33-(3-phenylbenzo[h]quinoxalin-2-yl)-22-oxa-1,33-diazanonacyclo[16.13.1.16,9.02,7.08,13.014,32.019,31.021,29.023,28]tritriaconta-2,4,6,8(13),9,11,14(32),15,17,19(31),20,23,25,27,29-pentadecaene;33-(3-phenylbenzo[h]quinoxalin-2-yl)-23-oxa-1,33-diazanonacyclo[16.13.1.16,9.02,7.08,13.014,32.019,31.022,30.024,29]tritriaconta-2,4,6,8(13),9,11,14(32),15,17,19(31),20,22(30),24,26,28-pentadecaene;33-(3-phenylbenzo[h]quinoxalin-2-yl)-28-oxa-1,33-diazanonacyclo[16.13.1.16,9.02,7.08,13.014,32.019,31.021,29.022,27]tritriaconta-2,4,6,8(13),9,11,14(32),15,17,19(31),20,22,24,26,29-pentadecaene

C144H78N12O3 — CID 159718376

About 33-(3-phenylbenzo[h]quinoxalin-2-yl)-22-oxa-1,33-diazanonacyclo[16.13.1.16,9.02,7.08,13.014,32.019,31.021,29.023,28]tritriaconta-2,4,6,8(13),9,11,14(32),15,17,19(31),20,23,25,27,29-pentadecaene;33-(3-phenylbenzo[h]quinoxalin-2-yl)-23-oxa-1,33-diazanonacyclo[16.13.1.16,9.02,7.08,13.014,32.019,31.022,30.024,29]tritriaconta-2,4,6,8(13),9,11,14(32),15,17,19(31),20,22(30),24,26,28-pentadecaene;33-(3-phenylbenzo[h]quinoxalin-2-yl)-28-oxa-1,33-diazanonacyclo[16.13.1.16,9.02,7.08,13.014,32.019,31.021,29.022,27]tritriaconta-2,4,6,8(13),9,11,14(32),15,17,19(31),20,22,24,26,29-pentadecaene

33-(3-phenylbenzo[h]quinoxalin-2-yl)-22-oxa-1,33-diazanonacyclo[16.13.1.16,9.02,7.08,13.014,32.019,31.021,29.023,28]tritriaconta-2,4,6,8(13),9,11,14(32),15,17,19(31),20,23,25,27,29-pentadecaene;33-(3-phenylbenzo[h]quinoxalin-2-yl)-23-oxa-1,33-diazanonacyclo[16.13.1.16,9.02,7.08,13.014,32.019,31.022,30.024,29]tritriaconta-2,4,6,8(13),9,11,14(32),15,17,19(31),20,22(30),24,26,28-pentadecaene;33-(3-phenylbenzo[h]quinoxalin-2-yl)-28-oxa-1,33-diazanonacyclo[16.13.1.16,9.02,7.08,13.014,32.019,31.021,29.022,27]tritriaconta-2,4,6,8(13),9,11,14(32),15,17,19(31),20,22,24,26,29-pentadecaene (PubChem CID 159718376) has the molecular formula C144H78N12O3 and a molecular weight of 2024.29 g/mol. Its IUPAC name is 33-(3-phenylbenzo[h]quinoxalin-2-yl)-22-oxa-1,33-diazanonacyclo[16.13.1.16,9.02,7.08,13.014,32.019,31.021,29.023,28]tritriaconta-2,4,6,8(13),9,11,14(32),15,17,19(31),20,23,25,27,29-pentadecaene;33-(3-phenylbenzo[h]quinoxalin-2-yl)-23-oxa-1,33-diazanonacyclo[16.13.1.16,9.02,7.08,13.014,32.019,31.022,30.024,29]tritriaconta-2,4,6,8(13),9,11,14(32),15,17,19(31),20,22(30),24,26,28-pentadecaene;33-(3-phenylbenzo[h]quinoxalin-2-yl)-28-oxa-1,33-diazanonacyclo[16.13.1.16,9.02,7.08,13.014,32.019,31.021,29.022,27]tritriaconta-2,4,6,8(13),9,11,14(32),15,17,19(31),20,22,24,26,29-pentadecaene.

Molecular Properties

• Compound Name: 33-(3-phenylbenzo[h]quinoxalin-2-yl)-22-oxa-1,33-diazanonacyclo[16.13.1.16,9.02,7.08,13.014,32.019,31.021,29.023,28]tritriaconta-2,4,6,8(13),9,11,14(32),15,17,19(31),20,23,25,27,29-pentadecaene;33-(3-phenylbenzo[h]quinoxalin-2-yl)-23-oxa-1,33-diazanonacyclo[16.13.1.16,9.02,7.08,13.014,32.019,31.022,30.024,29]tritriaconta-2,4,6,8(13),9,11,14(32),15,17,19(31),20,22(30),24,26,28-pentadecaene;33-(3-phenylbenzo[h]quinoxalin-2-yl)-28-oxa-1,33-diazanonacyclo[16.13.1.16,9.02,7.08,13.014,32.019,31.021,29.022,27]tritriaconta-2,4,6,8(13),9,11,14(32),15,17,19(31),20,22,24,26,29-pentadecaene
• PubChem CID: 159718376
• Molecular Formula: C144H78N12O3
• Molecular Weight: 2024.29 g/mol
• Exact Mass: 2022.63
• IUPAC Name: 33-(3-phenylbenzo[h]quinoxalin-2-yl)-22-oxa-1,33-diazanonacyclo[16.13.1.16,9.02,7.08,13.014,32.019,31.021,29.023,28]tritriaconta-2,4,6,8(13),9,11,14(32),15,17,19(31),20,23,25,27,29-pentadecaene;33-(3-phenylbenzo[h]quinoxalin-2-yl)-23-oxa-1,33-diazanonacyclo[16.13.1.16,9.02,7.08,13.014,32.019,31.022,30.024,29]tritriaconta-2,4,6,8(13),9,11,14(32),15,17,19(31),20,22(30),24,26,28-pentadecaene;33-(3-phenylbenzo[h]quinoxalin-2-yl)-28-oxa-1,33-diazanonacyclo[16.13.1.16,9.02,7.08,13.014,32.019,31.021,29.022,27]tritriaconta-2,4,6,8(13),9,11,14(32),15,17,19(31),20,22,24,26,29-pentadecaene
• SMILES: c1ccc(-c2nc3ccc4ccccc4c3nc2-n2c3cccc4c5cccc6c7cc8c(cc7n(c7cccc2c7c43)c56)oc2ccccc28)cc1.c1ccc(-c2nc3ccc4ccccc4c3nc2-n2c3cccc4c5cccc6c7cc8oc9ccccc9c8cc7n(c7cccc2c7c43)c56)cc1.c1ccc(-c2nc3ccc4ccccc4c3nc2-n2c3cccc4c5cccc6c7ccc8oc9ccccc9c8c7n(c7cccc2c7c43)c56)cc1
• InChI: InChI=1S/3C48H26N4O/c1-2-12-28(13-3-1)44-48(50-45-29-14-5-4-11-27(29)23-25-35(45)49-44)51-36-19-9-16-30-31-17-8-18-32-33-24-26-40-42(34-15-6-7-22-39(34)53-40)47(33)52(46(31)32)38-21-10-20-37(51)43(38)41(30)36;1-2-12-28(13-3-1)45-48(50-46-29-14-5-4-11-27(29)23-24-36(46)49-45)52-37-19-9-16-31-32-17-8-18-33-34-26-42-35(30-15-6-7-22-41(30)53-42)25-40(34)51(47(32)33)38-20-10-21-39(52)44(38)43(31)37;1-2-12-28(13-3-1)45-48(50-46-29-14-5-4-11-27(29)23-24-36(46)49-45)52-37-19-9-16-31-32-17-8-18-33-34-25-35-30-15-6-7-22-41(30)53-42(35)26-40(34)51(47(32)33)38-20-10-21-39(52)44(38)43(31)37/h3*1-26H
• InChIKey: MZSIHCHLYIOQJA-UHFFFAOYSA-N
• XLogP: 37.79
• TPSA: 144.78 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 6
• Heavy Atoms: 159
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2024.29
LogP ≤ 5	37.79
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 33-(3-phenylbenzo[h]quinoxalin-2-yl)-22-oxa-1,33-diazanonacyclo[16.13.1.16,9.02,7.08,13.014,32.019,31.021,29.023,28]tritriaconta-2,4,6,8(13),9,11,14(32),15,17,19(31),20,23,25,27,29-pentadecaene;33-(3-phenylbenzo[h]quinoxalin-2-yl)-23-oxa-1,33-diazanonacyclo[16.13.1.16,9.02,7.08,13.014,32.019,31.022,30.024,29]tritriaconta-2,4,6,8(13),9,11,14(32),15,17,19(31),20,22(30),24,26,28-pentadecaene;33-(3-phenylbenzo[h]quinoxalin-2-yl)-28-oxa-1,33-diazanonacyclo[16.13.1.16,9.02,7.08,13.014,32.019,31.021,29.022,27]tritriaconta-2,4,6,8(13),9,11,14(32),15,17,19(31),20,22,24,26,29-pentadecaene?

The IUPAC name of 33-(3-phenylbenzo[h]quinoxalin-2-yl)-22-oxa-1,33-diazanonacyclo[16.13.1.16,9.02,7.08,13.014,32.019,31.021,29.023,28]tritriaconta-2,4,6,8(13),9,11,14(32),15,17,19(31),20,23,25,27,29-pentadecaene;33-(3-phenylbenzo[h]quinoxalin-2-yl)-23-oxa-1,33-diazanonacyclo[16.13.1.16,9.02,7.08,13.014,32.019,31.022,30.024,29]tritriaconta-2,4,6,8(13),9,11,14(32),15,17,19(31),20,22(30),24,26,28-pentadecaene;33-(3-phenylbenzo[h]quinoxalin-2-yl)-28-oxa-1,33-diazanonacyclo[16.13.1.16,9.02,7.08,13.014,32.019,31.021,29.022,27]tritriaconta-2,4,6,8(13),9,11,14(32),15,17,19(31),20,22,24,26,29-pentadecaene (CID 159718376) is 33-(3-phenylbenzo[h]quinoxalin-2-yl)-22-oxa-1,33-diazanonacyclo[16.13.1.16,9.02,7.08,13.014,32.019,31.021,29.023,28]tritriaconta-2,4,6,8(13),9,11,14(32),15,17,19(31),20,23,25,27,29-pentadecaene;33-(3-phenylbenzo[h]quinoxalin-2-yl)-23-oxa-1,33-diazanonacyclo[16.13.1.16,9.02,7.08,13.014,32.019,31.022,30.024,29]tritriaconta-2,4,6,8(13),9,11,14(32),15,17,19(31),20,22(30),24,26,28-pentadecaene;33-(3-phenylbenzo[h]quinoxalin-2-yl)-28-oxa-1,33-diazanonacyclo[16.13.1.16,9.02,7.08,13.014,32.019,31.021,29.022,27]tritriaconta-2,4,6,8(13),9,11,14(32),15,17,19(31),20,22,24,26,29-pentadecaene.

What is the SMILES notation for 33-(3-phenylbenzo[h]quinoxalin-2-yl)-22-oxa-1,33-diazanonacyclo[16.13.1.16,9.02,7.08,13.014,32.019,31.021,29.023,28]tritriaconta-2,4,6,8(13),9,11,14(32),15,17,19(31),20,23,25,27,29-pentadecaene;33-(3-phenylbenzo[h]quinoxalin-2-yl)-23-oxa-1,33-diazanonacyclo[16.13.1.16,9.02,7.08,13.014,32.019,31.022,30.024,29]tritriaconta-2,4,6,8(13),9,11,14(32),15,17,19(31),20,22(30),24,26,28-pentadecaene;33-(3-phenylbenzo[h]quinoxalin-2-yl)-28-oxa-1,33-diazanonacyclo[16.13.1.16,9.02,7.08,13.014,32.019,31.021,29.022,27]tritriaconta-2,4,6,8(13),9,11,14(32),15,17,19(31),20,22,24,26,29-pentadecaene?

The canonical SMILES for 33-(3-phenylbenzo[h]quinoxalin-2-yl)-22-oxa-1,33-diazanonacyclo[16.13.1.16,9.02,7.08,13.014,32.019,31.021,29.023,28]tritriaconta-2,4,6,8(13),9,11,14(32),15,17,19(31),20,23,25,27,29-pentadecaene;33-(3-phenylbenzo[h]quinoxalin-2-yl)-23-oxa-1,33-diazanonacyclo[16.13.1.16,9.02,7.08,13.014,32.019,31.022,30.024,29]tritriaconta-2,4,6,8(13),9,11,14(32),15,17,19(31),20,22(30),24,26,28-pentadecaene;33-(3-phenylbenzo[h]quinoxalin-2-yl)-28-oxa-1,33-diazanonacyclo[16.13.1.16,9.02,7.08,13.014,32.019,31.021,29.022,27]tritriaconta-2,4,6,8(13),9,11,14(32),15,17,19(31),20,22,24,26,29-pentadecaene is c1ccc(-c2nc3ccc4ccccc4c3nc2-n2c3cccc4c5cccc6c7cc8c(cc7n(c7cccc2c7c43)c56)oc2ccccc28)cc1.c1ccc(-c2nc3ccc4ccccc4c3nc2-n2c3cccc4c5cccc6c7cc8oc9ccccc9c8cc7n(c7cccc2c7c43)c56)cc1.c1ccc(-c2nc3ccc4ccccc4c3nc2-n2c3cccc4c5cccc6c7ccc8oc9ccccc9c8c7n(c7cccc2c7c43)c56)cc1.

What is the InChIKey of 33-(3-phenylbenzo[h]quinoxalin-2-yl)-22-oxa-1,33-diazanonacyclo[16.13.1.16,9.02,7.08,13.014,32.019,31.021,29.023,28]tritriaconta-2,4,6,8(13),9,11,14(32),15,17,19(31),20,23,25,27,29-pentadecaene;33-(3-phenylbenzo[h]quinoxalin-2-yl)-23-oxa-1,33-diazanonacyclo[16.13.1.16,9.02,7.08,13.014,32.019,31.022,30.024,29]tritriaconta-2,4,6,8(13),9,11,14(32),15,17,19(31),20,22(30),24,26,28-pentadecaene;33-(3-phenylbenzo[h]quinoxalin-2-yl)-28-oxa-1,33-diazanonacyclo[16.13.1.16,9.02,7.08,13.014,32.019,31.021,29.022,27]tritriaconta-2,4,6,8(13),9,11,14(32),15,17,19(31),20,22,24,26,29-pentadecaene?

The InChIKey is MZSIHCHLYIOQJA-UHFFFAOYSA-N. The full InChI is InChI=1S/3C48H26N4O/c1-2-12-28(13-3-1)44-48(50-45-29-14-5-4-11-27(29)23-25-35(45)49-44)51-36-19-9-16-30-31-17-8-18-32-33-24-26-40-42(34-15-6-7-22-39(34)53-40)47(33)52(46(31)32)38-21-10-20-37(51)43(38)41(30)36;1-2-12-28(13-3-1)45-48(50-46-29-14-5-4-11-27(29)23-24-36(46)49-45)52-37-19-9-16-31-32-17-8-18-33-34-26-42-35(30-15-6-7-22-41(30)53-42)25-40(34)51(47(32)33)38-20-10-21-39(52)44(38)43(31)37;1-2-12-28(13-3-1)45-48(50-46-29-14-5-4-11-27(29)23-24-36(46)49-45)52-37-19-9-16-31-32-17-8-18-33-34-25-35-30-15-6-7-22-41(30)53-42(35)26-40(34)51(47(32)33)38-20-10-21-39(52)44(38)43(31)37/h3*1-26H.

What are the key properties of 33-(3-phenylbenzo[h]quinoxalin-2-yl)-22-oxa-1,33-diazanonacyclo[16.13.1.16,9.02,7.08,13.014,32.019,31.021,29.023,28]tritriaconta-2,4,6,8(13),9,11,14(32),15,17,19(31),20,23,25,27,29-pentadecaene;33-(3-phenylbenzo[h]quinoxalin-2-yl)-23-oxa-1,33-diazanonacyclo[16.13.1.16,9.02,7.08,13.014,32.019,31.022,30.024,29]tritriaconta-2,4,6,8(13),9,11,14(32),15,17,19(31),20,22(30),24,26,28-pentadecaene;33-(3-phenylbenzo[h]quinoxalin-2-yl)-28-oxa-1,33-diazanonacyclo[16.13.1.16,9.02,7.08,13.014,32.019,31.021,29.022,27]tritriaconta-2,4,6,8(13),9,11,14(32),15,17,19(31),20,22,24,26,29-pentadecaene?

33-(3-phenylbenzo[h]quinoxalin-2-yl)-22-oxa-1,33-diazanonacyclo[16.13.1.16,9.02,7.08,13.014,32.019,31.021,29.023,28]tritriaconta-2,4,6,8(13),9,11,14(32),15,17,19(31),20,23,25,27,29-pentadecaene;33-(3-phenylbenzo[h]quinoxalin-2-yl)-23-oxa-1,33-diazanonacyclo[16.13.1.16,9.02,7.08,13.014,32.019,31.022,30.024,29]tritriaconta-2,4,6,8(13),9,11,14(32),15,17,19(31),20,22(30),24,26,28-pentadecaene;33-(3-phenylbenzo[h]quinoxalin-2-yl)-28-oxa-1,33-diazanonacyclo[16.13.1.16,9.02,7.08,13.014,32.019,31.021,29.022,27]tritriaconta-2,4,6,8(13),9,11,14(32),15,17,19(31),20,22,24,26,29-pentadecaene has a molecular weight of 2024.29 g/mol, XLogP of 37.79, 6 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 33-(3-phenylbenzo[h]quinoxalin-2-yl)-22-oxa-1,33-diazanonacyclo[16.13.1.16,9.02,7.08,13.014,32.019,31.021,29.023,28]tritriaconta-2,4,6,8(13),9,11,14(32),15,17,19(31),20,23,25,27,29-pentadecaene;33-(3-phenylbenzo[h]quinoxalin-2-yl)-23-oxa-1,33-diazanonacyclo[16.13.1.16,9.02,7.08,13.014,32.019,31.022,30.024,29]tritriaconta-2,4,6,8(13),9,11,14(32),15,17,19(31),20,22(30),24,26,28-pentadecaene;33-(3-phenylbenzo[h]quinoxalin-2-yl)-28-oxa-1,33-diazanonacyclo[16.13.1.16,9.02,7.08,13.014,32.019,31.021,29.022,27]tritriaconta-2,4,6,8(13),9,11,14(32),15,17,19(31),20,22,24,26,29-pentadecaene is sourced from PubChem (CID 159718376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).