16-[4-(2,3-diphenylquinoxalin-6-yl)naphthalen-1-yl]-12-phenyl-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-[5-(2,3-diphenylquinoxalin-6-yl)-2-pyridinyl]-12-phenyl-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-[6-(2,3-diphenylquinoxalin-6-yl)-2-pyridinyl]-12-phenyl-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

C164H102N14 — CID 161226466

About 16-[4-(2,3-diphenylquinoxalin-6-yl)naphthalen-1-yl]-12-phenyl-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-[5-(2,3-diphenylquinoxalin-6-yl)-2-pyridinyl]-12-phenyl-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-[6-(2,3-diphenylquinoxalin-6-yl)-2-pyridinyl]-12-phenyl-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-(2,3-diphenylquinoxalin-6-yl)naphthalen-1-yl]-12-phenyl-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-[5-(2,3-diphenylquinoxalin-6-yl)-2-pyridinyl]-12-phenyl-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-[6-(2,3-diphenylquinoxalin-6-yl)-2-pyridinyl]-12-phenyl-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 161226466) has the molecular formula C164H102N14 and a molecular weight of 2268.72 g/mol. Its IUPAC name is 16-[4-(2,3-diphenylquinoxalin-6-yl)naphthalen-1-yl]-12-phenyl-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-[5-(2,3-diphenylquinoxalin-6-yl)-2-pyridinyl]-12-phenyl-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-[6-(2,3-diphenylquinoxalin-6-yl)-2-pyridinyl]-12-phenyl-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: 16-[4-(2,3-diphenylquinoxalin-6-yl)naphthalen-1-yl]-12-phenyl-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-[5-(2,3-diphenylquinoxalin-6-yl)-2-pyridinyl]-12-phenyl-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-[6-(2,3-diphenylquinoxalin-6-yl)-2-pyridinyl]-12-phenyl-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: 161226466
• Molecular Formula: C164H102N14
• Molecular Weight: 2268.72 g/mol
• Exact Mass: 2266.84
• IUPAC Name: 16-[4-(2,3-diphenylquinoxalin-6-yl)naphthalen-1-yl]-12-phenyl-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-[5-(2,3-diphenylquinoxalin-6-yl)-2-pyridinyl]-12-phenyl-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-[6-(2,3-diphenylquinoxalin-6-yl)-2-pyridinyl]-12-phenyl-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(-c2nc3ccc(-c4ccc(-n5c6ccccc6c6cc7c8ccc9ccccc9c8n(-c8ccccc8)c7cc65)c5ccccc45)cc3nc2-c2ccccc2)cc1.c1ccc(-c2nc3ccc(-c4ccc(-n5c6ccccc6c6cc7c8ccc9ccccc9c8n(-c8ccccc8)c7cc65)nc4)cc3nc2-c2ccccc2)cc1.c1ccc(-c2nc3ccc(-c4cccc(-n5c6ccccc6c6cc7c8ccc9ccccc9c8n(-c8ccccc8)c7cc65)n4)cc3nc2-c2ccccc2)cc1
• InChI: InChI=1S/C58H36N4.2C53H33N5/c1-4-17-38(18-5-1)56-57(39-19-6-2-7-20-39)60-51-34-40(29-32-50(51)59-56)42-31-33-53(45-25-13-12-24-44(42)45)62-52-27-15-14-26-46(52)48-35-49-47-30-28-37-16-10-11-23-43(37)58(47)61(54(49)36-55(48)62)41-21-8-3-9-22-41;1-4-16-35(17-5-1)51-52(36-18-6-2-7-19-36)56-46-31-37(28-30-45(46)55-51)44-24-14-26-50(54-44)58-47-25-13-12-23-40(47)42-32-43-41-29-27-34-15-10-11-22-39(34)53(41)57(48(43)33-49(42)58)38-20-8-3-9-21-38;1-4-15-35(16-5-1)51-52(36-17-6-2-7-18-36)56-46-30-37(25-28-45(46)55-51)38-26-29-50(54-33-38)58-47-23-13-12-22-41(47)43-31-44-42-27-24-34-14-10-11-21-40(34)53(42)57(48(44)32-49(43)58)39-19-8-3-9-20-39/h1-36H;2*1-33H
• InChIKey: UYEPVVCKFHXTRV-UHFFFAOYSA-N
• XLogP: 41.88
• TPSA: 132.70 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 15
• Heavy Atoms: 178
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2268.72
LogP ≤ 5	41.88
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of 16-[4-(2,3-diphenylquinoxalin-6-yl)naphthalen-1-yl]-12-phenyl-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-[5-(2,3-diphenylquinoxalin-6-yl)-2-pyridinyl]-12-phenyl-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-[6-(2,3-diphenylquinoxalin-6-yl)-2-pyridinyl]-12-phenyl-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 16-[4-(2,3-diphenylquinoxalin-6-yl)naphthalen-1-yl]-12-phenyl-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-[5-(2,3-diphenylquinoxalin-6-yl)-2-pyridinyl]-12-phenyl-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-[6-(2,3-diphenylquinoxalin-6-yl)-2-pyridinyl]-12-phenyl-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 161226466) is 16-[4-(2,3-diphenylquinoxalin-6-yl)naphthalen-1-yl]-12-phenyl-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-[5-(2,3-diphenylquinoxalin-6-yl)-2-pyridinyl]-12-phenyl-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-[6-(2,3-diphenylquinoxalin-6-yl)-2-pyridinyl]-12-phenyl-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 16-[4-(2,3-diphenylquinoxalin-6-yl)naphthalen-1-yl]-12-phenyl-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-[5-(2,3-diphenylquinoxalin-6-yl)-2-pyridinyl]-12-phenyl-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-[6-(2,3-diphenylquinoxalin-6-yl)-2-pyridinyl]-12-phenyl-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 16-[4-(2,3-diphenylquinoxalin-6-yl)naphthalen-1-yl]-12-phenyl-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-[5-(2,3-diphenylquinoxalin-6-yl)-2-pyridinyl]-12-phenyl-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-[6-(2,3-diphenylquinoxalin-6-yl)-2-pyridinyl]-12-phenyl-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(-c2nc3ccc(-c4ccc(-n5c6ccccc6c6cc7c8ccc9ccccc9c8n(-c8ccccc8)c7cc65)c5ccccc45)cc3nc2-c2ccccc2)cc1.c1ccc(-c2nc3ccc(-c4ccc(-n5c6ccccc6c6cc7c8ccc9ccccc9c8n(-c8ccccc8)c7cc65)nc4)cc3nc2-c2ccccc2)cc1.c1ccc(-c2nc3ccc(-c4cccc(-n5c6ccccc6c6cc7c8ccc9ccccc9c8n(-c8ccccc8)c7cc65)n4)cc3nc2-c2ccccc2)cc1.

What is the InChIKey of 16-[4-(2,3-diphenylquinoxalin-6-yl)naphthalen-1-yl]-12-phenyl-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-[5-(2,3-diphenylquinoxalin-6-yl)-2-pyridinyl]-12-phenyl-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-[6-(2,3-diphenylquinoxalin-6-yl)-2-pyridinyl]-12-phenyl-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 UYEPVVCKFHXTRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H36N4.2C53H33N5/c1-4-17-38(18-5-1)56-57(39-19-6-2-7-20-39)60-51-34-40(29-32-50(51)59-56)42-31-33-53(45-25-13-12-24-44(42)45)62-52-27-15-14-26-46(52)48-35-49-47-30-28-37-16-10-11-23-43(37)58(47)61(54(49)36-55(48)62)41-21-8-3-9-22-41;1-4-16-35(17-5-1)51-52(36-18-6-2-7-19-36)56-46-31-37(28-30-45(46)55-51)44-24-14-26-50(54-44)58-47-25-13-12-23-40(47)42-32-43-41-29-27-34-15-10-11-22-39(34)53(41)57(48(43)33-49(42)58)38-20-8-3-9-21-38;1-4-15-35(16-5-1)51-52(36-17-6-2-7-18-36)56-46-30-37(25-28-45(46)55-51)38-26-29-50(54-33-38)58-47-23-13-12-22-41(47)43-31-44-42-27-24-34-14-10-11-21-40(34)53(42)57(48(44)32-49(43)58)39-19-8-3-9-20-39/h1-36H;2*1-33H.

What are the key properties of 16-[4-(2,3-diphenylquinoxalin-6-yl)naphthalen-1-yl]-12-phenyl-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-[5-(2,3-diphenylquinoxalin-6-yl)-2-pyridinyl]-12-phenyl-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-[6-(2,3-diphenylquinoxalin-6-yl)-2-pyridinyl]-12-phenyl-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-(2,3-diphenylquinoxalin-6-yl)naphthalen-1-yl]-12-phenyl-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-[5-(2,3-diphenylquinoxalin-6-yl)-2-pyridinyl]-12-phenyl-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-[6-(2,3-diphenylquinoxalin-6-yl)-2-pyridinyl]-12-phenyl-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 2268.72 g/mol, XLogP of 41.88, 15 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 16-[4-(2,3-diphenylquinoxalin-6-yl)naphthalen-1-yl]-12-phenyl-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-[5-(2,3-diphenylquinoxalin-6-yl)-2-pyridinyl]-12-phenyl-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-[6-(2,3-diphenylquinoxalin-6-yl)-2-pyridinyl]-12-phenyl-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 161226466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).