23-[2,6-di(quinolin-8-yl)-4-pyridinyl]-19-phenyl-4-[4-(trifluoromethyl)phenyl]-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17(22),18,20-dodecaene

C60H35F3N4 — CID 121346156

About 23-[2,6-di(quinolin-8-yl)-4-pyridinyl]-19-phenyl-4-[4-(trifluoromethyl)phenyl]-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17(22),18,20-dodecaene

23-[2,6-di(quinolin-8-yl)-4-pyridinyl]-19-phenyl-4-[4-(trifluoromethyl)phenyl]-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17(22),18,20-dodecaene (PubChem CID 121346156) has the molecular formula C60H35F3N4 and a molecular weight of 868.96 g/mol. Its IUPAC name is 23-[2,6-di(quinolin-8-yl)-4-pyridinyl]-19-phenyl-4-[4-(trifluoromethyl)phenyl]-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17(22),18,20-dodecaene.

Molecular Properties

• Compound Name: 23-[2,6-di(quinolin-8-yl)-4-pyridinyl]-19-phenyl-4-[4-(trifluoromethyl)phenyl]-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17(22),18,20-dodecaene
• PubChem CID: 121346156
• Molecular Formula: C60H35F3N4
• Molecular Weight: 868.96 g/mol
• Exact Mass: 868.28
• IUPAC Name: 23-[2,6-di(quinolin-8-yl)-4-pyridinyl]-19-phenyl-4-[4-(trifluoromethyl)phenyl]-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17(22),18,20-dodecaene
• SMILES: FC(F)(F)c1ccc(-c2ccc3c4ccccc4c4cc5c6cc(-c7ccccc7)ccc6n(-c6cc(-c7cccc8cccnc78)nc(-c7cccc8cccnc78)c6)c5cc4c3c2)cc1
• InChI: InChI=1S/C60H35F3N4/c61-60(62,63)42-24-20-37(21-25-42)40-22-26-46-44-16-4-5-17-45(44)50-34-53-52-31-41(36-10-2-1-3-11-36)23-27-56(52)67(57(53)35-51(50)49(46)30-40)43-32-54(47-18-6-12-38-14-8-28-64-58(38)47)66-55(33-43)48-19-7-13-39-15-9-29-65-59(39)48/h1-35H
• InChIKey: KLZYLBXDHHQIHS-UHFFFAOYSA-N
• XLogP: 16.42
• TPSA: 43.60 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	868.96
LogP ≤ 5	16.42
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 23-[2,6-di(quinolin-8-yl)-4-pyridinyl]-19-phenyl-4-[4-(trifluoromethyl)phenyl]-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17(22),18,20-dodecaene?

The IUPAC name of 23-[2,6-di(quinolin-8-yl)-4-pyridinyl]-19-phenyl-4-[4-(trifluoromethyl)phenyl]-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17(22),18,20-dodecaene (CID 121346156) is 23-[2,6-di(quinolin-8-yl)-4-pyridinyl]-19-phenyl-4-[4-(trifluoromethyl)phenyl]-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17(22),18,20-dodecaene.

What is the SMILES notation for 23-[2,6-di(quinolin-8-yl)-4-pyridinyl]-19-phenyl-4-[4-(trifluoromethyl)phenyl]-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17(22),18,20-dodecaene?

The canonical SMILES for 23-[2,6-di(quinolin-8-yl)-4-pyridinyl]-19-phenyl-4-[4-(trifluoromethyl)phenyl]-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17(22),18,20-dodecaene is FC(F)(F)c1ccc(-c2ccc3c4ccccc4c4cc5c6cc(-c7ccccc7)ccc6n(-c6cc(-c7cccc8cccnc78)nc(-c7cccc8cccnc78)c6)c5cc4c3c2)cc1.

What is the InChIKey of 23-[2,6-di(quinolin-8-yl)-4-pyridinyl]-19-phenyl-4-[4-(trifluoromethyl)phenyl]-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17(22),18,20-dodecaene?

The InChIKey is KLZYLBXDHHQIHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H35F3N4/c61-60(62,63)42-24-20-37(21-25-42)40-22-26-46-44-16-4-5-17-45(44)50-34-53-52-31-41(36-10-2-1-3-11-36)23-27-56(52)67(57(53)35-51(50)49(46)30-40)43-32-54(47-18-6-12-38-14-8-28-64-58(38)47)66-55(33-43)48-19-7-13-39-15-9-29-65-59(39)48/h1-35H.

What are the key properties of 23-[2,6-di(quinolin-8-yl)-4-pyridinyl]-19-phenyl-4-[4-(trifluoromethyl)phenyl]-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17(22),18,20-dodecaene?

23-[2,6-di(quinolin-8-yl)-4-pyridinyl]-19-phenyl-4-[4-(trifluoromethyl)phenyl]-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17(22),18,20-dodecaene has a molecular weight of 868.96 g/mol, XLogP of 16.42, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 23-[2,6-di(quinolin-8-yl)-4-pyridinyl]-19-phenyl-4-[4-(trifluoromethyl)phenyl]-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17(22),18,20-dodecaene is sourced from PubChem (CID 121346156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).