22-[4-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;22-[4-[4,6-di(phenanthren-9-yl)-1,3,5-triazin-2-yl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;22-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;22-[4-[4-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)phenyl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene

C202H122N18 — CID 162207589

About 22-[4-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;22-[4-[4,6-di(phenanthren-9-yl)-1,3,5-triazin-2-yl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;22-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;22-[4-[4-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)phenyl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene

22-[4-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;22-[4-[4,6-di(phenanthren-9-yl)-1,3,5-triazin-2-yl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;22-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;22-[4-[4-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)phenyl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene (PubChem CID 162207589) has the molecular formula C202H122N18 and a molecular weight of 2801.32 g/mol. Its IUPAC name is 22-[4-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;22-[4-[4,6-di(phenanthren-9-yl)-1,3,5-triazin-2-yl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;22-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;22-[4-[4-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)phenyl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene.

Molecular Properties

• Compound Name: 22-[4-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;22-[4-[4,6-di(phenanthren-9-yl)-1,3,5-triazin-2-yl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;22-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;22-[4-[4-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)phenyl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene
• PubChem CID: 162207589
• Molecular Formula: C202H122N18
• Molecular Weight: 2801.32 g/mol
• Exact Mass: 2799.01
• IUPAC Name: 22-[4-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;22-[4-[4,6-di(phenanthren-9-yl)-1,3,5-triazin-2-yl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;22-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;22-[4-[4-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)phenyl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene
• SMILES: c1ccc(-c2nc(-c3ccc(-c4ccc(-c5nc6ccccc6c6c7ccccc7c7ccccc7c56)cc4)cc3)nc(-c3ccccn3)n2)nc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc(-c5nc6ccccc6c6c7ccccc7c7ccccc7c56)cc4)cc3)n2)cc1.c1ccc2c(-c3nc(-c4ccc(-c5nc6ccccc6c6c7ccccc7c7ccccc7c56)cc4)nc(-c4cccc5ccccc45)n3)cccc2c1.c1ccc2c(c1)cc(-c1nc(-c3ccc(-c4nc5ccccc5c5c6ccccc6c6ccccc6c45)cc3)nc(-c3cc4ccccc4c4ccccc34)n1)c1ccccc12
• InChI: InChI=1S/C58H34N4.C50H30N4.C48H30N4.C46H28N6/c1-3-17-39-37(15-1)33-50(45-23-7-5-19-41(39)45)57-60-56(61-58(62-57)51-34-38-16-2-4-18-40(38)42-20-6-8-24-46(42)51)36-31-29-35(30-32-36)55-54-48-26-12-10-22-44(48)43-21-9-11-25-47(43)53(54)49-27-13-14-28-52(49)59-55;1-3-17-35-31(13-1)15-11-24-41(35)49-52-48(53-50(54-49)42-25-12-16-32-14-2-4-18-36(32)42)34-29-27-33(28-30-34)47-46-40-22-8-6-20-38(40)37-19-5-7-21-39(37)45(46)43-23-9-10-26-44(43)51-47;1-3-13-34(14-4-1)46-50-47(35-15-5-2-6-16-35)52-48(51-46)36-29-25-32(26-30-36)31-23-27-33(28-24-31)45-44-40-20-10-8-18-38(40)37-17-7-9-19-39(37)43(44)41-21-11-12-22-42(41)49-45;1-3-13-35-33(11-1)34-12-2-4-14-36(34)42-41(35)37-15-5-6-16-38(37)49-43(42)31-23-19-29(20-24-31)30-21-25-32(26-22-30)44-50-45(39-17-7-9-27-47-39)52-46(51-44)40-18-8-10-28-48-40/h1-34H;1-30H;1-30H;1-28H
• InChIKey: ZSKDIYDNZCFUQC-UHFFFAOYSA-N
• XLogP: 51.23
• TPSA: 232.02 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 18
• Heavy Atoms: 220
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2801.32
LogP ≤ 5	51.23
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 22-[4-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;22-[4-[4,6-di(phenanthren-9-yl)-1,3,5-triazin-2-yl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;22-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;22-[4-[4-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)phenyl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene?

The IUPAC name of 22-[4-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;22-[4-[4,6-di(phenanthren-9-yl)-1,3,5-triazin-2-yl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;22-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;22-[4-[4-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)phenyl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene (CID 162207589) is 22-[4-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;22-[4-[4,6-di(phenanthren-9-yl)-1,3,5-triazin-2-yl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;22-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;22-[4-[4-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)phenyl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene.

What is the SMILES notation for 22-[4-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;22-[4-[4,6-di(phenanthren-9-yl)-1,3,5-triazin-2-yl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;22-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;22-[4-[4-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)phenyl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene?

The canonical SMILES for 22-[4-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;22-[4-[4,6-di(phenanthren-9-yl)-1,3,5-triazin-2-yl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;22-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;22-[4-[4-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)phenyl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene is c1ccc(-c2nc(-c3ccc(-c4ccc(-c5nc6ccccc6c6c7ccccc7c7ccccc7c56)cc4)cc3)nc(-c3ccccn3)n2)nc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc(-c5nc6ccccc6c6c7ccccc7c7ccccc7c56)cc4)cc3)n2)cc1.c1ccc2c(-c3nc(-c4ccc(-c5nc6ccccc6c6c7ccccc7c7ccccc7c56)cc4)nc(-c4cccc5ccccc45)n3)cccc2c1.c1ccc2c(c1)cc(-c1nc(-c3ccc(-c4nc5ccccc5c5c6ccccc6c6ccccc6c45)cc3)nc(-c3cc4ccccc4c4ccccc34)n1)c1ccccc12.

What is the InChIKey of 22-[4-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;22-[4-[4,6-di(phenanthren-9-yl)-1,3,5-triazin-2-yl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;22-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;22-[4-[4-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)phenyl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene?

The InChIKey is ZSKDIYDNZCFUQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H34N4.C50H30N4.C48H30N4.C46H28N6/c1-3-17-39-37(15-1)33-50(45-23-7-5-19-41(39)45)57-60-56(61-58(62-57)51-34-38-16-2-4-18-40(38)42-20-6-8-24-46(42)51)36-31-29-35(30-32-36)55-54-48-26-12-10-22-44(48)43-21-9-11-25-47(43)53(54)49-27-13-14-28-52(49)59-55;1-3-17-35-31(13-1)15-11-24-41(35)49-52-48(53-50(54-49)42-25-12-16-32-14-2-4-18-36(32)42)34-29-27-33(28-30-34)47-46-40-22-8-6-20-38(40)37-19-5-7-21-39(37)45(46)43-23-9-10-26-44(43)51-47;1-3-13-34(14-4-1)46-50-47(35-15-5-2-6-16-35)52-48(51-46)36-29-25-32(26-30-36)31-23-27-33(28-24-31)45-44-40-20-10-8-18-38(40)37-17-7-9-19-39(37)43(44)41-21-11-12-22-42(41)49-45;1-3-13-35-33(11-1)34-12-2-4-14-36(34)42-41(35)37-15-5-6-16-38(37)49-43(42)31-23-19-29(20-24-31)30-21-25-32(26-22-30)44-50-45(39-17-7-9-27-47-39)52-46(51-44)40-18-8-10-28-48-40/h1-34H;1-30H;1-30H;1-28H.

What are the key properties of 22-[4-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;22-[4-[4,6-di(phenanthren-9-yl)-1,3,5-triazin-2-yl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;22-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;22-[4-[4-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)phenyl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene?

22-[4-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;22-[4-[4,6-di(phenanthren-9-yl)-1,3,5-triazin-2-yl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;22-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;22-[4-[4-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)phenyl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene has a molecular weight of 2801.32 g/mol, XLogP of 51.23, 18 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 22-[4-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;22-[4-[4,6-di(phenanthren-9-yl)-1,3,5-triazin-2-yl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;22-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;22-[4-[4-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)phenyl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene is sourced from PubChem (CID 162207589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).