3,5-difluoro-4-[4-(6-phenyl-[1,2,5]oxadiazolo[3,4-k]phenanthridin-4-yl)phenyl]benzonitrile;2-[4-(6-phenyl-[1,2,5]oxadiazolo[3,4-k]phenanthridin-4-yl)phenyl]benzene-1,3,5-tricarbonitrile;2-[4-(6-phenyl-[1,2,5]oxadiazolo[3,4-k]phenanthridin-9-yl)phenyl]benzene-1,3,5-tricarbonitrile;2,3,5,6-tetrafluoro-4-[4-(6-phenyl-[1,2,5]oxadiazolo[3,4-k]phenanthridin-4-yl)phenyl]benzonitrile;2,4,6-trifluoro-5-[4-(6-phenyl-[1,2,5]oxadiazolo[3,4-k]phenanthridin-4-yl)phenyl]benzene-1,3-dicarbonitrile

C165H76F9N25O5 — CID 167662585

About 3,5-difluoro-4-[4-(6-phenyl-[1,2,5]oxadiazolo[3,4-k]phenanthridin-4-yl)phenyl]benzonitrile;2-[4-(6-phenyl-[1,2,5]oxadiazolo[3,4-k]phenanthridin-4-yl)phenyl]benzene-1,3,5-tricarbonitrile;2-[4-(6-phenyl-[1,2,5]oxadiazolo[3,4-k]phenanthridin-9-yl)phenyl]benzene-1,3,5-tricarbonitrile;2,3,5,6-tetrafluoro-4-[4-(6-phenyl-[1,2,5]oxadiazolo[3,4-k]phenanthridin-4-yl)phenyl]benzonitrile;2,4,6-trifluoro-5-[4-(6-phenyl-[1,2,5]oxadiazolo[3,4-k]phenanthridin-4-yl)phenyl]benzene-1,3-dicarbonitrile

3,5-difluoro-4-[4-(6-phenyl-[1,2,5]oxadiazolo[3,4-k]phenanthridin-4-yl)phenyl]benzonitrile;2-[4-(6-phenyl-[1,2,5]oxadiazolo[3,4-k]phenanthridin-4-yl)phenyl]benzene-1,3,5-tricarbonitrile;2-[4-(6-phenyl-[1,2,5]oxadiazolo[3,4-k]phenanthridin-9-yl)phenyl]benzene-1,3,5-tricarbonitrile;2,3,5,6-tetrafluoro-4-[4-(6-phenyl-[1,2,5]oxadiazolo[3,4-k]phenanthridin-4-yl)phenyl]benzonitrile;2,4,6-trifluoro-5-[4-(6-phenyl-[1,2,5]oxadiazolo[3,4-k]phenanthridin-4-yl)phenyl]benzene-1,3-dicarbonitrile (PubChem CID 167662585) has the molecular formula C165H76F9N25O5 and a molecular weight of 2659.57 g/mol. Its IUPAC name is 3,5-difluoro-4-[4-(6-phenyl-[1,2,5]oxadiazolo[3,4-k]phenanthridin-4-yl)phenyl]benzonitrile;2-[4-(6-phenyl-[1,2,5]oxadiazolo[3,4-k]phenanthridin-4-yl)phenyl]benzene-1,3,5-tricarbonitrile;2-[4-(6-phenyl-[1,2,5]oxadiazolo[3,4-k]phenanthridin-9-yl)phenyl]benzene-1,3,5-tricarbonitrile;2,3,5,6-tetrafluoro-4-[4-(6-phenyl-[1,2,5]oxadiazolo[3,4-k]phenanthridin-4-yl)phenyl]benzonitrile;2,4,6-trifluoro-5-[4-(6-phenyl-[1,2,5]oxadiazolo[3,4-k]phenanthridin-4-yl)phenyl]benzene-1,3-dicarbonitrile.

Molecular Properties

• Compound Name: 3,5-difluoro-4-[4-(6-phenyl-[1,2,5]oxadiazolo[3,4-k]phenanthridin-4-yl)phenyl]benzonitrile;2-[4-(6-phenyl-[1,2,5]oxadiazolo[3,4-k]phenanthridin-4-yl)phenyl]benzene-1,3,5-tricarbonitrile;2-[4-(6-phenyl-[1,2,5]oxadiazolo[3,4-k]phenanthridin-9-yl)phenyl]benzene-1,3,5-tricarbonitrile;2,3,5,6-tetrafluoro-4-[4-(6-phenyl-[1,2,5]oxadiazolo[3,4-k]phenanthridin-4-yl)phenyl]benzonitrile;2,4,6-trifluoro-5-[4-(6-phenyl-[1,2,5]oxadiazolo[3,4-k]phenanthridin-4-yl)phenyl]benzene-1,3-dicarbonitrile
• PubChem CID: 167662585
• Molecular Formula: C165H76F9N25O5
• Molecular Weight: 2659.57 g/mol
• Exact Mass: 2657.63
• IUPAC Name: 3,5-difluoro-4-[4-(6-phenyl-[1,2,5]oxadiazolo[3,4-k]phenanthridin-4-yl)phenyl]benzonitrile;2-[4-(6-phenyl-[1,2,5]oxadiazolo[3,4-k]phenanthridin-4-yl)phenyl]benzene-1,3,5-tricarbonitrile;2-[4-(6-phenyl-[1,2,5]oxadiazolo[3,4-k]phenanthridin-9-yl)phenyl]benzene-1,3,5-tricarbonitrile;2,3,5,6-tetrafluoro-4-[4-(6-phenyl-[1,2,5]oxadiazolo[3,4-k]phenanthridin-4-yl)phenyl]benzonitrile;2,4,6-trifluoro-5-[4-(6-phenyl-[1,2,5]oxadiazolo[3,4-k]phenanthridin-4-yl)phenyl]benzene-1,3-dicarbonitrile
• SMILES: N#Cc1c(F)c(C#N)c(F)c(-c2ccc(-c3cc4c(-c5ccccc5)nc5ccccc5c4c4nonc34)cc2)c1F.N#Cc1c(F)c(F)c(-c2ccc(-c3cc4c(-c5ccccc5)nc5ccccc5c4c4nonc34)cc2)c(F)c1F.N#Cc1cc(C#N)c(-c2ccc(-c3cc4c(-c5ccccc5)nc5ccccc5c4c4nonc34)cc2)c(C#N)c1.N#Cc1cc(C#N)c(-c2ccc(-c3ccc4c(c3)nc(-c3ccccc3)c3ccc5nonc5c34)cc2)c(C#N)c1.N#Cc1cc(F)c(-c2ccc(-c3cc4c(-c5ccccc5)nc5ccccc5c4c4nonc34)cc2)c(F)c1
• InChI: InChI=1S/2C34H16N6O.C33H14F3N5O.C32H14F4N4O.C32H16F2N4O/c35-17-20-14-24(18-36)30(25(15-20)19-37)22-12-10-21(11-13-22)27-16-28-31(34-33(27)39-41-40-34)26-8-4-5-9-29(26)38-32(28)23-6-2-1-3-7-23;35-17-20-14-25(18-36)31(26(15-20)19-37)22-8-6-21(7-9-22)24-10-11-27-30(16-24)38-33(23-4-2-1-3-5-23)28-12-13-29-34(32(27)28)40-41-39-29;34-28-23(15-37)29(35)26(30(36)24(28)16-38)18-12-10-17(11-13-18)21-14-22-27(33-32(21)40-42-41-33)20-8-4-5-9-25(20)39-31(22)19-6-2-1-3-7-19;33-26-22(15-37)27(34)29(36)24(28(26)35)17-12-10-16(11-13-17)20-14-21-25(32-31(20)39-41-40-32)19-8-4-5-9-23(19)38-30(21)18-6-2-1-3-7-18;33-25-14-18(17-35)15-26(34)28(25)20-12-10-19(11-13-20)23-16-24-29(32-31(23)37-39-38-32)22-8-4-5-9-27(22)36-30(24)21-6-2-1-3-7-21/h2*1-16H;1-14H;1-14H;1-16H
• InChIKey: SDUHFQGMFXPGSZ-UHFFFAOYSA-N
• XLogP: 39.59
• TPSA: 496.95 Ų
• H-Bond Acceptors: 30
• Rotatable Bonds: 15
• Heavy Atoms: 204
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2659.57
LogP ≤ 5	39.59
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	30

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 3,5-difluoro-4-[4-(6-phenyl-[1,2,5]oxadiazolo[3,4-k]phenanthridin-4-yl)phenyl]benzonitrile;2-[4-(6-phenyl-[1,2,5]oxadiazolo[3,4-k]phenanthridin-4-yl)phenyl]benzene-1,3,5-tricarbonitrile;2-[4-(6-phenyl-[1,2,5]oxadiazolo[3,4-k]phenanthridin-9-yl)phenyl]benzene-1,3,5-tricarbonitrile;2,3,5,6-tetrafluoro-4-[4-(6-phenyl-[1,2,5]oxadiazolo[3,4-k]phenanthridin-4-yl)phenyl]benzonitrile;2,4,6-trifluoro-5-[4-(6-phenyl-[1,2,5]oxadiazolo[3,4-k]phenanthridin-4-yl)phenyl]benzene-1,3-dicarbonitrile?

The IUPAC name of 3,5-difluoro-4-[4-(6-phenyl-[1,2,5]oxadiazolo[3,4-k]phenanthridin-4-yl)phenyl]benzonitrile;2-[4-(6-phenyl-[1,2,5]oxadiazolo[3,4-k]phenanthridin-4-yl)phenyl]benzene-1,3,5-tricarbonitrile;2-[4-(6-phenyl-[1,2,5]oxadiazolo[3,4-k]phenanthridin-9-yl)phenyl]benzene-1,3,5-tricarbonitrile;2,3,5,6-tetrafluoro-4-[4-(6-phenyl-[1,2,5]oxadiazolo[3,4-k]phenanthridin-4-yl)phenyl]benzonitrile;2,4,6-trifluoro-5-[4-(6-phenyl-[1,2,5]oxadiazolo[3,4-k]phenanthridin-4-yl)phenyl]benzene-1,3-dicarbonitrile (CID 167662585) is 3,5-difluoro-4-[4-(6-phenyl-[1,2,5]oxadiazolo[3,4-k]phenanthridin-4-yl)phenyl]benzonitrile;2-[4-(6-phenyl-[1,2,5]oxadiazolo[3,4-k]phenanthridin-4-yl)phenyl]benzene-1,3,5-tricarbonitrile;2-[4-(6-phenyl-[1,2,5]oxadiazolo[3,4-k]phenanthridin-9-yl)phenyl]benzene-1,3,5-tricarbonitrile;2,3,5,6-tetrafluoro-4-[4-(6-phenyl-[1,2,5]oxadiazolo[3,4-k]phenanthridin-4-yl)phenyl]benzonitrile;2,4,6-trifluoro-5-[4-(6-phenyl-[1,2,5]oxadiazolo[3,4-k]phenanthridin-4-yl)phenyl]benzene-1,3-dicarbonitrile.

What is the SMILES notation for 3,5-difluoro-4-[4-(6-phenyl-[1,2,5]oxadiazolo[3,4-k]phenanthridin-4-yl)phenyl]benzonitrile;2-[4-(6-phenyl-[1,2,5]oxadiazolo[3,4-k]phenanthridin-4-yl)phenyl]benzene-1,3,5-tricarbonitrile;2-[4-(6-phenyl-[1,2,5]oxadiazolo[3,4-k]phenanthridin-9-yl)phenyl]benzene-1,3,5-tricarbonitrile;2,3,5,6-tetrafluoro-4-[4-(6-phenyl-[1,2,5]oxadiazolo[3,4-k]phenanthridin-4-yl)phenyl]benzonitrile;2,4,6-trifluoro-5-[4-(6-phenyl-[1,2,5]oxadiazolo[3,4-k]phenanthridin-4-yl)phenyl]benzene-1,3-dicarbonitrile?

The canonical SMILES for 3,5-difluoro-4-[4-(6-phenyl-[1,2,5]oxadiazolo[3,4-k]phenanthridin-4-yl)phenyl]benzonitrile;2-[4-(6-phenyl-[1,2,5]oxadiazolo[3,4-k]phenanthridin-4-yl)phenyl]benzene-1,3,5-tricarbonitrile;2-[4-(6-phenyl-[1,2,5]oxadiazolo[3,4-k]phenanthridin-9-yl)phenyl]benzene-1,3,5-tricarbonitrile;2,3,5,6-tetrafluoro-4-[4-(6-phenyl-[1,2,5]oxadiazolo[3,4-k]phenanthridin-4-yl)phenyl]benzonitrile;2,4,6-trifluoro-5-[4-(6-phenyl-[1,2,5]oxadiazolo[3,4-k]phenanthridin-4-yl)phenyl]benzene-1,3-dicarbonitrile is N#Cc1c(F)c(C#N)c(F)c(-c2ccc(-c3cc4c(-c5ccccc5)nc5ccccc5c4c4nonc34)cc2)c1F.N#Cc1c(F)c(F)c(-c2ccc(-c3cc4c(-c5ccccc5)nc5ccccc5c4c4nonc34)cc2)c(F)c1F.N#Cc1cc(C#N)c(-c2ccc(-c3cc4c(-c5ccccc5)nc5ccccc5c4c4nonc34)cc2)c(C#N)c1.N#Cc1cc(C#N)c(-c2ccc(-c3ccc4c(c3)nc(-c3ccccc3)c3ccc5nonc5c34)cc2)c(C#N)c1.N#Cc1cc(F)c(-c2ccc(-c3cc4c(-c5ccccc5)nc5ccccc5c4c4nonc34)cc2)c(F)c1.

What is the InChIKey of 3,5-difluoro-4-[4-(6-phenyl-[1,2,5]oxadiazolo[3,4-k]phenanthridin-4-yl)phenyl]benzonitrile;2-[4-(6-phenyl-[1,2,5]oxadiazolo[3,4-k]phenanthridin-4-yl)phenyl]benzene-1,3,5-tricarbonitrile;2-[4-(6-phenyl-[1,2,5]oxadiazolo[3,4-k]phenanthridin-9-yl)phenyl]benzene-1,3,5-tricarbonitrile;2,3,5,6-tetrafluoro-4-[4-(6-phenyl-[1,2,5]oxadiazolo[3,4-k]phenanthridin-4-yl)phenyl]benzonitrile;2,4,6-trifluoro-5-[4-(6-phenyl-[1,2,5]oxadiazolo[3,4-k]phenanthridin-4-yl)phenyl]benzene-1,3-dicarbonitrile?

The InChIKey is SDUHFQGMFXPGSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C34H16N6O.C33H14F3N5O.C32H14F4N4O.C32H16F2N4O/c35-17-20-14-24(18-36)30(25(15-20)19-37)22-12-10-21(11-13-22)27-16-28-31(34-33(27)39-41-40-34)26-8-4-5-9-29(26)38-32(28)23-6-2-1-3-7-23;35-17-20-14-25(18-36)31(26(15-20)19-37)22-8-6-21(7-9-22)24-10-11-27-30(16-24)38-33(23-4-2-1-3-5-23)28-12-13-29-34(32(27)28)40-41-39-29;34-28-23(15-37)29(35)26(30(36)24(28)16-38)18-12-10-17(11-13-18)21-14-22-27(33-32(21)40-42-41-33)20-8-4-5-9-25(20)39-31(22)19-6-2-1-3-7-19;33-26-22(15-37)27(34)29(36)24(28(26)35)17-12-10-16(11-13-17)20-14-21-25(32-31(20)39-41-40-32)19-8-4-5-9-23(19)38-30(21)18-6-2-1-3-7-18;33-25-14-18(17-35)15-26(34)28(25)20-12-10-19(11-13-20)23-16-24-29(32-31(23)37-39-38-32)22-8-4-5-9-27(22)36-30(24)21-6-2-1-3-7-21/h2*1-16H;1-14H;1-14H;1-16H.

What are the key properties of 3,5-difluoro-4-[4-(6-phenyl-[1,2,5]oxadiazolo[3,4-k]phenanthridin-4-yl)phenyl]benzonitrile;2-[4-(6-phenyl-[1,2,5]oxadiazolo[3,4-k]phenanthridin-4-yl)phenyl]benzene-1,3,5-tricarbonitrile;2-[4-(6-phenyl-[1,2,5]oxadiazolo[3,4-k]phenanthridin-9-yl)phenyl]benzene-1,3,5-tricarbonitrile;2,3,5,6-tetrafluoro-4-[4-(6-phenyl-[1,2,5]oxadiazolo[3,4-k]phenanthridin-4-yl)phenyl]benzonitrile;2,4,6-trifluoro-5-[4-(6-phenyl-[1,2,5]oxadiazolo[3,4-k]phenanthridin-4-yl)phenyl]benzene-1,3-dicarbonitrile?

3,5-difluoro-4-[4-(6-phenyl-[1,2,5]oxadiazolo[3,4-k]phenanthridin-4-yl)phenyl]benzonitrile;2-[4-(6-phenyl-[1,2,5]oxadiazolo[3,4-k]phenanthridin-4-yl)phenyl]benzene-1,3,5-tricarbonitrile;2-[4-(6-phenyl-[1,2,5]oxadiazolo[3,4-k]phenanthridin-9-yl)phenyl]benzene-1,3,5-tricarbonitrile;2,3,5,6-tetrafluoro-4-[4-(6-phenyl-[1,2,5]oxadiazolo[3,4-k]phenanthridin-4-yl)phenyl]benzonitrile;2,4,6-trifluoro-5-[4-(6-phenyl-[1,2,5]oxadiazolo[3,4-k]phenanthridin-4-yl)phenyl]benzene-1,3-dicarbonitrile has a molecular weight of 2659.57 g/mol, XLogP of 39.59, 15 rotatable bonds, 0 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 3,5-difluoro-4-[4-(6-phenyl-[1,2,5]oxadiazolo[3,4-k]phenanthridin-4-yl)phenyl]benzonitrile;2-[4-(6-phenyl-[1,2,5]oxadiazolo[3,4-k]phenanthridin-4-yl)phenyl]benzene-1,3,5-tricarbonitrile;2-[4-(6-phenyl-[1,2,5]oxadiazolo[3,4-k]phenanthridin-9-yl)phenyl]benzene-1,3,5-tricarbonitrile;2,3,5,6-tetrafluoro-4-[4-(6-phenyl-[1,2,5]oxadiazolo[3,4-k]phenanthridin-4-yl)phenyl]benzonitrile;2,4,6-trifluoro-5-[4-(6-phenyl-[1,2,5]oxadiazolo[3,4-k]phenanthridin-4-yl)phenyl]benzene-1,3-dicarbonitrile is sourced from PubChem (CID 167662585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).