5-[2-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-2,3,11-triphenylpyrazino[2,3-i]phenanthridine;5-[2-(2,3,4,5,6-pentafluorophenyl)phenyl]-2,3,11-triphenylpyrazino[2,3-i]phenanthridine;2-(2,3,11-triphenylpyrazino[2,3-i]phenanthridin-5-yl)benzonitrile;2,3,11-triphenyl-5-[2-(3,4,5-trifluorophenyl)phenyl]pyrazino[2,3-i]phenanthridine

C177H104F11N13 — CID 165029756

IUPAC5-[2-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-2,3,11-triphenylpyrazino[2,3-i]phenanthridine;5-[2-(2,3,4,5,6-pentafluorophenyl)phenyl]-2,3,11-triphenylpyrazino[2,3-i]phenanthridine;2-(2,3,11-triphenylpyrazino[2,3-i]phenanthridin-5-yl)benzonitrile;2,3,11-triphenyl-5-[2-(3,4,5-trifluorophenyl)phenyl]pyrazino[2,3-i]phenanthridine
SMILESCc1cc(-c2ccccc2-c2nc3ccccc3c3c(-c4ccccc4)cc4nc(-c5ccccc5)c(-c5ccccc5)nc4c23)cc(C(F)(F)F)c1.Fc1c(F)c(F)c(-c2ccccc2-c2nc3ccccc3c3c(-c4ccccc4)cc4nc(-c5ccccc5)c(-c5ccccc5)nc4c23)c(F)c1F.Fc1cc(-c2ccccc2-c2nc3ccccc3c3c(-c4ccccc4)cc4nc(-c5ccccc5)c(-c5ccccc5)nc4c23)cc(F)c1F.N#Cc1ccccc1-c1nc2ccccc2c2c(-c3ccccc3)cc3nc(-c4ccccc4)c(-c4ccccc4)nc3c12
InChIInChI=1S/C47H30F3N3.C45H24F5N3.C45H26F3N3.C40H24N4/c1-29-25-33(27-34(26-29)47(48,49)50)35-21-11-12-22-36(35)45-42-41(37-23-13-14-24-39(37)51-45)38(30-15-5-2-6-16-30)28-40-46(42)53-44(32-19-9-4-10-20-32)43(52-40)31-17-7-3-8-18-31;46-37-35(38(47)40(49)41(50)39(37)48)28-20-10-11-21-29(28)44-36-34(30-22-12-13-23-32(30)51-44)31(25-14-4-1-5-15-25)24-33-45(36)53-43(27-18-8-3-9-19-27)42(52-33)26-16-6-2-7-17-26;46-35-24-30(25-36(47)41(35)48)31-20-10-11-21-32(31)44-40-39(33-22-12-13-23-37(33)49-44)34(27-14-4-1-5-15-27)26-38-45(40)51-43(29-18-8-3-9-19-29)42(50-38)28-16-6-2-7-17-28;41-25-29-20-10-11-21-30(29)39-36-35(31-22-12-13-23-33(31)42-39)32(26-14-4-1-5-15-26)24-34-40(36)44-38(28-18-8-3-9-19-28)37(43-34)27-16-6-2-7-17-27/h2-28H,1H3;1-24H;1-26H;1-24H
InChIKeyMLPHQFBOIPRQLU-UHFFFAOYSA-N
MW2621.85 g/mol
LogP47.31
Rot. Bonds19

About 5-[2-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-2,3,11-triphenylpyrazino[2,3-i]phenanthridine;5-[2-(2,3,4,5,6-pentafluorophenyl)phenyl]-2,3,11-triphenylpyrazino[2,3-i]phenanthridine;2-(2,3,11-triphenylpyrazino[2,3-i]phenanthridin-5-yl)benzonitrile;2,3,11-triphenyl-5-[2-(3,4,5-trifluorophenyl)phenyl]pyrazino[2,3-i]phenanthridine

5-[2-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-2,3,11-triphenylpyrazino[2,3-i]phenanthridine;5-[2-(2,3,4,5,6-pentafluorophenyl)phenyl]-2,3,11-triphenylpyrazino[2,3-i]phenanthridine;2-(2,3,11-triphenylpyrazino[2,3-i]phenanthridin-5-yl)benzonitrile;2,3,11-triphenyl-5-[2-(3,4,5-trifluorophenyl)phenyl]pyrazino[2,3-i]phenanthridine (PubChem CID 165029756) has the molecular formula C177H104F11N13 and a molecular weight of 2621.85 g/mol. Its IUPAC name is 5-[2-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-2,3,11-triphenylpyrazino[2,3-i]phenanthridine;5-[2-(2,3,4,5,6-pentafluorophenyl)phenyl]-2,3,11-triphenylpyrazino[2,3-i]phenanthridine;2-(2,3,11-triphenylpyrazino[2,3-i]phenanthridin-5-yl)benzonitrile;2,3,11-triphenyl-5-[2-(3,4,5-trifluorophenyl)phenyl]pyrazino[2,3-i]phenanthridine.

Molecular Properties

Compound Name5-[2-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-2,3,11-triphenylpyrazino[2,3-i]phenanthridine;5-[2-(2,3,4,5,6-pentafluorophenyl)phenyl]-2,3,11-triphenylpyrazino[2,3-i]phenanthridine;2-(2,3,11-triphenylpyrazino[2,3-i]phenanthridin-5-yl)benzonitrile;2,3,11-triphenyl-5-[2-(3,4,5-trifluorophenyl)phenyl]pyrazino[2,3-i]phenanthridine
PubChem CID165029756
Molecular FormulaC177H104F11N13
Molecular Weight2621.85 g/mol
Exact Mass2619.84
IUPAC Name5-[2-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-2,3,11-triphenylpyrazino[2,3-i]phenanthridine;5-[2-(2,3,4,5,6-pentafluorophenyl)phenyl]-2,3,11-triphenylpyrazino[2,3-i]phenanthridine;2-(2,3,11-triphenylpyrazino[2,3-i]phenanthridin-5-yl)benzonitrile;2,3,11-triphenyl-5-[2-(3,4,5-trifluorophenyl)phenyl]pyrazino[2,3-i]phenanthridine
SMILESCc1cc(-c2ccccc2-c2nc3ccccc3c3c(-c4ccccc4)cc4nc(-c5ccccc5)c(-c5ccccc5)nc4c23)cc(C(F)(F)F)c1.Fc1c(F)c(F)c(-c2ccccc2-c2nc3ccccc3c3c(-c4ccccc4)cc4nc(-c5ccccc5)c(-c5ccccc5)nc4c23)c(F)c1F.Fc1cc(-c2ccccc2-c2nc3ccccc3c3c(-c4ccccc4)cc4nc(-c5ccccc5)c(-c5ccccc5)nc4c23)cc(F)c1F.N#Cc1ccccc1-c1nc2ccccc2c2c(-c3ccccc3)cc3nc(-c4ccccc4)c(-c4ccccc4)nc3c12
InChIInChI=1S/C47H30F3N3.C45H24F5N3.C45H26F3N3.C40H24N4/c1-29-25-33(27-34(26-29)47(48,49)50)35-21-11-12-22-36(35)45-42-41(37-23-13-14-24-39(37)51-45)38(30-15-5-2-6-16-30)28-40-46(42)53-44(32-19-9-4-10-20-32)43(52-40)31-17-7-3-8-18-31;46-37-35(38(47)40(49)41(50)39(37)48)28-20-10-11-21-29(28)44-36-34(30-22-12-13-23-32(30)51-44)31(25-14-4-1-5-15-25)24-33-45(36)53-43(27-18-8-3-9-19-27)42(52-33)26-16-6-2-7-17-26;46-35-24-30(25-36(47)41(35)48)31-20-10-11-21-32(31)44-40-39(33-22-12-13-23-37(33)49-44)34(27-14-4-1-5-15-27)26-38-45(40)51-43(29-18-8-3-9-19-29)42(50-38)28-16-6-2-7-17-28;41-25-29-20-10-11-21-30(29)39-36-35(31-22-12-13-23-33(31)42-39)32(26-14-4-1-5-15-26)24-34-40(36)44-38(28-18-8-3-9-19-28)37(43-34)27-16-6-2-7-17-27/h2-28H,1H3;1-24H;1-26H;1-24H
InChIKeyMLPHQFBOIPRQLU-UHFFFAOYSA-N
XLogP47.31
TPSA178.47 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds19
Heavy Atoms201
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002621.85
LogP ≤ 547.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

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_3', 'substructure': 'N/A'}

Analyze 5-[2-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-2,3,11-triphenylpyrazino[2,3-i]phenanthridine;5-[2-(2,3,4,5,6-pentafluorophenyl)phenyl]-2,3,11-triphenylpyrazino[2,3-i]phenanthridine;2-(2,3,11-triphenylpyrazino[2,3-i]phenanthridin-5-yl)benzonitrile;2,3,11-triphenyl-5-[2-(3,4,5-trifluorophenyl)phenyl]pyrazino[2,3-i]phenanthridine with MolForge

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Related Compounds

4-[2-[2,3-bis(4-cyanophenyl)-11-phenylpyrazino[2,3-i]phenanthridin-5-yl]phenyl]-2,3,5,6-tetrafluorobenzonitrile
CID 167064208
2,3-bis(4-isocyanophenyl)-5-[4-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-11-phenylpyrazino[2,3-i]phenanthridine;3-[4-[2,3-bis(4-isocyanophenyl)-11-phenylpyrazino[2,3-i]phenanthridin-5-yl]phenyl]-5-isocyanobenzonitrile;2,3-bis(4-isocyanophenyl)-11-phenyl-5-[4-(2,3,5,6-tetrafluoro-4-isocyanophenyl)phenyl]pyrazino[2,3-i]phenanthridine
CID 165026444
4-[5-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-3-(4-cyanophenyl)-11-phenylpyrazino[2,3-i]phenanthridin-2-yl]benzonitrile
CID 167063890
2,3-bis(4-isocyanophenyl)-5-[2-(3,4,5-trifluorophenyl)phenyl]pyrazino[2,3-i]phenanthridine-11-carbonitrile
CID 164767970
2,3-diphenyl-5-[3-(3,4,5-trifluorophenyl)phenyl]pyrazino[2,3-i]phenanthridine-11-carbonitrile
CID 167064200
4-[3-(4-isocyanophenyl)-6-methyl-7-[4-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]pyrazino[2,3-k]phenanthridin-2-yl]benzonitrile;4-[3-(4-isocyanophenyl)-6-methyl-7-[4-(3,4,5-trifluorophenyl)phenyl]pyrazino[2,3-k]phenanthridin-2-yl]benzonitrile
CID 165032039
2,3-bis(4-cyanophenyl)-7-[2-(3,4,5-trifluorophenyl)phenyl]pyrazino[2,3-k]phenanthridine-5-carbonitrile
CID 167063903
4-[7-[2-[3,5-bis(trifluoromethyl)phenyl]phenyl]-2-(4-cyanophenyl)-5-phenylpyrazino[2,3-k]phenanthridin-3-yl]benzonitrile
CID 167064009
4-[6-isocyano-3-(4-isocyanophenyl)-7-phenylpyrazino[2,3-k]phenanthridin-2-yl]benzonitrile;4-[3-(4-isocyanophenyl)-6-(2,3,4,5,6-pentafluorophenyl)-7-phenylpyrazino[2,3-k]phenanthridin-2-yl]benzonitrile;4-[3-(4-isocyanophenyl)-7-phenyl-6-(3,4,5-trifluorophenyl)pyrazino[2,3-k]phenanthridin-2-yl]benzonitrile
CID 165097355
7-[3-(2,3,4,5,6-pentafluorophenyl)phenyl]-2,3-diphenylpyrazino[2,3-k]phenanthridine-6-carbonitrile
CID 167064086
2,3-diphenyl-7-[4-(3,4,5-trifluorophenyl)phenyl]pyrazino[2,3-k]phenanthridine-5-carbonitrile
CID 167063941
2,3-bis(4-cyanophenyl)-5-[3-(2,3,4,5,6-pentafluorophenyl)phenyl]pyrazino[2,3-i]phenanthridine-11-carbonitrile
CID 167064099

Frequently Asked Questions

What is the IUPAC name of 5-[2-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-2,3,11-triphenylpyrazino[2,3-i]phenanthridine;5-[2-(2,3,4,5,6-pentafluorophenyl)phenyl]-2,3,11-triphenylpyrazino[2,3-i]phenanthridine;2-(2,3,11-triphenylpyrazino[2,3-i]phenanthridin-5-yl)benzonitrile;2,3,11-triphenyl-5-[2-(3,4,5-trifluorophenyl)phenyl]pyrazino[2,3-i]phenanthridine?
The IUPAC name of 5-[2-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-2,3,11-triphenylpyrazino[2,3-i]phenanthridine;5-[2-(2,3,4,5,6-pentafluorophenyl)phenyl]-2,3,11-triphenylpyrazino[2,3-i]phenanthridine;2-(2,3,11-triphenylpyrazino[2,3-i]phenanthridin-5-yl)benzonitrile;2,3,11-triphenyl-5-[2-(3,4,5-trifluorophenyl)phenyl]pyrazino[2,3-i]phenanthridine (CID 165029756) is 5-[2-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-2,3,11-triphenylpyrazino[2,3-i]phenanthridine;5-[2-(2,3,4,5,6-pentafluorophenyl)phenyl]-2,3,11-triphenylpyrazino[2,3-i]phenanthridine;2-(2,3,11-triphenylpyrazino[2,3-i]phenanthridin-5-yl)benzonitrile;2,3,11-triphenyl-5-[2-(3,4,5-trifluorophenyl)phenyl]pyrazino[2,3-i]phenanthridine.
What is the SMILES notation for 5-[2-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-2,3,11-triphenylpyrazino[2,3-i]phenanthridine;5-[2-(2,3,4,5,6-pentafluorophenyl)phenyl]-2,3,11-triphenylpyrazino[2,3-i]phenanthridine;2-(2,3,11-triphenylpyrazino[2,3-i]phenanthridin-5-yl)benzonitrile;2,3,11-triphenyl-5-[2-(3,4,5-trifluorophenyl)phenyl]pyrazino[2,3-i]phenanthridine?
The canonical SMILES for 5-[2-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-2,3,11-triphenylpyrazino[2,3-i]phenanthridine;5-[2-(2,3,4,5,6-pentafluorophenyl)phenyl]-2,3,11-triphenylpyrazino[2,3-i]phenanthridine;2-(2,3,11-triphenylpyrazino[2,3-i]phenanthridin-5-yl)benzonitrile;2,3,11-triphenyl-5-[2-(3,4,5-trifluorophenyl)phenyl]pyrazino[2,3-i]phenanthridine is Cc1cc(-c2ccccc2-c2nc3ccccc3c3c(-c4ccccc4)cc4nc(-c5ccccc5)c(-c5ccccc5)nc4c23)cc(C(F)(F)F)c1.Fc1c(F)c(F)c(-c2ccccc2-c2nc3ccccc3c3c(-c4ccccc4)cc4nc(-c5ccccc5)c(-c5ccccc5)nc4c23)c(F)c1F.Fc1cc(-c2ccccc2-c2nc3ccccc3c3c(-c4ccccc4)cc4nc(-c5ccccc5)c(-c5ccccc5)nc4c23)cc(F)c1F.N#Cc1ccccc1-c1nc2ccccc2c2c(-c3ccccc3)cc3nc(-c4ccccc4)c(-c4ccccc4)nc3c12.
What is the InChIKey of 5-[2-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-2,3,11-triphenylpyrazino[2,3-i]phenanthridine;5-[2-(2,3,4,5,6-pentafluorophenyl)phenyl]-2,3,11-triphenylpyrazino[2,3-i]phenanthridine;2-(2,3,11-triphenylpyrazino[2,3-i]phenanthridin-5-yl)benzonitrile;2,3,11-triphenyl-5-[2-(3,4,5-trifluorophenyl)phenyl]pyrazino[2,3-i]phenanthridine?
The InChIKey is MLPHQFBOIPRQLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H30F3N3.C45H24F5N3.C45H26F3N3.C40H24N4/c1-29-25-33(27-34(26-29)47(48,49)50)35-21-11-12-22-36(35)45-42-41(37-23-13-14-24-39(37)51-45)38(30-15-5-2-6-16-30)28-40-46(42)53-44(32-19-9-4-10-20-32)43(52-40)31-17-7-3-8-18-31;46-37-35(38(47)40(49)41(50)39(37)48)28-20-10-11-21-29(28)44-36-34(30-22-12-13-23-32(30)51-44)31(25-14-4-1-5-15-25)24-33-45(36)53-43(27-18-8-3-9-19-27)42(52-33)26-16-6-2-7-17-26;46-35-24-30(25-36(47)41(35)48)31-20-10-11-21-32(31)44-40-39(33-22-12-13-23-37(33)49-44)34(27-14-4-1-5-15-27)26-38-45(40)51-43(29-18-8-3-9-19-29)42(50-38)28-16-6-2-7-17-28;41-25-29-20-10-11-21-30(29)39-36-35(31-22-12-13-23-33(31)42-39)32(26-14-4-1-5-15-26)24-34-40(36)44-38(28-18-8-3-9-19-28)37(43-34)27-16-6-2-7-17-27/h2-28H,1H3;1-24H;1-26H;1-24H.
What are the key properties of 5-[2-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-2,3,11-triphenylpyrazino[2,3-i]phenanthridine;5-[2-(2,3,4,5,6-pentafluorophenyl)phenyl]-2,3,11-triphenylpyrazino[2,3-i]phenanthridine;2-(2,3,11-triphenylpyrazino[2,3-i]phenanthridin-5-yl)benzonitrile;2,3,11-triphenyl-5-[2-(3,4,5-trifluorophenyl)phenyl]pyrazino[2,3-i]phenanthridine?
5-[2-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-2,3,11-triphenylpyrazino[2,3-i]phenanthridine;5-[2-(2,3,4,5,6-pentafluorophenyl)phenyl]-2,3,11-triphenylpyrazino[2,3-i]phenanthridine;2-(2,3,11-triphenylpyrazino[2,3-i]phenanthridin-5-yl)benzonitrile;2,3,11-triphenyl-5-[2-(3,4,5-trifluorophenyl)phenyl]pyrazino[2,3-i]phenanthridine has a molecular weight of 2621.85 g/mol, XLogP of 47.31, 19 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-2,3,11-triphenylpyrazino[2,3-i]phenanthridine;5-[2-(2,3,4,5,6-pentafluorophenyl)phenyl]-2,3,11-triphenylpyrazino[2,3-i]phenanthridine;2-(2,3,11-triphenylpyrazino[2,3-i]phenanthridin-5-yl)benzonitrile;2,3,11-triphenyl-5-[2-(3,4,5-trifluorophenyl)phenyl]pyrazino[2,3-i]phenanthridine is sourced from PubChem (CID 165029756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).