2-chloro-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one;palladium;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole;2-(1,3-thiazol-5-yl)-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one;tetrakis(triphenylphosphane)

C120H94BClF6N8O4P4PdS2 — CID 158696488

IUPAC2-chloro-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one;palladium;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole;2-(1,3-thiazol-5-yl)-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one;tetrakis(triphenylphosphane)
SMILESCC1(C)OB(c2cncs2)OC1(C)C.O=c1ccc2cnc3ccc(-c4cncs4)nc3c2n1-c1cccc(C(F)(F)F)c1.O=c1ccc2cnc3ccc(Cl)nc3c2n1-c1cccc(C(F)(F)F)c1.[Pd].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C21H11F3N4OS.C18H9ClF3N3O.4C18H15P.C9H14BNO2S.Pd/c22-21(23,24)13-2-1-3-14(8-13)28-18(29)7-4-12-9-26-16-6-5-15(17-10-25-11-30-17)27-19(16)20(12)28;19-14-6-5-13-16(24-14)17-10(9-23-13)4-7-15(26)25(17)12-3-1-2-11(8-12)18(20,21)22;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-8(2)9(3,4)13-10(12-8)7-5-11-6-14-7;/h1-11H;1-9H;4*1-15H;5-6H,1-4H3;
InChIKeyIGZXODNJRBZQTA-UHFFFAOYSA-N
MW2166.83 g/mol
LogP24.90
Rot. Bonds16

About 2-chloro-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one;palladium;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole;2-(1,3-thiazol-5-yl)-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one;tetrakis(triphenylphosphane)

2-chloro-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one;palladium;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole;2-(1,3-thiazol-5-yl)-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one;tetrakis(triphenylphosphane) (PubChem CID 158696488) has the molecular formula C120H94BClF6N8O4P4PdS2 and a molecular weight of 2166.83 g/mol. Its IUPAC name is 2-chloro-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one;palladium;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole;2-(1,3-thiazol-5-yl)-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one;tetrakis(triphenylphosphane).

Molecular Properties

Compound Name2-chloro-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one;palladium;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole;2-(1,3-thiazol-5-yl)-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one;tetrakis(triphenylphosphane)
PubChem CID158696488
Molecular FormulaC120H94BClF6N8O4P4PdS2
Molecular Weight2166.83 g/mol
Exact Mass2164.45
IUPAC Name2-chloro-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one;palladium;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole;2-(1,3-thiazol-5-yl)-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one;tetrakis(triphenylphosphane)
SMILESCC1(C)OB(c2cncs2)OC1(C)C.O=c1ccc2cnc3ccc(-c4cncs4)nc3c2n1-c1cccc(C(F)(F)F)c1.O=c1ccc2cnc3ccc(Cl)nc3c2n1-c1cccc(C(F)(F)F)c1.[Pd].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C21H11F3N4OS.C18H9ClF3N3O.4C18H15P.C9H14BNO2S.Pd/c22-21(23,24)13-2-1-3-14(8-13)28-18(29)7-4-12-9-26-16-6-5-15(17-10-25-11-30-17)27-19(16)20(12)28;19-14-6-5-13-16(24-14)17-10(9-23-13)4-7-15(26)25(17)12-3-1-2-11(8-12)18(20,21)22;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-8(2)9(3,4)13-10(12-8)7-5-11-6-14-7;/h1-11H;1-9H;4*1-15H;5-6H,1-4H3;
InChIKeyIGZXODNJRBZQTA-UHFFFAOYSA-N
XLogP24.90
TPSA139.80 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds16
Heavy Atoms147
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002166.83
LogP ≤ 524.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 2-chloro-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one;palladium;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole;2-(1,3-thiazol-5-yl)-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one;tetrakis(triphenylphosphane) with MolForge

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Related Compounds

5-Bromo-2-methylsulfanylpyridine;2-chloro-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one;10-(3-methylphenyl)-2-(6-methylsulfanyl-3-pyridinyl)pyrido[3,2-c][1,5]naphthyridin-9-one;2-methylsulfanyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;palladium;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;tetrakis(triphenylphosphane)
CID 158055361
2-Chloro-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one;2-(1-methylpyrazol-4-yl)-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;palladium;tetrakis(triphenylphosphane)
CID 158558292
2-Chloro-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one;2-(2-methylpyrazol-3-yl)-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one;1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;palladium;tetrakis(triphenylphosphane)
CID 160981585

Frequently Asked Questions

What is the IUPAC name of 2-chloro-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one;palladium;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole;2-(1,3-thiazol-5-yl)-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one;tetrakis(triphenylphosphane)?
The IUPAC name of 2-chloro-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one;palladium;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole;2-(1,3-thiazol-5-yl)-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one;tetrakis(triphenylphosphane) (CID 158696488) is 2-chloro-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one;palladium;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole;2-(1,3-thiazol-5-yl)-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one;tetrakis(triphenylphosphane).
What is the SMILES notation for 2-chloro-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one;palladium;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole;2-(1,3-thiazol-5-yl)-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one;tetrakis(triphenylphosphane)?
The canonical SMILES for 2-chloro-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one;palladium;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole;2-(1,3-thiazol-5-yl)-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one;tetrakis(triphenylphosphane) is CC1(C)OB(c2cncs2)OC1(C)C.O=c1ccc2cnc3ccc(-c4cncs4)nc3c2n1-c1cccc(C(F)(F)F)c1.O=c1ccc2cnc3ccc(Cl)nc3c2n1-c1cccc(C(F)(F)F)c1.[Pd].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 2-chloro-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one;palladium;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole;2-(1,3-thiazol-5-yl)-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one;tetrakis(triphenylphosphane)?
The InChIKey is IGZXODNJRBZQTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H11F3N4OS.C18H9ClF3N3O.4C18H15P.C9H14BNO2S.Pd/c22-21(23,24)13-2-1-3-14(8-13)28-18(29)7-4-12-9-26-16-6-5-15(17-10-25-11-30-17)27-19(16)20(12)28;19-14-6-5-13-16(24-14)17-10(9-23-13)4-7-15(26)25(17)12-3-1-2-11(8-12)18(20,21)22;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-8(2)9(3,4)13-10(12-8)7-5-11-6-14-7;/h1-11H;1-9H;4*1-15H;5-6H,1-4H3;.
What are the key properties of 2-chloro-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one;palladium;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole;2-(1,3-thiazol-5-yl)-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one;tetrakis(triphenylphosphane)?
2-chloro-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one;palladium;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole;2-(1,3-thiazol-5-yl)-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one;tetrakis(triphenylphosphane) has a molecular weight of 2166.83 g/mol, XLogP of 24.90, 16 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one;palladium;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole;2-(1,3-thiazol-5-yl)-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one;tetrakis(triphenylphosphane) is sourced from PubChem (CID 158696488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).