2,6-difluoro-4-[4-(6-phenyl-[1,2,5]thiadiazolo[3,4-k]phenanthridin-4-yl)phenyl]benzonitrile;2,3,5,6-tetrafluoro-4-[4-(6-phenyl-[1,2,5]thiadiazolo[3,4-k]phenanthridin-4-yl)phenyl]benzonitrile;2,3,5-trifluoro-4-[4-(6-phenyl-[1,2,5]thiadiazolo[3,4-k]phenanthridin-4-yl)phenyl]benzonitrile;2,3,6-trifluoro-4-[4-(6-phenyl-[1,2,5]thiadiazolo[3,4-k]phenanthridin-4-yl)phenyl]benzonitrile

C128H60F12N16S4 — CID 167553498

IUPAC2,6-difluoro-4-[4-(6-phenyl-[1,2,5]thiadiazolo[3,4-k]phenanthridin-4-yl)phenyl]benzonitrile;2,3,5,6-tetrafluoro-4-[4-(6-phenyl-[1,2,5]thiadiazolo[3,4-k]phenanthridin-4-yl)phenyl]benzonitrile;2,3,5-trifluoro-4-[4-(6-phenyl-[1,2,5]thiadiazolo[3,4-k]phenanthridin-4-yl)phenyl]benzonitrile;2,3,6-trifluoro-4-[4-(6-phenyl-[1,2,5]thiadiazolo[3,4-k]phenanthridin-4-yl)phenyl]benzonitrile
SMILESN#Cc1c(F)c(F)c(-c2ccc(-c3cc4c(-c5ccccc5)nc5ccccc5c4c4nsnc34)cc2)c(F)c1F.N#Cc1c(F)cc(-c2ccc(-c3cc4c(-c5ccccc5)nc5ccccc5c4c4nsnc34)cc2)c(F)c1F.N#Cc1c(F)cc(-c2ccc(-c3cc4c(-c5ccccc5)nc5ccccc5c4c4nsnc34)cc2)cc1F.N#Cc1cc(F)c(-c2ccc(-c3cc4c(-c5ccccc5)nc5ccccc5c4c4nsnc34)cc2)c(F)c1F
InChIInChI=1S/C32H14F4N4S.2C32H15F3N4S.C32H16F2N4S/c33-26-22(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;33-24-14-20(16-36)28(34)29(35)26(24)18-12-10-17(11-13-18)22-15-23-27(32-31(22)38-40-39-32)21-8-4-5-9-25(21)37-30(23)19-6-2-1-3-7-19;33-25-15-21(28(34)29(35)24(25)16-36)17-10-12-18(13-11-17)22-14-23-27(32-31(22)38-40-39-32)20-8-4-5-9-26(20)37-30(23)19-6-2-1-3-7-19;33-26-14-21(15-27(34)25(26)17-35)18-10-12-19(13-11-18)23-16-24-29(32-31(23)37-39-38-32)22-8-4-5-9-28(22)36-30(24)20-6-2-1-3-7-20/h1-14H;2*1-15H;1-16H
InChIKeyCSCOPTJKSJTJNQ-UHFFFAOYSA-N
MW2178.24 g/mol
LogP34.73
Rot. Bonds12

About 2,6-difluoro-4-[4-(6-phenyl-[1,2,5]thiadiazolo[3,4-k]phenanthridin-4-yl)phenyl]benzonitrile;2,3,5,6-tetrafluoro-4-[4-(6-phenyl-[1,2,5]thiadiazolo[3,4-k]phenanthridin-4-yl)phenyl]benzonitrile;2,3,5-trifluoro-4-[4-(6-phenyl-[1,2,5]thiadiazolo[3,4-k]phenanthridin-4-yl)phenyl]benzonitrile;2,3,6-trifluoro-4-[4-(6-phenyl-[1,2,5]thiadiazolo[3,4-k]phenanthridin-4-yl)phenyl]benzonitrile

2,6-difluoro-4-[4-(6-phenyl-[1,2,5]thiadiazolo[3,4-k]phenanthridin-4-yl)phenyl]benzonitrile;2,3,5,6-tetrafluoro-4-[4-(6-phenyl-[1,2,5]thiadiazolo[3,4-k]phenanthridin-4-yl)phenyl]benzonitrile;2,3,5-trifluoro-4-[4-(6-phenyl-[1,2,5]thiadiazolo[3,4-k]phenanthridin-4-yl)phenyl]benzonitrile;2,3,6-trifluoro-4-[4-(6-phenyl-[1,2,5]thiadiazolo[3,4-k]phenanthridin-4-yl)phenyl]benzonitrile (PubChem CID 167553498) has the molecular formula C128H60F12N16S4 and a molecular weight of 2178.24 g/mol. Its IUPAC name is 2,6-difluoro-4-[4-(6-phenyl-[1,2,5]thiadiazolo[3,4-k]phenanthridin-4-yl)phenyl]benzonitrile;2,3,5,6-tetrafluoro-4-[4-(6-phenyl-[1,2,5]thiadiazolo[3,4-k]phenanthridin-4-yl)phenyl]benzonitrile;2,3,5-trifluoro-4-[4-(6-phenyl-[1,2,5]thiadiazolo[3,4-k]phenanthridin-4-yl)phenyl]benzonitrile;2,3,6-trifluoro-4-[4-(6-phenyl-[1,2,5]thiadiazolo[3,4-k]phenanthridin-4-yl)phenyl]benzonitrile.

Molecular Properties

Compound Name2,6-difluoro-4-[4-(6-phenyl-[1,2,5]thiadiazolo[3,4-k]phenanthridin-4-yl)phenyl]benzonitrile;2,3,5,6-tetrafluoro-4-[4-(6-phenyl-[1,2,5]thiadiazolo[3,4-k]phenanthridin-4-yl)phenyl]benzonitrile;2,3,5-trifluoro-4-[4-(6-phenyl-[1,2,5]thiadiazolo[3,4-k]phenanthridin-4-yl)phenyl]benzonitrile;2,3,6-trifluoro-4-[4-(6-phenyl-[1,2,5]thiadiazolo[3,4-k]phenanthridin-4-yl)phenyl]benzonitrile
PubChem CID167553498
Molecular FormulaC128H60F12N16S4
Molecular Weight2178.24 g/mol
Exact Mass2176.39
IUPAC Name2,6-difluoro-4-[4-(6-phenyl-[1,2,5]thiadiazolo[3,4-k]phenanthridin-4-yl)phenyl]benzonitrile;2,3,5,6-tetrafluoro-4-[4-(6-phenyl-[1,2,5]thiadiazolo[3,4-k]phenanthridin-4-yl)phenyl]benzonitrile;2,3,5-trifluoro-4-[4-(6-phenyl-[1,2,5]thiadiazolo[3,4-k]phenanthridin-4-yl)phenyl]benzonitrile;2,3,6-trifluoro-4-[4-(6-phenyl-[1,2,5]thiadiazolo[3,4-k]phenanthridin-4-yl)phenyl]benzonitrile
SMILESN#Cc1c(F)c(F)c(-c2ccc(-c3cc4c(-c5ccccc5)nc5ccccc5c4c4nsnc34)cc2)c(F)c1F.N#Cc1c(F)cc(-c2ccc(-c3cc4c(-c5ccccc5)nc5ccccc5c4c4nsnc34)cc2)c(F)c1F.N#Cc1c(F)cc(-c2ccc(-c3cc4c(-c5ccccc5)nc5ccccc5c4c4nsnc34)cc2)cc1F.N#Cc1cc(F)c(-c2ccc(-c3cc4c(-c5ccccc5)nc5ccccc5c4c4nsnc34)cc2)c(F)c1F
InChIInChI=1S/C32H14F4N4S.2C32H15F3N4S.C32H16F2N4S/c33-26-22(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;33-24-14-20(16-36)28(34)29(35)26(24)18-12-10-17(11-13-18)22-15-23-27(32-31(22)38-40-39-32)21-8-4-5-9-25(21)37-30(23)19-6-2-1-3-7-19;33-25-15-21(28(34)29(35)24(25)16-36)17-10-12-18(13-11-17)22-14-23-27(32-31(22)38-40-39-32)20-8-4-5-9-26(20)37-30(23)19-6-2-1-3-7-19;33-26-14-21(15-27(34)25(26)17-35)18-10-12-19(13-11-18)23-16-24-29(32-31(23)37-39-38-32)22-8-4-5-9-28(22)36-30(24)20-6-2-1-3-7-20/h1-14H;2*1-15H;1-16H
InChIKeyCSCOPTJKSJTJNQ-UHFFFAOYSA-N
XLogP34.73
TPSA249.84 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds12
Heavy Atoms160
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002178.24
LogP ≤ 534.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

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

Analyze 2,6-difluoro-4-[4-(6-phenyl-[1,2,5]thiadiazolo[3,4-k]phenanthridin-4-yl)phenyl]benzonitrile;2,3,5,6-tetrafluoro-4-[4-(6-phenyl-[1,2,5]thiadiazolo[3,4-k]phenanthridin-4-yl)phenyl]benzonitrile;2,3,5-trifluoro-4-[4-(6-phenyl-[1,2,5]thiadiazolo[3,4-k]phenanthridin-4-yl)phenyl]benzonitrile;2,3,6-trifluoro-4-[4-(6-phenyl-[1,2,5]thiadiazolo[3,4-k]phenanthridin-4-yl)phenyl]benzonitrile with MolForge

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Related Compounds

4-[6-(4-cyanophenyl)-4-phenyl-[1,2,5]thiadiazolo[3,4-k]phenanthridin-9-yl]-2,3,5,6-tetrafluorobenzonitrile
CID 165382897
5-[4-[6-(3,5-dicyanophenyl)-[1,2,5]thiadiazolo[3,4-k]phenanthridin-4-yl]phenyl]-2,4,6-trifluorobenzene-1,3-dicarbonitrile
CID 163645456
4-[9-(3-cyanophenyl)-6-phenyl-[1,2,5]thiadiazolo[3,4-k]phenanthridin-4-yl]-2,3,5,6-tetrafluorobenzonitrile
CID 165382884
3,5-difluoro-4-[4-[4-([1,2,5]thiadiazolo[3,4-k]phenanthridin-6-yl)phenyl]phenyl]benzonitrile;5-[4-[4-([1,2,5]thiadiazolo[3,4-k]phenanthridin-6-yl)phenyl]phenyl]benzene-1,3-dicarbonitrile;2-[4-[4-([1,2,5]thiadiazolo[3,4-k]phenanthridin-6-yl)phenyl]phenyl]benzene-1,3,5-tricarbonitrile;2,4,6-trifluoro-3-[4-[4-([1,2,5]thiadiazolo[3,4-k]phenanthridin-6-yl)phenyl]phenyl]benzonitrile
CID 167586784
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
5-[4-[4-(4-cyanophenyl)-[1,2,5]oxadiazolo[3,4-k]phenanthridin-6-yl]phenyl]-2,4,6-trifluorobenzene-1,3-dicarbonitrile
CID 165383229
4-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-6-phenyl-[1,2,5]thiadiazolo[3,4-k]phenanthridine;6-phenyl-4-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1,2,5]thiadiazolo[3,4-k]phenanthridine
CID 167619520
2,3-diphenyl-7-[4-(3,4,5-trifluorophenyl)phenyl]pyrazino[2,3-k]phenanthridine-5-carbonitrile
CID 167063941
4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-6-phenyl-[1,2,5]thiadiazolo[3,4-k]phenanthridine
CID 165383171
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
5-[4-[9-(2-cyanophenyl)-[1,2,5]thiadiazolo[3,4-k]phenanthridin-6-yl]phenyl]-2,4,6-trifluorobenzene-1,3-dicarbonitrile
CID 165382911
2,3-bis(4-cyanophenyl)-7-[4-(2,3,4,5,6-pentafluorophenyl)phenyl]pyrazino[2,3-k]phenanthridine-5-carbonitrile
CID 167064179

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-4-[4-(6-phenyl-[1,2,5]thiadiazolo[3,4-k]phenanthridin-4-yl)phenyl]benzonitrile;2,3,5,6-tetrafluoro-4-[4-(6-phenyl-[1,2,5]thiadiazolo[3,4-k]phenanthridin-4-yl)phenyl]benzonitrile;2,3,5-trifluoro-4-[4-(6-phenyl-[1,2,5]thiadiazolo[3,4-k]phenanthridin-4-yl)phenyl]benzonitrile;2,3,6-trifluoro-4-[4-(6-phenyl-[1,2,5]thiadiazolo[3,4-k]phenanthridin-4-yl)phenyl]benzonitrile?
The IUPAC name of 2,6-difluoro-4-[4-(6-phenyl-[1,2,5]thiadiazolo[3,4-k]phenanthridin-4-yl)phenyl]benzonitrile;2,3,5,6-tetrafluoro-4-[4-(6-phenyl-[1,2,5]thiadiazolo[3,4-k]phenanthridin-4-yl)phenyl]benzonitrile;2,3,5-trifluoro-4-[4-(6-phenyl-[1,2,5]thiadiazolo[3,4-k]phenanthridin-4-yl)phenyl]benzonitrile;2,3,6-trifluoro-4-[4-(6-phenyl-[1,2,5]thiadiazolo[3,4-k]phenanthridin-4-yl)phenyl]benzonitrile (CID 167553498) is 2,6-difluoro-4-[4-(6-phenyl-[1,2,5]thiadiazolo[3,4-k]phenanthridin-4-yl)phenyl]benzonitrile;2,3,5,6-tetrafluoro-4-[4-(6-phenyl-[1,2,5]thiadiazolo[3,4-k]phenanthridin-4-yl)phenyl]benzonitrile;2,3,5-trifluoro-4-[4-(6-phenyl-[1,2,5]thiadiazolo[3,4-k]phenanthridin-4-yl)phenyl]benzonitrile;2,3,6-trifluoro-4-[4-(6-phenyl-[1,2,5]thiadiazolo[3,4-k]phenanthridin-4-yl)phenyl]benzonitrile.
What is the SMILES notation for 2,6-difluoro-4-[4-(6-phenyl-[1,2,5]thiadiazolo[3,4-k]phenanthridin-4-yl)phenyl]benzonitrile;2,3,5,6-tetrafluoro-4-[4-(6-phenyl-[1,2,5]thiadiazolo[3,4-k]phenanthridin-4-yl)phenyl]benzonitrile;2,3,5-trifluoro-4-[4-(6-phenyl-[1,2,5]thiadiazolo[3,4-k]phenanthridin-4-yl)phenyl]benzonitrile;2,3,6-trifluoro-4-[4-(6-phenyl-[1,2,5]thiadiazolo[3,4-k]phenanthridin-4-yl)phenyl]benzonitrile?
The canonical SMILES for 2,6-difluoro-4-[4-(6-phenyl-[1,2,5]thiadiazolo[3,4-k]phenanthridin-4-yl)phenyl]benzonitrile;2,3,5,6-tetrafluoro-4-[4-(6-phenyl-[1,2,5]thiadiazolo[3,4-k]phenanthridin-4-yl)phenyl]benzonitrile;2,3,5-trifluoro-4-[4-(6-phenyl-[1,2,5]thiadiazolo[3,4-k]phenanthridin-4-yl)phenyl]benzonitrile;2,3,6-trifluoro-4-[4-(6-phenyl-[1,2,5]thiadiazolo[3,4-k]phenanthridin-4-yl)phenyl]benzonitrile is N#Cc1c(F)c(F)c(-c2ccc(-c3cc4c(-c5ccccc5)nc5ccccc5c4c4nsnc34)cc2)c(F)c1F.N#Cc1c(F)cc(-c2ccc(-c3cc4c(-c5ccccc5)nc5ccccc5c4c4nsnc34)cc2)c(F)c1F.N#Cc1c(F)cc(-c2ccc(-c3cc4c(-c5ccccc5)nc5ccccc5c4c4nsnc34)cc2)cc1F.N#Cc1cc(F)c(-c2ccc(-c3cc4c(-c5ccccc5)nc5ccccc5c4c4nsnc34)cc2)c(F)c1F.
What is the InChIKey of 2,6-difluoro-4-[4-(6-phenyl-[1,2,5]thiadiazolo[3,4-k]phenanthridin-4-yl)phenyl]benzonitrile;2,3,5,6-tetrafluoro-4-[4-(6-phenyl-[1,2,5]thiadiazolo[3,4-k]phenanthridin-4-yl)phenyl]benzonitrile;2,3,5-trifluoro-4-[4-(6-phenyl-[1,2,5]thiadiazolo[3,4-k]phenanthridin-4-yl)phenyl]benzonitrile;2,3,6-trifluoro-4-[4-(6-phenyl-[1,2,5]thiadiazolo[3,4-k]phenanthridin-4-yl)phenyl]benzonitrile?
The InChIKey is CSCOPTJKSJTJNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H14F4N4S.2C32H15F3N4S.C32H16F2N4S/c33-26-22(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;33-24-14-20(16-36)28(34)29(35)26(24)18-12-10-17(11-13-18)22-15-23-27(32-31(22)38-40-39-32)21-8-4-5-9-25(21)37-30(23)19-6-2-1-3-7-19;33-25-15-21(28(34)29(35)24(25)16-36)17-10-12-18(13-11-17)22-14-23-27(32-31(22)38-40-39-32)20-8-4-5-9-26(20)37-30(23)19-6-2-1-3-7-19;33-26-14-21(15-27(34)25(26)17-35)18-10-12-19(13-11-18)23-16-24-29(32-31(23)37-39-38-32)22-8-4-5-9-28(22)36-30(24)20-6-2-1-3-7-20/h1-14H;2*1-15H;1-16H.
What are the key properties of 2,6-difluoro-4-[4-(6-phenyl-[1,2,5]thiadiazolo[3,4-k]phenanthridin-4-yl)phenyl]benzonitrile;2,3,5,6-tetrafluoro-4-[4-(6-phenyl-[1,2,5]thiadiazolo[3,4-k]phenanthridin-4-yl)phenyl]benzonitrile;2,3,5-trifluoro-4-[4-(6-phenyl-[1,2,5]thiadiazolo[3,4-k]phenanthridin-4-yl)phenyl]benzonitrile;2,3,6-trifluoro-4-[4-(6-phenyl-[1,2,5]thiadiazolo[3,4-k]phenanthridin-4-yl)phenyl]benzonitrile?
2,6-difluoro-4-[4-(6-phenyl-[1,2,5]thiadiazolo[3,4-k]phenanthridin-4-yl)phenyl]benzonitrile;2,3,5,6-tetrafluoro-4-[4-(6-phenyl-[1,2,5]thiadiazolo[3,4-k]phenanthridin-4-yl)phenyl]benzonitrile;2,3,5-trifluoro-4-[4-(6-phenyl-[1,2,5]thiadiazolo[3,4-k]phenanthridin-4-yl)phenyl]benzonitrile;2,3,6-trifluoro-4-[4-(6-phenyl-[1,2,5]thiadiazolo[3,4-k]phenanthridin-4-yl)phenyl]benzonitrile has a molecular weight of 2178.24 g/mol, XLogP of 34.73, 12 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-4-[4-(6-phenyl-[1,2,5]thiadiazolo[3,4-k]phenanthridin-4-yl)phenyl]benzonitrile;2,3,5,6-tetrafluoro-4-[4-(6-phenyl-[1,2,5]thiadiazolo[3,4-k]phenanthridin-4-yl)phenyl]benzonitrile;2,3,5-trifluoro-4-[4-(6-phenyl-[1,2,5]thiadiazolo[3,4-k]phenanthridin-4-yl)phenyl]benzonitrile;2,3,6-trifluoro-4-[4-(6-phenyl-[1,2,5]thiadiazolo[3,4-k]phenanthridin-4-yl)phenyl]benzonitrile is sourced from PubChem (CID 167553498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).