12-phenyl-16-(3-phenylquinoxalin-2-yl)-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene;16-phenyl-12-[5-(3-phenylquinoxalin-2-yl)naphthalen-1-yl]-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;12-[4-(3-phenylquinoxalin-2-yl)phenyl]-16-pyridin-2-yl-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;16-[4-(3-phenylquinoxalin-2-yl)phenyl]-12-pyridin-2-yl-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene

C188H116N18 — CID 158104834

About 12-phenyl-16-(3-phenylquinoxalin-2-yl)-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene;16-phenyl-12-[5-(3-phenylquinoxalin-2-yl)naphthalen-1-yl]-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;12-[4-(3-phenylquinoxalin-2-yl)phenyl]-16-pyridin-2-yl-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;16-[4-(3-phenylquinoxalin-2-yl)phenyl]-12-pyridin-2-yl-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene

12-phenyl-16-(3-phenylquinoxalin-2-yl)-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene;16-phenyl-12-[5-(3-phenylquinoxalin-2-yl)naphthalen-1-yl]-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;12-[4-(3-phenylquinoxalin-2-yl)phenyl]-16-pyridin-2-yl-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;16-[4-(3-phenylquinoxalin-2-yl)phenyl]-12-pyridin-2-yl-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene (PubChem CID 158104834) has the molecular formula C188H116N18 and a molecular weight of 2627.12 g/mol. Its IUPAC name is 12-phenyl-16-(3-phenylquinoxalin-2-yl)-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene;16-phenyl-12-[5-(3-phenylquinoxalin-2-yl)naphthalen-1-yl]-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;12-[4-(3-phenylquinoxalin-2-yl)phenyl]-16-pyridin-2-yl-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;16-[4-(3-phenylquinoxalin-2-yl)phenyl]-12-pyridin-2-yl-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene.

Molecular Properties

• Compound Name: 12-phenyl-16-(3-phenylquinoxalin-2-yl)-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene;16-phenyl-12-[5-(3-phenylquinoxalin-2-yl)naphthalen-1-yl]-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;12-[4-(3-phenylquinoxalin-2-yl)phenyl]-16-pyridin-2-yl-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;16-[4-(3-phenylquinoxalin-2-yl)phenyl]-12-pyridin-2-yl-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene
• PubChem CID: 158104834
• Molecular Formula: C188H116N18
• Molecular Weight: 2627.12 g/mol
• Exact Mass: 2624.96
• IUPAC Name: 12-phenyl-16-(3-phenylquinoxalin-2-yl)-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene;16-phenyl-12-[5-(3-phenylquinoxalin-2-yl)naphthalen-1-yl]-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;12-[4-(3-phenylquinoxalin-2-yl)phenyl]-16-pyridin-2-yl-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;16-[4-(3-phenylquinoxalin-2-yl)phenyl]-12-pyridin-2-yl-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene
• SMILES: c1ccc(-c2nc3ccccc3nc2-c2ccc(-n3c4cc5c(cc4c4ccc6ccccc6c43)c3ccccc3n5-c3ccccn3)cc2)cc1.c1ccc(-c2nc3ccccc3nc2-c2ccc(-n3c4ccccc4c4cc5c6ccc7ccccc7c6n(-c6ccccn6)c5cc43)cc2)cc1.c1ccc(-c2nc3ccccc3nc2-c2cccc3c(-n4c5cc6c(cc5c5ccc7ccccc7c54)c4ccccc4n6-c4ccccc4)cccc23)cc1.c1ccc(-c2nc3ccccc3nc2-n2c3ccccc3c3cc4c5cc6ccccc6cc5n(-c5ccccc5)c4cc32)cc1
• InChI: InChI=1S/C52H32N4.2C47H29N5.C42H26N4/c1-3-16-34(17-4-1)50-51(54-45-26-11-10-25-44(45)53-50)40-24-13-23-38-37(40)22-14-28-47(38)56-49-32-48-42(31-43(49)41-30-29-33-15-7-8-20-36(33)52(41)56)39-21-9-12-27-46(39)55(48)35-18-5-2-6-19-35;1-2-13-31(14-3-1)45-46(50-40-18-8-7-17-39(40)49-45)32-21-24-33(25-22-32)51-42-29-43-37(28-38(42)36-26-23-30-12-4-5-15-34(30)47(36)51)35-16-6-9-19-41(35)52(43)44-20-10-11-27-48-44;1-2-13-31(14-3-1)45-46(50-40-18-8-7-17-39(40)49-45)32-21-24-33(25-22-32)51-41-19-9-6-16-35(41)37-28-38-36-26-23-30-12-4-5-15-34(30)47(36)52(43(38)29-42(37)51)44-20-10-11-27-48-44;1-3-13-27(14-4-1)41-42(44-36-21-11-10-20-35(36)43-41)46-37-22-12-9-19-31(37)33-25-34-32-23-28-15-7-8-16-29(28)24-38(32)45(39(34)26-40(33)46)30-17-5-2-6-18-30/h1-32H;2*1-29H;1-26H
• InChIKey: FPSAKYNRDXDQLJ-UHFFFAOYSA-N
• XLogP: 47.52
• TPSA: 168.34 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 15
• Heavy Atoms: 206
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2627.12
LogP ≤ 5	47.52
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of 12-phenyl-16-(3-phenylquinoxalin-2-yl)-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene;16-phenyl-12-[5-(3-phenylquinoxalin-2-yl)naphthalen-1-yl]-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;12-[4-(3-phenylquinoxalin-2-yl)phenyl]-16-pyridin-2-yl-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;16-[4-(3-phenylquinoxalin-2-yl)phenyl]-12-pyridin-2-yl-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene?

The IUPAC name of 12-phenyl-16-(3-phenylquinoxalin-2-yl)-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene;16-phenyl-12-[5-(3-phenylquinoxalin-2-yl)naphthalen-1-yl]-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;12-[4-(3-phenylquinoxalin-2-yl)phenyl]-16-pyridin-2-yl-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;16-[4-(3-phenylquinoxalin-2-yl)phenyl]-12-pyridin-2-yl-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene (CID 158104834) is 12-phenyl-16-(3-phenylquinoxalin-2-yl)-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene;16-phenyl-12-[5-(3-phenylquinoxalin-2-yl)naphthalen-1-yl]-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;12-[4-(3-phenylquinoxalin-2-yl)phenyl]-16-pyridin-2-yl-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;16-[4-(3-phenylquinoxalin-2-yl)phenyl]-12-pyridin-2-yl-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene.

What is the SMILES notation for 12-phenyl-16-(3-phenylquinoxalin-2-yl)-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene;16-phenyl-12-[5-(3-phenylquinoxalin-2-yl)naphthalen-1-yl]-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;12-[4-(3-phenylquinoxalin-2-yl)phenyl]-16-pyridin-2-yl-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;16-[4-(3-phenylquinoxalin-2-yl)phenyl]-12-pyridin-2-yl-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene?

The canonical SMILES for 12-phenyl-16-(3-phenylquinoxalin-2-yl)-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene;16-phenyl-12-[5-(3-phenylquinoxalin-2-yl)naphthalen-1-yl]-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;12-[4-(3-phenylquinoxalin-2-yl)phenyl]-16-pyridin-2-yl-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;16-[4-(3-phenylquinoxalin-2-yl)phenyl]-12-pyridin-2-yl-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene is c1ccc(-c2nc3ccccc3nc2-c2ccc(-n3c4cc5c(cc4c4ccc6ccccc6c43)c3ccccc3n5-c3ccccn3)cc2)cc1.c1ccc(-c2nc3ccccc3nc2-c2ccc(-n3c4ccccc4c4cc5c6ccc7ccccc7c6n(-c6ccccn6)c5cc43)cc2)cc1.c1ccc(-c2nc3ccccc3nc2-c2cccc3c(-n4c5cc6c(cc5c5ccc7ccccc7c54)c4ccccc4n6-c4ccccc4)cccc23)cc1.c1ccc(-c2nc3ccccc3nc2-n2c3ccccc3c3cc4c5cc6ccccc6cc5n(-c5ccccc5)c4cc32)cc1.

What is the InChIKey of 12-phenyl-16-(3-phenylquinoxalin-2-yl)-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene;16-phenyl-12-[5-(3-phenylquinoxalin-2-yl)naphthalen-1-yl]-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;12-[4-(3-phenylquinoxalin-2-yl)phenyl]-16-pyridin-2-yl-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;16-[4-(3-phenylquinoxalin-2-yl)phenyl]-12-pyridin-2-yl-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene?

The InChIKey is FPSAKYNRDXDQLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H32N4.2C47H29N5.C42H26N4/c1-3-16-34(17-4-1)50-51(54-45-26-11-10-25-44(45)53-50)40-24-13-23-38-37(40)22-14-28-47(38)56-49-32-48-42(31-43(49)41-30-29-33-15-7-8-20-36(33)52(41)56)39-21-9-12-27-46(39)55(48)35-18-5-2-6-19-35;1-2-13-31(14-3-1)45-46(50-40-18-8-7-17-39(40)49-45)32-21-24-33(25-22-32)51-42-29-43-37(28-38(42)36-26-23-30-12-4-5-15-34(30)47(36)51)35-16-6-9-19-41(35)52(43)44-20-10-11-27-48-44;1-2-13-31(14-3-1)45-46(50-40-18-8-7-17-39(40)49-45)32-21-24-33(25-22-32)51-41-19-9-6-16-35(41)37-28-38-36-26-23-30-12-4-5-15-34(30)47(36)52(43(38)29-42(37)51)44-20-10-11-27-48-44;1-3-13-27(14-4-1)41-42(44-36-21-11-10-20-35(36)43-41)46-37-22-12-9-19-31(37)33-25-34-32-23-28-15-7-8-16-29(28)24-38(32)45(39(34)26-40(33)46)30-17-5-2-6-18-30/h1-32H;2*1-29H;1-26H.

What are the key properties of 12-phenyl-16-(3-phenylquinoxalin-2-yl)-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene;16-phenyl-12-[5-(3-phenylquinoxalin-2-yl)naphthalen-1-yl]-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;12-[4-(3-phenylquinoxalin-2-yl)phenyl]-16-pyridin-2-yl-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;16-[4-(3-phenylquinoxalin-2-yl)phenyl]-12-pyridin-2-yl-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene?

12-phenyl-16-(3-phenylquinoxalin-2-yl)-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene;16-phenyl-12-[5-(3-phenylquinoxalin-2-yl)naphthalen-1-yl]-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;12-[4-(3-phenylquinoxalin-2-yl)phenyl]-16-pyridin-2-yl-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;16-[4-(3-phenylquinoxalin-2-yl)phenyl]-12-pyridin-2-yl-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene has a molecular weight of 2627.12 g/mol, XLogP of 47.52, 15 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 12-phenyl-16-(3-phenylquinoxalin-2-yl)-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene;16-phenyl-12-[5-(3-phenylquinoxalin-2-yl)naphthalen-1-yl]-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;12-[4-(3-phenylquinoxalin-2-yl)phenyl]-16-pyridin-2-yl-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;16-[4-(3-phenylquinoxalin-2-yl)phenyl]-12-pyridin-2-yl-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene is sourced from PubChem (CID 158104834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).