19-(10-naphthalen-1-ylanthracen-9-yl)-3-[4-(2,3,4,5,6-pentafluorophenyl)phenyl]-3-azahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4,6,8,11,13,15,18,20,22,24-dodecaene;2-[4-(19-naphthalen-2-yl-3-azahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4,6,8,11,13,15,18,20,22,24-dodecaen-3-yl)phenyl]-1,3-benzoxazole;19-naphthalen-2-yl-3-[4-(1,10-phenanthrolin-2-yl)phenyl]-3-azahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4,6,8,11,13,15,18,20,22,24-dodecaene

C159H91F5N6O — CID 159776874

About 19-(10-naphthalen-1-ylanthracen-9-yl)-3-[4-(2,3,4,5,6-pentafluorophenyl)phenyl]-3-azahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4,6,8,11,13,15,18,20,22,24-dodecaene;2-[4-(19-naphthalen-2-yl-3-azahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4,6,8,11,13,15,18,20,22,24-dodecaen-3-yl)phenyl]-1,3-benzoxazole;19-naphthalen-2-yl-3-[4-(1,10-phenanthrolin-2-yl)phenyl]-3-azahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4,6,8,11,13,15,18,20,22,24-dodecaene

19-(10-naphthalen-1-ylanthracen-9-yl)-3-[4-(2,3,4,5,6-pentafluorophenyl)phenyl]-3-azahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4,6,8,11,13,15,18,20,22,24-dodecaene;2-[4-(19-naphthalen-2-yl-3-azahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4,6,8,11,13,15,18,20,22,24-dodecaen-3-yl)phenyl]-1,3-benzoxazole;19-naphthalen-2-yl-3-[4-(1,10-phenanthrolin-2-yl)phenyl]-3-azahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4,6,8,11,13,15,18,20,22,24-dodecaene (PubChem CID 159776874) has the molecular formula C159H91F5N6O and a molecular weight of 2196.51 g/mol. Its IUPAC name is 19-(10-naphthalen-1-ylanthracen-9-yl)-3-[4-(2,3,4,5,6-pentafluorophenyl)phenyl]-3-azahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4,6,8,11,13,15,18,20,22,24-dodecaene;2-[4-(19-naphthalen-2-yl-3-azahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4,6,8,11,13,15,18,20,22,24-dodecaen-3-yl)phenyl]-1,3-benzoxazole;19-naphthalen-2-yl-3-[4-(1,10-phenanthrolin-2-yl)phenyl]-3-azahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4,6,8,11,13,15,18,20,22,24-dodecaene.

Molecular Properties

• Compound Name: 19-(10-naphthalen-1-ylanthracen-9-yl)-3-[4-(2,3,4,5,6-pentafluorophenyl)phenyl]-3-azahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4,6,8,11,13,15,18,20,22,24-dodecaene;2-[4-(19-naphthalen-2-yl-3-azahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4,6,8,11,13,15,18,20,22,24-dodecaen-3-yl)phenyl]-1,3-benzoxazole;19-naphthalen-2-yl-3-[4-(1,10-phenanthrolin-2-yl)phenyl]-3-azahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4,6,8,11,13,15,18,20,22,24-dodecaene
• PubChem CID: 159776874
• Molecular Formula: C159H91F5N6O
• Molecular Weight: 2196.51 g/mol
• Exact Mass: 2194.72
• IUPAC Name: 19-(10-naphthalen-1-ylanthracen-9-yl)-3-[4-(2,3,4,5,6-pentafluorophenyl)phenyl]-3-azahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4,6,8,11,13,15,18,20,22,24-dodecaene;2-[4-(19-naphthalen-2-yl-3-azahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4,6,8,11,13,15,18,20,22,24-dodecaen-3-yl)phenyl]-1,3-benzoxazole;19-naphthalen-2-yl-3-[4-(1,10-phenanthrolin-2-yl)phenyl]-3-azahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4,6,8,11,13,15,18,20,22,24-dodecaene
• SMILES: Fc1c(F)c(F)c(-c2ccc(-n3c4ccccc4c4c5ccccc5c5cc(-c6c7ccccc7c(-c7cccc8ccccc78)c7ccccc67)c6ccccc6c5c43)cc2)c(F)c1F.c1ccc2cc(-c3cc4c5ccccc5c5c6ccccc6n(-c6ccc(-c7ccc8ccc9cccnc9c8n7)cc6)c5c4c4ccccc34)ccc2c1.c1ccc2cc(-c3cc4c5ccccc5c5c6ccccc6n(-c6ccc(-c7nc8ccccc8o7)cc6)c5c4c4ccccc34)ccc2c1
• InChI: InChI=1S/C60H32F5N.C52H31N3.C47H28N2O/c61-55-50(56(62)58(64)59(65)57(55)63)34-28-30-35(31-29-34)66-49-27-12-11-25-46(49)53-40-19-5-4-18-38(40)48-32-47(37-17-3-6-20-41(37)54(48)60(53)66)52-44-23-9-7-21-42(44)51(43-22-8-10-24-45(43)52)39-26-13-15-33-14-1-2-16-36(33)39;1-2-11-36-30-37(22-19-32(36)10-1)44-31-45-40-14-4-6-16-42(40)48-43-17-7-8-18-47(43)55(52(48)49(45)41-15-5-3-13-39(41)44)38-26-23-33(24-27-38)46-28-25-35-21-20-34-12-9-29-53-50(34)51(35)54-46;1-2-12-31-27-32(22-21-29(31)11-1)39-28-40-35-14-4-6-16-37(35)44-38-17-7-9-19-42(38)49(46(44)45(40)36-15-5-3-13-34(36)39)33-25-23-30(24-26-33)47-48-41-18-8-10-20-43(41)50-47/h1-32H;1-31H;1-28H
• InChIKey: NGVXBCAGZCWHQI-UHFFFAOYSA-N
• XLogP: 44.10
• TPSA: 66.60 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 171
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2196.51
LogP ≤ 5	44.10
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 19-(10-naphthalen-1-ylanthracen-9-yl)-3-[4-(2,3,4,5,6-pentafluorophenyl)phenyl]-3-azahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4,6,8,11,13,15,18,20,22,24-dodecaene;2-[4-(19-naphthalen-2-yl-3-azahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4,6,8,11,13,15,18,20,22,24-dodecaen-3-yl)phenyl]-1,3-benzoxazole;19-naphthalen-2-yl-3-[4-(1,10-phenanthrolin-2-yl)phenyl]-3-azahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4,6,8,11,13,15,18,20,22,24-dodecaene?

The IUPAC name of 19-(10-naphthalen-1-ylanthracen-9-yl)-3-[4-(2,3,4,5,6-pentafluorophenyl)phenyl]-3-azahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4,6,8,11,13,15,18,20,22,24-dodecaene;2-[4-(19-naphthalen-2-yl-3-azahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4,6,8,11,13,15,18,20,22,24-dodecaen-3-yl)phenyl]-1,3-benzoxazole;19-naphthalen-2-yl-3-[4-(1,10-phenanthrolin-2-yl)phenyl]-3-azahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4,6,8,11,13,15,18,20,22,24-dodecaene (CID 159776874) is 19-(10-naphthalen-1-ylanthracen-9-yl)-3-[4-(2,3,4,5,6-pentafluorophenyl)phenyl]-3-azahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4,6,8,11,13,15,18,20,22,24-dodecaene;2-[4-(19-naphthalen-2-yl-3-azahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4,6,8,11,13,15,18,20,22,24-dodecaen-3-yl)phenyl]-1,3-benzoxazole;19-naphthalen-2-yl-3-[4-(1,10-phenanthrolin-2-yl)phenyl]-3-azahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4,6,8,11,13,15,18,20,22,24-dodecaene.

What is the SMILES notation for 19-(10-naphthalen-1-ylanthracen-9-yl)-3-[4-(2,3,4,5,6-pentafluorophenyl)phenyl]-3-azahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4,6,8,11,13,15,18,20,22,24-dodecaene;2-[4-(19-naphthalen-2-yl-3-azahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4,6,8,11,13,15,18,20,22,24-dodecaen-3-yl)phenyl]-1,3-benzoxazole;19-naphthalen-2-yl-3-[4-(1,10-phenanthrolin-2-yl)phenyl]-3-azahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4,6,8,11,13,15,18,20,22,24-dodecaene?

The canonical SMILES for 19-(10-naphthalen-1-ylanthracen-9-yl)-3-[4-(2,3,4,5,6-pentafluorophenyl)phenyl]-3-azahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4,6,8,11,13,15,18,20,22,24-dodecaene;2-[4-(19-naphthalen-2-yl-3-azahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4,6,8,11,13,15,18,20,22,24-dodecaen-3-yl)phenyl]-1,3-benzoxazole;19-naphthalen-2-yl-3-[4-(1,10-phenanthrolin-2-yl)phenyl]-3-azahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4,6,8,11,13,15,18,20,22,24-dodecaene is Fc1c(F)c(F)c(-c2ccc(-n3c4ccccc4c4c5ccccc5c5cc(-c6c7ccccc7c(-c7cccc8ccccc78)c7ccccc67)c6ccccc6c5c43)cc2)c(F)c1F.c1ccc2cc(-c3cc4c5ccccc5c5c6ccccc6n(-c6ccc(-c7ccc8ccc9cccnc9c8n7)cc6)c5c4c4ccccc34)ccc2c1.c1ccc2cc(-c3cc4c5ccccc5c5c6ccccc6n(-c6ccc(-c7nc8ccccc8o7)cc6)c5c4c4ccccc34)ccc2c1.

What is the InChIKey of 19-(10-naphthalen-1-ylanthracen-9-yl)-3-[4-(2,3,4,5,6-pentafluorophenyl)phenyl]-3-azahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4,6,8,11,13,15,18,20,22,24-dodecaene;2-[4-(19-naphthalen-2-yl-3-azahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4,6,8,11,13,15,18,20,22,24-dodecaen-3-yl)phenyl]-1,3-benzoxazole;19-naphthalen-2-yl-3-[4-(1,10-phenanthrolin-2-yl)phenyl]-3-azahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4,6,8,11,13,15,18,20,22,24-dodecaene?

The InChIKey is NGVXBCAGZCWHQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H32F5N.C52H31N3.C47H28N2O/c61-55-50(56(62)58(64)59(65)57(55)63)34-28-30-35(31-29-34)66-49-27-12-11-25-46(49)53-40-19-5-4-18-38(40)48-32-47(37-17-3-6-20-41(37)54(48)60(53)66)52-44-23-9-7-21-42(44)51(43-22-8-10-24-45(43)52)39-26-13-15-33-14-1-2-16-36(33)39;1-2-11-36-30-37(22-19-32(36)10-1)44-31-45-40-14-4-6-16-42(40)48-43-17-7-8-18-47(43)55(52(48)49(45)41-15-5-3-13-39(41)44)38-26-23-33(24-27-38)46-28-25-35-21-20-34-12-9-29-53-50(34)51(35)54-46;1-2-12-31-27-32(22-21-29(31)11-1)39-28-40-35-14-4-6-16-37(35)44-38-17-7-9-19-42(38)49(46(44)45(40)36-15-5-3-13-34(36)39)33-25-23-30(24-26-33)47-48-41-18-8-10-20-43(41)50-47/h1-32H;1-31H;1-28H.

What are the key properties of 19-(10-naphthalen-1-ylanthracen-9-yl)-3-[4-(2,3,4,5,6-pentafluorophenyl)phenyl]-3-azahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4,6,8,11,13,15,18,20,22,24-dodecaene;2-[4-(19-naphthalen-2-yl-3-azahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4,6,8,11,13,15,18,20,22,24-dodecaen-3-yl)phenyl]-1,3-benzoxazole;19-naphthalen-2-yl-3-[4-(1,10-phenanthrolin-2-yl)phenyl]-3-azahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4,6,8,11,13,15,18,20,22,24-dodecaene?

19-(10-naphthalen-1-ylanthracen-9-yl)-3-[4-(2,3,4,5,6-pentafluorophenyl)phenyl]-3-azahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4,6,8,11,13,15,18,20,22,24-dodecaene;2-[4-(19-naphthalen-2-yl-3-azahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4,6,8,11,13,15,18,20,22,24-dodecaen-3-yl)phenyl]-1,3-benzoxazole;19-naphthalen-2-yl-3-[4-(1,10-phenanthrolin-2-yl)phenyl]-3-azahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4,6,8,11,13,15,18,20,22,24-dodecaene has a molecular weight of 2196.51 g/mol, XLogP of 44.10, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 19-(10-naphthalen-1-ylanthracen-9-yl)-3-[4-(2,3,4,5,6-pentafluorophenyl)phenyl]-3-azahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4,6,8,11,13,15,18,20,22,24-dodecaene;2-[4-(19-naphthalen-2-yl-3-azahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4,6,8,11,13,15,18,20,22,24-dodecaen-3-yl)phenyl]-1,3-benzoxazole;19-naphthalen-2-yl-3-[4-(1,10-phenanthrolin-2-yl)phenyl]-3-azahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4,6,8,11,13,15,18,20,22,24-dodecaene is sourced from PubChem (CID 159776874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).