2-[6-(4-cyanophenyl)-4-phenyl-[1,2,5]oxadiazolo[3,4-k]phenanthridin-9-yl]benzene-1,3,5-tricarbonitrile;4-[9-(4-cyanophenyl)-6-phenyl-[1,2,5]oxadiazolo[3,4-k]phenanthridin-4-yl]-3,5-difluorobenzonitrile;4-[6-(4-cyanophenyl)-4-phenyl-[1,2,5]oxadiazolo[3,4-k]phenanthridin-9-yl]-2,3,5,6-tetrafluorobenzonitrile;4-[9-(4-cyanophenyl)-6-phenyl-[1,2,5]oxadiazolo[3,4-k]phenanthridin-4-yl]-2,3,5,6-tetrafluorobenzonitrile;5-[6-(4-cyanophenyl)-4-phenyl-[1,2,5]oxadiazolo[3,4-k]phenanthridin-9-yl]-2,4,6-trifluorobenzene-1,3-dicarbonitrile

C168H69F13N28O5 — CID 167626298

About 2-[6-(4-cyanophenyl)-4-phenyl-[1,2,5]oxadiazolo[3,4-k]phenanthridin-9-yl]benzene-1,3,5-tricarbonitrile;4-[9-(4-cyanophenyl)-6-phenyl-[1,2,5]oxadiazolo[3,4-k]phenanthridin-4-yl]-3,5-difluorobenzonitrile;4-[6-(4-cyanophenyl)-4-phenyl-[1,2,5]oxadiazolo[3,4-k]phenanthridin-9-yl]-2,3,5,6-tetrafluorobenzonitrile;4-[9-(4-cyanophenyl)-6-phenyl-[1,2,5]oxadiazolo[3,4-k]phenanthridin-4-yl]-2,3,5,6-tetrafluorobenzonitrile;5-[6-(4-cyanophenyl)-4-phenyl-[1,2,5]oxadiazolo[3,4-k]phenanthridin-9-yl]-2,4,6-trifluorobenzene-1,3-dicarbonitrile

2-[6-(4-cyanophenyl)-4-phenyl-[1,2,5]oxadiazolo[3,4-k]phenanthridin-9-yl]benzene-1,3,5-tricarbonitrile;4-[9-(4-cyanophenyl)-6-phenyl-[1,2,5]oxadiazolo[3,4-k]phenanthridin-4-yl]-3,5-difluorobenzonitrile;4-[6-(4-cyanophenyl)-4-phenyl-[1,2,5]oxadiazolo[3,4-k]phenanthridin-9-yl]-2,3,5,6-tetrafluorobenzonitrile;4-[9-(4-cyanophenyl)-6-phenyl-[1,2,5]oxadiazolo[3,4-k]phenanthridin-4-yl]-2,3,5,6-tetrafluorobenzonitrile;5-[6-(4-cyanophenyl)-4-phenyl-[1,2,5]oxadiazolo[3,4-k]phenanthridin-9-yl]-2,4,6-trifluorobenzene-1,3-dicarbonitrile (PubChem CID 167626298) has the molecular formula C168H69F13N28O5 and a molecular weight of 2806.56 g/mol. Its IUPAC name is 2-[6-(4-cyanophenyl)-4-phenyl-[1,2,5]oxadiazolo[3,4-k]phenanthridin-9-yl]benzene-1,3,5-tricarbonitrile;4-[9-(4-cyanophenyl)-6-phenyl-[1,2,5]oxadiazolo[3,4-k]phenanthridin-4-yl]-3,5-difluorobenzonitrile;4-[6-(4-cyanophenyl)-4-phenyl-[1,2,5]oxadiazolo[3,4-k]phenanthridin-9-yl]-2,3,5,6-tetrafluorobenzonitrile;4-[9-(4-cyanophenyl)-6-phenyl-[1,2,5]oxadiazolo[3,4-k]phenanthridin-4-yl]-2,3,5,6-tetrafluorobenzonitrile;5-[6-(4-cyanophenyl)-4-phenyl-[1,2,5]oxadiazolo[3,4-k]phenanthridin-9-yl]-2,4,6-trifluorobenzene-1,3-dicarbonitrile.

Molecular Properties

• Compound Name: 2-[6-(4-cyanophenyl)-4-phenyl-[1,2,5]oxadiazolo[3,4-k]phenanthridin-9-yl]benzene-1,3,5-tricarbonitrile;4-[9-(4-cyanophenyl)-6-phenyl-[1,2,5]oxadiazolo[3,4-k]phenanthridin-4-yl]-3,5-difluorobenzonitrile;4-[6-(4-cyanophenyl)-4-phenyl-[1,2,5]oxadiazolo[3,4-k]phenanthridin-9-yl]-2,3,5,6-tetrafluorobenzonitrile;4-[9-(4-cyanophenyl)-6-phenyl-[1,2,5]oxadiazolo[3,4-k]phenanthridin-4-yl]-2,3,5,6-tetrafluorobenzonitrile;5-[6-(4-cyanophenyl)-4-phenyl-[1,2,5]oxadiazolo[3,4-k]phenanthridin-9-yl]-2,4,6-trifluorobenzene-1,3-dicarbonitrile
• PubChem CID: 167626298
• Molecular Formula: C168H69F13N28O5
• Molecular Weight: 2806.56 g/mol
• Exact Mass: 2804.58
• IUPAC Name: 2-[6-(4-cyanophenyl)-4-phenyl-[1,2,5]oxadiazolo[3,4-k]phenanthridin-9-yl]benzene-1,3,5-tricarbonitrile;4-[9-(4-cyanophenyl)-6-phenyl-[1,2,5]oxadiazolo[3,4-k]phenanthridin-4-yl]-3,5-difluorobenzonitrile;4-[6-(4-cyanophenyl)-4-phenyl-[1,2,5]oxadiazolo[3,4-k]phenanthridin-9-yl]-2,3,5,6-tetrafluorobenzonitrile;4-[9-(4-cyanophenyl)-6-phenyl-[1,2,5]oxadiazolo[3,4-k]phenanthridin-4-yl]-2,3,5,6-tetrafluorobenzonitrile;5-[6-(4-cyanophenyl)-4-phenyl-[1,2,5]oxadiazolo[3,4-k]phenanthridin-9-yl]-2,4,6-trifluorobenzene-1,3-dicarbonitrile
• SMILES: N#Cc1ccc(-c2ccc3c(c2)nc(-c2ccccc2)c2cc(-c4c(F)c(F)c(C#N)c(F)c4F)c4nonc4c23)cc1.N#Cc1ccc(-c2ccc3c(c2)nc(-c2ccccc2)c2cc(-c4c(F)cc(C#N)cc4F)c4nonc4c23)cc1.N#Cc1ccc(-c2nc3cc(-c4c(C#N)cc(C#N)cc4C#N)ccc3c3c2cc(-c2ccccc2)c2nonc23)cc1.N#Cc1ccc(-c2nc3cc(-c4c(F)c(C#N)c(F)c(C#N)c4F)ccc3c3c2cc(-c2ccccc2)c2nonc23)cc1.N#Cc1ccc(-c2nc3cc(-c4c(F)c(F)c(C#N)c(F)c4F)ccc3c3c2cc(-c2ccccc2)c2nonc23)cc1
• InChI: InChI=1S/C35H15N7O.C34H13F3N6O.2C33H13F4N5O.C33H15F2N5O/c36-16-20-6-8-23(9-7-20)33-29-15-28(22-4-2-1-3-5-22)34-35(42-43-41-34)32(29)27-11-10-24(14-30(27)40-33)31-25(18-38)12-21(17-37)13-26(31)19-39;35-29-24(15-39)30(36)27(31(37)25(29)16-40)20-10-11-21-26(12-20)41-32(19-8-6-17(14-38)7-9-19)23-13-22(18-4-2-1-3-5-18)33-34(28(21)23)43-44-42-33;34-27-23(15-39)28(35)30(37)26(29(27)36)22-13-21-25(33-32(22)41-43-42-33)20-11-10-19(17-8-6-16(14-38)7-9-17)12-24(20)40-31(21)18-4-2-1-3-5-18;34-27-23(15-39)28(35)30(37)25(29(27)36)19-10-11-20-24(12-19)40-31(18-8-6-16(14-38)7-9-18)22-13-21(17-4-2-1-3-5-17)32-33(26(20)22)42-43-41-32;34-26-12-19(17-37)13-27(35)30(26)25-15-24-29(33-32(25)39-41-40-33)23-11-10-22(20-8-6-18(16-36)7-9-20)14-28(23)38-31(24)21-4-2-1-3-5-21/h1-15H;1-13H;2*1-13H;1-15H
• InChIKey: NDNZSNDMXCWUIW-UHFFFAOYSA-N
• XLogP: 39.77
• TPSA: 568.32 Ų
• H-Bond Acceptors: 33
• Rotatable Bonds: 15
• Heavy Atoms: 214
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2806.56
LogP ≤ 5	39.77
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[6-(4-cyanophenyl)-4-phenyl-[1,2,5]oxadiazolo[3,4-k]phenanthridin-9-yl]benzene-1,3,5-tricarbonitrile;4-[9-(4-cyanophenyl)-6-phenyl-[1,2,5]oxadiazolo[3,4-k]phenanthridin-4-yl]-3,5-difluorobenzonitrile;4-[6-(4-cyanophenyl)-4-phenyl-[1,2,5]oxadiazolo[3,4-k]phenanthridin-9-yl]-2,3,5,6-tetrafluorobenzonitrile;4-[9-(4-cyanophenyl)-6-phenyl-[1,2,5]oxadiazolo[3,4-k]phenanthridin-4-yl]-2,3,5,6-tetrafluorobenzonitrile;5-[6-(4-cyanophenyl)-4-phenyl-[1,2,5]oxadiazolo[3,4-k]phenanthridin-9-yl]-2,4,6-trifluorobenzene-1,3-dicarbonitrile?

The IUPAC name of 2-[6-(4-cyanophenyl)-4-phenyl-[1,2,5]oxadiazolo[3,4-k]phenanthridin-9-yl]benzene-1,3,5-tricarbonitrile;4-[9-(4-cyanophenyl)-6-phenyl-[1,2,5]oxadiazolo[3,4-k]phenanthridin-4-yl]-3,5-difluorobenzonitrile;4-[6-(4-cyanophenyl)-4-phenyl-[1,2,5]oxadiazolo[3,4-k]phenanthridin-9-yl]-2,3,5,6-tetrafluorobenzonitrile;4-[9-(4-cyanophenyl)-6-phenyl-[1,2,5]oxadiazolo[3,4-k]phenanthridin-4-yl]-2,3,5,6-tetrafluorobenzonitrile;5-[6-(4-cyanophenyl)-4-phenyl-[1,2,5]oxadiazolo[3,4-k]phenanthridin-9-yl]-2,4,6-trifluorobenzene-1,3-dicarbonitrile (CID 167626298) is 2-[6-(4-cyanophenyl)-4-phenyl-[1,2,5]oxadiazolo[3,4-k]phenanthridin-9-yl]benzene-1,3,5-tricarbonitrile;4-[9-(4-cyanophenyl)-6-phenyl-[1,2,5]oxadiazolo[3,4-k]phenanthridin-4-yl]-3,5-difluorobenzonitrile;4-[6-(4-cyanophenyl)-4-phenyl-[1,2,5]oxadiazolo[3,4-k]phenanthridin-9-yl]-2,3,5,6-tetrafluorobenzonitrile;4-[9-(4-cyanophenyl)-6-phenyl-[1,2,5]oxadiazolo[3,4-k]phenanthridin-4-yl]-2,3,5,6-tetrafluorobenzonitrile;5-[6-(4-cyanophenyl)-4-phenyl-[1,2,5]oxadiazolo[3,4-k]phenanthridin-9-yl]-2,4,6-trifluorobenzene-1,3-dicarbonitrile.

What is the SMILES notation for 2-[6-(4-cyanophenyl)-4-phenyl-[1,2,5]oxadiazolo[3,4-k]phenanthridin-9-yl]benzene-1,3,5-tricarbonitrile;4-[9-(4-cyanophenyl)-6-phenyl-[1,2,5]oxadiazolo[3,4-k]phenanthridin-4-yl]-3,5-difluorobenzonitrile;4-[6-(4-cyanophenyl)-4-phenyl-[1,2,5]oxadiazolo[3,4-k]phenanthridin-9-yl]-2,3,5,6-tetrafluorobenzonitrile;4-[9-(4-cyanophenyl)-6-phenyl-[1,2,5]oxadiazolo[3,4-k]phenanthridin-4-yl]-2,3,5,6-tetrafluorobenzonitrile;5-[6-(4-cyanophenyl)-4-phenyl-[1,2,5]oxadiazolo[3,4-k]phenanthridin-9-yl]-2,4,6-trifluorobenzene-1,3-dicarbonitrile?

The canonical SMILES for 2-[6-(4-cyanophenyl)-4-phenyl-[1,2,5]oxadiazolo[3,4-k]phenanthridin-9-yl]benzene-1,3,5-tricarbonitrile;4-[9-(4-cyanophenyl)-6-phenyl-[1,2,5]oxadiazolo[3,4-k]phenanthridin-4-yl]-3,5-difluorobenzonitrile;4-[6-(4-cyanophenyl)-4-phenyl-[1,2,5]oxadiazolo[3,4-k]phenanthridin-9-yl]-2,3,5,6-tetrafluorobenzonitrile;4-[9-(4-cyanophenyl)-6-phenyl-[1,2,5]oxadiazolo[3,4-k]phenanthridin-4-yl]-2,3,5,6-tetrafluorobenzonitrile;5-[6-(4-cyanophenyl)-4-phenyl-[1,2,5]oxadiazolo[3,4-k]phenanthridin-9-yl]-2,4,6-trifluorobenzene-1,3-dicarbonitrile is N#Cc1ccc(-c2ccc3c(c2)nc(-c2ccccc2)c2cc(-c4c(F)c(F)c(C#N)c(F)c4F)c4nonc4c23)cc1.N#Cc1ccc(-c2ccc3c(c2)nc(-c2ccccc2)c2cc(-c4c(F)cc(C#N)cc4F)c4nonc4c23)cc1.N#Cc1ccc(-c2nc3cc(-c4c(C#N)cc(C#N)cc4C#N)ccc3c3c2cc(-c2ccccc2)c2nonc23)cc1.N#Cc1ccc(-c2nc3cc(-c4c(F)c(C#N)c(F)c(C#N)c4F)ccc3c3c2cc(-c2ccccc2)c2nonc23)cc1.N#Cc1ccc(-c2nc3cc(-c4c(F)c(F)c(C#N)c(F)c4F)ccc3c3c2cc(-c2ccccc2)c2nonc23)cc1.

What is the InChIKey of 2-[6-(4-cyanophenyl)-4-phenyl-[1,2,5]oxadiazolo[3,4-k]phenanthridin-9-yl]benzene-1,3,5-tricarbonitrile;4-[9-(4-cyanophenyl)-6-phenyl-[1,2,5]oxadiazolo[3,4-k]phenanthridin-4-yl]-3,5-difluorobenzonitrile;4-[6-(4-cyanophenyl)-4-phenyl-[1,2,5]oxadiazolo[3,4-k]phenanthridin-9-yl]-2,3,5,6-tetrafluorobenzonitrile;4-[9-(4-cyanophenyl)-6-phenyl-[1,2,5]oxadiazolo[3,4-k]phenanthridin-4-yl]-2,3,5,6-tetrafluorobenzonitrile;5-[6-(4-cyanophenyl)-4-phenyl-[1,2,5]oxadiazolo[3,4-k]phenanthridin-9-yl]-2,4,6-trifluorobenzene-1,3-dicarbonitrile?

The InChIKey is NDNZSNDMXCWUIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H15N7O.C34H13F3N6O.2C33H13F4N5O.C33H15F2N5O/c36-16-20-6-8-23(9-7-20)33-29-15-28(22-4-2-1-3-5-22)34-35(42-43-41-34)32(29)27-11-10-24(14-30(27)40-33)31-25(18-38)12-21(17-37)13-26(31)19-39;35-29-24(15-39)30(36)27(31(37)25(29)16-40)20-10-11-21-26(12-20)41-32(19-8-6-17(14-38)7-9-19)23-13-22(18-4-2-1-3-5-18)33-34(28(21)23)43-44-42-33;34-27-23(15-39)28(35)30(37)26(29(27)36)22-13-21-25(33-32(22)41-43-42-33)20-11-10-19(17-8-6-16(14-38)7-9-17)12-24(20)40-31(21)18-4-2-1-3-5-18;34-27-23(15-39)28(35)30(37)25(29(27)36)19-10-11-20-24(12-19)40-31(18-8-6-16(14-38)7-9-18)22-13-21(17-4-2-1-3-5-17)32-33(26(20)22)42-43-41-32;34-26-12-19(17-37)13-27(35)30(26)25-15-24-29(33-32(25)39-41-40-33)23-11-10-22(20-8-6-18(16-36)7-9-20)14-28(23)38-31(24)21-4-2-1-3-5-21/h1-15H;1-13H;2*1-13H;1-15H.

What are the key properties of 2-[6-(4-cyanophenyl)-4-phenyl-[1,2,5]oxadiazolo[3,4-k]phenanthridin-9-yl]benzene-1,3,5-tricarbonitrile;4-[9-(4-cyanophenyl)-6-phenyl-[1,2,5]oxadiazolo[3,4-k]phenanthridin-4-yl]-3,5-difluorobenzonitrile;4-[6-(4-cyanophenyl)-4-phenyl-[1,2,5]oxadiazolo[3,4-k]phenanthridin-9-yl]-2,3,5,6-tetrafluorobenzonitrile;4-[9-(4-cyanophenyl)-6-phenyl-[1,2,5]oxadiazolo[3,4-k]phenanthridin-4-yl]-2,3,5,6-tetrafluorobenzonitrile;5-[6-(4-cyanophenyl)-4-phenyl-[1,2,5]oxadiazolo[3,4-k]phenanthridin-9-yl]-2,4,6-trifluorobenzene-1,3-dicarbonitrile?

2-[6-(4-cyanophenyl)-4-phenyl-[1,2,5]oxadiazolo[3,4-k]phenanthridin-9-yl]benzene-1,3,5-tricarbonitrile;4-[9-(4-cyanophenyl)-6-phenyl-[1,2,5]oxadiazolo[3,4-k]phenanthridin-4-yl]-3,5-difluorobenzonitrile;4-[6-(4-cyanophenyl)-4-phenyl-[1,2,5]oxadiazolo[3,4-k]phenanthridin-9-yl]-2,3,5,6-tetrafluorobenzonitrile;4-[9-(4-cyanophenyl)-6-phenyl-[1,2,5]oxadiazolo[3,4-k]phenanthridin-4-yl]-2,3,5,6-tetrafluorobenzonitrile;5-[6-(4-cyanophenyl)-4-phenyl-[1,2,5]oxadiazolo[3,4-k]phenanthridin-9-yl]-2,4,6-trifluorobenzene-1,3-dicarbonitrile has a molecular weight of 2806.56 g/mol, XLogP of 39.77, 15 rotatable bonds, 0 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-(4-cyanophenyl)-4-phenyl-[1,2,5]oxadiazolo[3,4-k]phenanthridin-9-yl]benzene-1,3,5-tricarbonitrile;4-[9-(4-cyanophenyl)-6-phenyl-[1,2,5]oxadiazolo[3,4-k]phenanthridin-4-yl]-3,5-difluorobenzonitrile;4-[6-(4-cyanophenyl)-4-phenyl-[1,2,5]oxadiazolo[3,4-k]phenanthridin-9-yl]-2,3,5,6-tetrafluorobenzonitrile;4-[9-(4-cyanophenyl)-6-phenyl-[1,2,5]oxadiazolo[3,4-k]phenanthridin-4-yl]-2,3,5,6-tetrafluorobenzonitrile;5-[6-(4-cyanophenyl)-4-phenyl-[1,2,5]oxadiazolo[3,4-k]phenanthridin-9-yl]-2,4,6-trifluorobenzene-1,3-dicarbonitrile is sourced from PubChem (CID 167626298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).