32]dotriaconta-1(17),2(10),3,5,7,11,13,15,18(26),20,22,24,27,29,31-pentadecaene

9,19-di(dibenzofuran-3-yl)-9,19-diazaoctacyclo[15.15.0.02,10.03,8.011,16.018,26.020,25.027,32]dotriaconta-1(17),2(10),3,5,7,11,13,15,18(26),20,22,24,27,29,31-pentadecaene;19-naphthalen-2-yl-9-(4-phenylquinazolin-2-yl)-9,19-diazaoctacyclo[15.15.0.02,10.03,8.011,16.018,26.020,25.027,32]dotriaconta-1(17),2(10),3,5,7,11,13,15,18(26),20,22,24,27,29,31-pentadecaene;19-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-9-phenyl-9,19-diazaoctacyclo[15.15.0.02,10.03,8.011,16.018,26.020,25.027,32]dotriaconta-1(17),2(10),3,5,7,11,13,15,18(26),20,22,24,27,29,31-pentadecaene (PubChem CID 162245138) has the molecular formula C163H95N11O2 and a molecular weight of 2239.63 g/mol. Its IUPAC name is 9,19-di(dibenzofuran-3-yl)-9,19-diazaoctacyclo[15.15.0.02,10.03,8.011,16.018,26.020,25.027,32]dotriaconta-1(17),2(10),3,5,7,11,13,15,18(26),20,22,24,27,29,31-pentadecaene;19-naphthalen-2-yl-9-(4-phenylquinazolin-2-yl)-9,19-diazaoctacyclo[15.15.0.02,10.03,8.011,16.018,26.020,25.027,32]dotriaconta-1(17),2(10),3,5,7,11,13,15,18(26),20,22,24,27,29,31-pentadecaene;19-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-9-phenyl-9,19-diazaoctacyclo[15.15.0.02,10.03,8.011,16.018,26.020,25.027,32]dotriaconta-1(17),2(10),3,5,7,11,13,15,18(26),20,22,24,27,29,31-pentadecaene.

Molecular Properties

• Compound Name: 9,19-di(dibenzofuran-3-yl)-9,19-diazaoctacyclo[15.15.0.02,10.03,8.011,16.018,26.020,25.027,32]dotriaconta-1(17),2(10),3,5,7,11,13,15,18(26),20,22,24,27,29,31-pentadecaene;19-naphthalen-2-yl-9-(4-phenylquinazolin-2-yl)-9,19-diazaoctacyclo[15.15.0.02,10.03,8.011,16.018,26.020,25.027,32]dotriaconta-1(17),2(10),3,5,7,11,13,15,18(26),20,22,24,27,29,31-pentadecaene;19-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-9-phenyl-9,19-diazaoctacyclo[15.15.0.02,10.03,8.011,16.018,26.020,25.027,32]dotriaconta-1(17),2(10),3,5,7,11,13,15,18(26),20,22,24,27,29,31-pentadecaene
• PubChem CID: 162245138
• Molecular Formula: C163H95N11O2
• Molecular Weight: 2239.63 g/mol
• Exact Mass: 2237.77
• IUPAC Name: 9,19-di(dibenzofuran-3-yl)-9,19-diazaoctacyclo[15.15.0.02,10.03,8.011,16.018,26.020,25.027,32]dotriaconta-1(17),2(10),3,5,7,11,13,15,18(26),20,22,24,27,29,31-pentadecaene;19-naphthalen-2-yl-9-(4-phenylquinazolin-2-yl)-9,19-diazaoctacyclo[15.15.0.02,10.03,8.011,16.018,26.020,25.027,32]dotriaconta-1(17),2(10),3,5,7,11,13,15,18(26),20,22,24,27,29,31-pentadecaene;19-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-9-phenyl-9,19-diazaoctacyclo[15.15.0.02,10.03,8.011,16.018,26.020,25.027,32]dotriaconta-1(17),2(10),3,5,7,11,13,15,18(26),20,22,24,27,29,31-pentadecaene
• SMILES: c1ccc(-c2nc(-c3ccc4ccccc4c3)nc(-n3c4ccccc4c4c5ccccc5c5c6c7ccccc7n(-c7ccccc7)c6c6ccccc6c5c43)n2)cc1.c1ccc(-c2nc(-n3c4ccccc4c4c5c6ccccc6c6c7ccccc7n(-c7ccc8ccccc8c7)c6c5c5ccccc5c43)nc3ccccc23)cc1.c1ccc2c(c1)oc1cc(-n3c4ccccc4c4c5c6ccccc6c6c7ccccc7n(-c7ccc8c(c7)oc7ccccc78)c6c5c5ccccc5c43)ccc12
• InChI: InChI=1S/C55H33N5.C54H32N4.C54H30N2O2/c1-3-18-35(19-4-1)53-56-54(37-32-31-34-17-7-8-20-36(34)33-37)58-55(57-53)60-46-30-16-13-27-43(46)47-39-23-9-10-24-40(39)48-49(52(47)60)41-25-11-12-26-42(41)51-50(48)44-28-14-15-29-45(44)59(51)38-21-5-2-6-22-38;1-2-17-34(18-3-1)51-41-24-10-13-27-44(41)55-54(56-51)58-46-29-15-12-26-43(46)50-48-38-21-7-6-20-37(38)47-42-25-11-14-28-45(42)57(36-31-30-33-16-4-5-19-35(33)32-36)53(47)49(48)39-22-8-9-23-40(39)52(50)58;1-2-16-38-37(15-1)49-41-19-5-9-21-43(41)56(32-26-28-36-34-14-8-12-24-46(34)58-48(36)30-32)54(49)51-39-17-3-4-18-40(39)53-52(50(38)51)42-20-6-10-22-44(42)55(53)31-25-27-35-33-13-7-11-23-45(33)57-47(35)29-31/h1-33H;1-32H;1-30H
• InChIKey: ZXFRRNHJXWMQIC-UHFFFAOYSA-N
• XLogP: 43.26
• TPSA: 120.31 Ų
• H-Bond Acceptors: 13
• Rotatable Bonds: 9
• Heavy Atoms: 176
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2239.63
LogP ≤ 5	43.26
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 9,19-di(dibenzofuran-3-yl)-9,19-diazaoctacyclo[15.15.0.02,10.03,8.011,16.018,26.020,25.027,32]dotriaconta-1(17),2(10),3,5,7,11,13,15,18(26),20,22,24,27,29,31-pentadecaene;19-naphthalen-2-yl-9-(4-phenylquinazolin-2-yl)-9,19-diazaoctacyclo[15.15.0.02,10.03,8.011,16.018,26.020,25.027,32]dotriaconta-1(17),2(10),3,5,7,11,13,15,18(26),20,22,24,27,29,31-pentadecaene;19-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-9-phenyl-9,19-diazaoctacyclo[15.15.0.02,10.03,8.011,16.018,26.020,25.027,32]dotriaconta-1(17),2(10),3,5,7,11,13,15,18(26),20,22,24,27,29,31-pentadecaene?

The IUPAC name of 9,19-di(dibenzofuran-3-yl)-9,19-diazaoctacyclo[15.15.0.02,10.03,8.011,16.018,26.020,25.027,32]dotriaconta-1(17),2(10),3,5,7,11,13,15,18(26),20,22,24,27,29,31-pentadecaene;19-naphthalen-2-yl-9-(4-phenylquinazolin-2-yl)-9,19-diazaoctacyclo[15.15.0.02,10.03,8.011,16.018,26.020,25.027,32]dotriaconta-1(17),2(10),3,5,7,11,13,15,18(26),20,22,24,27,29,31-pentadecaene;19-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-9-phenyl-9,19-diazaoctacyclo[15.15.0.02,10.03,8.011,16.018,26.020,25.027,32]dotriaconta-1(17),2(10),3,5,7,11,13,15,18(26),20,22,24,27,29,31-pentadecaene (CID 162245138) is 9,19-di(dibenzofuran-3-yl)-9,19-diazaoctacyclo[15.15.0.02,10.03,8.011,16.018,26.020,25.027,32]dotriaconta-1(17),2(10),3,5,7,11,13,15,18(26),20,22,24,27,29,31-pentadecaene;19-naphthalen-2-yl-9-(4-phenylquinazolin-2-yl)-9,19-diazaoctacyclo[15.15.0.02,10.03,8.011,16.018,26.020,25.027,32]dotriaconta-1(17),2(10),3,5,7,11,13,15,18(26),20,22,24,27,29,31-pentadecaene;19-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-9-phenyl-9,19-diazaoctacyclo[15.15.0.02,10.03,8.011,16.018,26.020,25.027,32]dotriaconta-1(17),2(10),3,5,7,11,13,15,18(26),20,22,24,27,29,31-pentadecaene.

What is the SMILES notation for 9,19-di(dibenzofuran-3-yl)-9,19-diazaoctacyclo[15.15.0.02,10.03,8.011,16.018,26.020,25.027,32]dotriaconta-1(17),2(10),3,5,7,11,13,15,18(26),20,22,24,27,29,31-pentadecaene;19-naphthalen-2-yl-9-(4-phenylquinazolin-2-yl)-9,19-diazaoctacyclo[15.15.0.02,10.03,8.011,16.018,26.020,25.027,32]dotriaconta-1(17),2(10),3,5,7,11,13,15,18(26),20,22,24,27,29,31-pentadecaene;19-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-9-phenyl-9,19-diazaoctacyclo[15.15.0.02,10.03,8.011,16.018,26.020,25.027,32]dotriaconta-1(17),2(10),3,5,7,11,13,15,18(26),20,22,24,27,29,31-pentadecaene?

The canonical SMILES for 9,19-di(dibenzofuran-3-yl)-9,19-diazaoctacyclo[15.15.0.02,10.03,8.011,16.018,26.020,25.027,32]dotriaconta-1(17),2(10),3,5,7,11,13,15,18(26),20,22,24,27,29,31-pentadecaene;19-naphthalen-2-yl-9-(4-phenylquinazolin-2-yl)-9,19-diazaoctacyclo[15.15.0.02,10.03,8.011,16.018,26.020,25.027,32]dotriaconta-1(17),2(10),3,5,7,11,13,15,18(26),20,22,24,27,29,31-pentadecaene;19-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-9-phenyl-9,19-diazaoctacyclo[15.15.0.02,10.03,8.011,16.018,26.020,25.027,32]dotriaconta-1(17),2(10),3,5,7,11,13,15,18(26),20,22,24,27,29,31-pentadecaene is c1ccc(-c2nc(-c3ccc4ccccc4c3)nc(-n3c4ccccc4c4c5ccccc5c5c6c7ccccc7n(-c7ccccc7)c6c6ccccc6c5c43)n2)cc1.c1ccc(-c2nc(-n3c4ccccc4c4c5c6ccccc6c6c7ccccc7n(-c7ccc8ccccc8c7)c6c5c5ccccc5c43)nc3ccccc23)cc1.c1ccc2c(c1)oc1cc(-n3c4ccccc4c4c5c6ccccc6c6c7ccccc7n(-c7ccc8c(c7)oc7ccccc78)c6c5c5ccccc5c43)ccc12.

What is the InChIKey of 9,19-di(dibenzofuran-3-yl)-9,19-diazaoctacyclo[15.15.0.02,10.03,8.011,16.018,26.020,25.027,32]dotriaconta-1(17),2(10),3,5,7,11,13,15,18(26),20,22,24,27,29,31-pentadecaene;19-naphthalen-2-yl-9-(4-phenylquinazolin-2-yl)-9,19-diazaoctacyclo[15.15.0.02,10.03,8.011,16.018,26.020,25.027,32]dotriaconta-1(17),2(10),3,5,7,11,13,15,18(26),20,22,24,27,29,31-pentadecaene;19-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-9-phenyl-9,19-diazaoctacyclo[15.15.0.02,10.03,8.011,16.018,26.020,25.027,32]dotriaconta-1(17),2(10),3,5,7,11,13,15,18(26),20,22,24,27,29,31-pentadecaene?

The InChIKey is ZXFRRNHJXWMQIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H33N5.C54H32N4.C54H30N2O2/c1-3-18-35(19-4-1)53-56-54(37-32-31-34-17-7-8-20-36(34)33-37)58-55(57-53)60-46-30-16-13-27-43(46)47-39-23-9-10-24-40(39)48-49(52(47)60)41-25-11-12-26-42(41)51-50(48)44-28-14-15-29-45(44)59(51)38-21-5-2-6-22-38;1-2-17-34(18-3-1)51-41-24-10-13-27-44(41)55-54(56-51)58-46-29-15-12-26-43(46)50-48-38-21-7-6-20-37(38)47-42-25-11-14-28-45(42)57(36-31-30-33-16-4-5-19-35(33)32-36)53(47)49(48)39-22-8-9-23-40(39)52(50)58;1-2-16-38-37(15-1)49-41-19-5-9-21-43(41)56(32-26-28-36-34-14-8-12-24-46(34)58-48(36)30-32)54(49)51-39-17-3-4-18-40(39)53-52(50(38)51)42-20-6-10-22-44(42)55(53)31-25-27-35-33-13-7-11-23-45(33)57-47(35)29-31/h1-33H;1-32H;1-30H.

What are the key properties of 9,19-di(dibenzofuran-3-yl)-9,19-diazaoctacyclo[15.15.0.02,10.03,8.011,16.018,26.020,25.027,32]dotriaconta-1(17),2(10),3,5,7,11,13,15,18(26),20,22,24,27,29,31-pentadecaene;19-naphthalen-2-yl-9-(4-phenylquinazolin-2-yl)-9,19-diazaoctacyclo[15.15.0.02,10.03,8.011,16.018,26.020,25.027,32]dotriaconta-1(17),2(10),3,5,7,11,13,15,18(26),20,22,24,27,29,31-pentadecaene;19-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-9-phenyl-9,19-diazaoctacyclo[15.15.0.02,10.03,8.011,16.018,26.020,25.027,32]dotriaconta-1(17),2(10),3,5,7,11,13,15,18(26),20,22,24,27,29,31-pentadecaene?

9,19-di(dibenzofuran-3-yl)-9,19-diazaoctacyclo[15.15.0.02,10.03,8.011,16.018,26.020,25.027,32]dotriaconta-1(17),2(10),3,5,7,11,13,15,18(26),20,22,24,27,29,31-pentadecaene;19-naphthalen-2-yl-9-(4-phenylquinazolin-2-yl)-9,19-diazaoctacyclo[15.15.0.02,10.03,8.011,16.018,26.020,25.027,32]dotriaconta-1(17),2(10),3,5,7,11,13,15,18(26),20,22,24,27,29,31-pentadecaene;19-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-9-phenyl-9,19-diazaoctacyclo[15.15.0.02,10.03,8.011,16.018,26.020,25.027,32]dotriaconta-1(17),2(10),3,5,7,11,13,15,18(26),20,22,24,27,29,31-pentadecaene has a molecular weight of 2239.63 g/mol, XLogP of 43.26, 9 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 9,19-di(dibenzofuran-3-yl)-9,19-diazaoctacyclo[15.15.0.02,10.03,8.011,16.018,26.020,25.027,32]dotriaconta-1(17),2(10),3,5,7,11,13,15,18(26),20,22,24,27,29,31-pentadecaene;19-naphthalen-2-yl-9-(4-phenylquinazolin-2-yl)-9,19-diazaoctacyclo[15.15.0.02,10.03,8.011,16.018,26.020,25.027,32]dotriaconta-1(17),2(10),3,5,7,11,13,15,18(26),20,22,24,27,29,31-pentadecaene;19-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-9-phenyl-9,19-diazaoctacyclo[15.15.0.02,10.03,8.011,16.018,26.020,25.027,32]dotriaconta-1(17),2(10),3,5,7,11,13,15,18(26),20,22,24,27,29,31-pentadecaene is sourced from PubChem (CID 162245138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).