9-(3-dibenzofuran-4-ylquinoxalin-2-yl)-15-oxa-9-azahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene;9-phenyl-15-[3-(4-phenylphenyl)quinoxalin-2-yl]-9,15-diazahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene;9-phenyl-15-[4-(4-phenylquinazolin-2-yl)phenyl]-9,15-diazahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene

C138H83N11O2 — CID 160888626

About 9-(3-dibenzofuran-4-ylquinoxalin-2-yl)-15-oxa-9-azahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene;9-phenyl-15-[3-(4-phenylphenyl)quinoxalin-2-yl]-9,15-diazahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene;9-phenyl-15-[4-(4-phenylquinazolin-2-yl)phenyl]-9,15-diazahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene

9-(3-dibenzofuran-4-ylquinoxalin-2-yl)-15-oxa-9-azahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene;9-phenyl-15-[3-(4-phenylphenyl)quinoxalin-2-yl]-9,15-diazahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene;9-phenyl-15-[4-(4-phenylquinazolin-2-yl)phenyl]-9,15-diazahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene (PubChem CID 160888626) has the molecular formula C138H83N11O2 and a molecular weight of 1927.26 g/mol. Its IUPAC name is 9-(3-dibenzofuran-4-ylquinoxalin-2-yl)-15-oxa-9-azahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene;9-phenyl-15-[3-(4-phenylphenyl)quinoxalin-2-yl]-9,15-diazahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene;9-phenyl-15-[4-(4-phenylquinazolin-2-yl)phenyl]-9,15-diazahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene.

Molecular Properties

• Compound Name: 9-(3-dibenzofuran-4-ylquinoxalin-2-yl)-15-oxa-9-azahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene;9-phenyl-15-[3-(4-phenylphenyl)quinoxalin-2-yl]-9,15-diazahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene;9-phenyl-15-[4-(4-phenylquinazolin-2-yl)phenyl]-9,15-diazahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene
• PubChem CID: 160888626
• Molecular Formula: C138H83N11O2
• Molecular Weight: 1927.26 g/mol
• Exact Mass: 1925.67
• IUPAC Name: 9-(3-dibenzofuran-4-ylquinoxalin-2-yl)-15-oxa-9-azahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene;9-phenyl-15-[3-(4-phenylphenyl)quinoxalin-2-yl]-9,15-diazahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene;9-phenyl-15-[4-(4-phenylquinazolin-2-yl)phenyl]-9,15-diazahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene
• SMILES: c1ccc(-c2ccc(-c3nc4ccccc4nc3-n3c4ccccc4c4ccc5c(ccc6c5c5ccccc5n6-c5ccccc5)c43)cc2)cc1.c1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5ccc6c(ccc7c6c6ccccc6n7-c6ccccc6)c54)cc3)nc3ccccc23)cc1.c1ccc2nc(-n3c4ccccc4c4c5ccc6c7ccccc7oc6c5ccc43)c(-c3cccc4c3oc3ccccc34)nc2c1
• InChI: InChI=1S/2C48H30N4.C42H23N3O2/c1-3-13-31(14-4-1)32-23-25-33(26-24-32)46-48(50-41-20-10-9-19-40(41)49-46)52-42-21-11-7-17-35(42)37-28-27-36-38(47(37)52)29-30-44-45(36)39-18-8-12-22-43(39)51(44)34-15-5-2-6-16-34;1-3-13-31(14-4-1)46-39-18-7-10-20-41(39)49-48(50-46)32-23-25-34(26-24-32)52-42-21-11-8-17-35(42)37-28-27-36-38(47(37)52)29-30-44-45(36)40-19-9-12-22-43(40)51(44)33-15-5-2-6-16-33;1-6-17-34-30(12-1)38-26-20-21-28-25-11-3-8-19-37(25)46-40(28)29(26)22-23-35(38)45(34)42-39(43-32-15-4-5-16-33(32)44-42)31-14-9-13-27-24-10-2-7-18-36(24)47-41(27)31/h2*1-30H;1-23H
• InChIKey: SNYUGAWZSYAQTB-UHFFFAOYSA-N
• XLogP: 35.97
• TPSA: 128.27 Ų
• H-Bond Acceptors: 13
• Rotatable Bonds: 10
• Heavy Atoms: 151
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1927.26
LogP ≤ 5	35.97
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of 9-(3-dibenzofuran-4-ylquinoxalin-2-yl)-15-oxa-9-azahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene;9-phenyl-15-[3-(4-phenylphenyl)quinoxalin-2-yl]-9,15-diazahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene;9-phenyl-15-[4-(4-phenylquinazolin-2-yl)phenyl]-9,15-diazahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene?

The IUPAC name of 9-(3-dibenzofuran-4-ylquinoxalin-2-yl)-15-oxa-9-azahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene;9-phenyl-15-[3-(4-phenylphenyl)quinoxalin-2-yl]-9,15-diazahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene;9-phenyl-15-[4-(4-phenylquinazolin-2-yl)phenyl]-9,15-diazahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene (CID 160888626) is 9-(3-dibenzofuran-4-ylquinoxalin-2-yl)-15-oxa-9-azahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene;9-phenyl-15-[3-(4-phenylphenyl)quinoxalin-2-yl]-9,15-diazahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene;9-phenyl-15-[4-(4-phenylquinazolin-2-yl)phenyl]-9,15-diazahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene.

What is the SMILES notation for 9-(3-dibenzofuran-4-ylquinoxalin-2-yl)-15-oxa-9-azahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene;9-phenyl-15-[3-(4-phenylphenyl)quinoxalin-2-yl]-9,15-diazahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene;9-phenyl-15-[4-(4-phenylquinazolin-2-yl)phenyl]-9,15-diazahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene?

The canonical SMILES for 9-(3-dibenzofuran-4-ylquinoxalin-2-yl)-15-oxa-9-azahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene;9-phenyl-15-[3-(4-phenylphenyl)quinoxalin-2-yl]-9,15-diazahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene;9-phenyl-15-[4-(4-phenylquinazolin-2-yl)phenyl]-9,15-diazahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene is c1ccc(-c2ccc(-c3nc4ccccc4nc3-n3c4ccccc4c4ccc5c(ccc6c5c5ccccc5n6-c5ccccc5)c43)cc2)cc1.c1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5ccc6c(ccc7c6c6ccccc6n7-c6ccccc6)c54)cc3)nc3ccccc23)cc1.c1ccc2nc(-n3c4ccccc4c4c5ccc6c7ccccc7oc6c5ccc43)c(-c3cccc4c3oc3ccccc34)nc2c1.

What is the InChIKey of 9-(3-dibenzofuran-4-ylquinoxalin-2-yl)-15-oxa-9-azahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene;9-phenyl-15-[3-(4-phenylphenyl)quinoxalin-2-yl]-9,15-diazahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene;9-phenyl-15-[4-(4-phenylquinazolin-2-yl)phenyl]-9,15-diazahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene?

The InChIKey is SNYUGAWZSYAQTB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C48H30N4.C42H23N3O2/c1-3-13-31(14-4-1)32-23-25-33(26-24-32)46-48(50-41-20-10-9-19-40(41)49-46)52-42-21-11-7-17-35(42)37-28-27-36-38(47(37)52)29-30-44-45(36)39-18-8-12-22-43(39)51(44)34-15-5-2-6-16-34;1-3-13-31(14-4-1)46-39-18-7-10-20-41(39)49-48(50-46)32-23-25-34(26-24-32)52-42-21-11-8-17-35(42)37-28-27-36-38(47(37)52)29-30-44-45(36)40-19-9-12-22-43(40)51(44)33-15-5-2-6-16-33;1-6-17-34-30(12-1)38-26-20-21-28-25-11-3-8-19-37(25)46-40(28)29(26)22-23-35(38)45(34)42-39(43-32-15-4-5-16-33(32)44-42)31-14-9-13-27-24-10-2-7-18-36(24)47-41(27)31/h2*1-30H;1-23H.

What are the key properties of 9-(3-dibenzofuran-4-ylquinoxalin-2-yl)-15-oxa-9-azahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene;9-phenyl-15-[3-(4-phenylphenyl)quinoxalin-2-yl]-9,15-diazahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene;9-phenyl-15-[4-(4-phenylquinazolin-2-yl)phenyl]-9,15-diazahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene?

9-(3-dibenzofuran-4-ylquinoxalin-2-yl)-15-oxa-9-azahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene;9-phenyl-15-[3-(4-phenylphenyl)quinoxalin-2-yl]-9,15-diazahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene;9-phenyl-15-[4-(4-phenylquinazolin-2-yl)phenyl]-9,15-diazahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene has a molecular weight of 1927.26 g/mol, XLogP of 35.97, 10 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(3-dibenzofuran-4-ylquinoxalin-2-yl)-15-oxa-9-azahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene;9-phenyl-15-[3-(4-phenylphenyl)quinoxalin-2-yl]-9,15-diazahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene;9-phenyl-15-[4-(4-phenylquinazolin-2-yl)phenyl]-9,15-diazahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene is sourced from PubChem (CID 160888626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).