2-[3-[4-(2,6-dimethyl-4-methylsulfanylphenyl)-3,5-dimethylpyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-fluoro-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[4-(2,6-dimethyl-4-phenylphenyl)-3,5-dimethylpyrazol-1-yl]-5-methylbenzene-2-id-1-yl]oxy-9-(4-fluoro-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[4-(2,6-diphenylphenyl)-3,5-dimethylpyrazol-1-yl]-5-methylbenzene-2-id-1-yl]oxy-9-(4-fluoro-2-pyridinyl)-1H-carbazol-1-ide;4-[1-[3-[[9-(4-fluoro-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-5-methylbenzene-2-id-1-yl]-3,5-dimethylpyrazol-4-yl]-N,N,3,5-tetramethylaniline;tetrakis(palladium(2+))

C166H129F4N17O4Pd4S — CID 160819270

About 2-[3-[4-(2,6-dimethyl-4-methylsulfanylphenyl)-3,5-dimethylpyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-fluoro-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[4-(2,6-dimethyl-4-phenylphenyl)-3,5-dimethylpyrazol-1-yl]-5-methylbenzene-2-id-1-yl]oxy-9-(4-fluoro-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[4-(2,6-diphenylphenyl)-3,5-dimethylpyrazol-1-yl]-5-methylbenzene-2-id-1-yl]oxy-9-(4-fluoro-2-pyridinyl)-1H-carbazol-1-ide;4-[1-[3-[[9-(4-fluoro-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-5-methylbenzene-2-id-1-yl]-3,5-dimethylpyrazol-4-yl]-N,N,3,5-tetramethylaniline;tetrakis(palladium(2+))

2-[3-[4-(2,6-dimethyl-4-methylsulfanylphenyl)-3,5-dimethylpyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-fluoro-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[4-(2,6-dimethyl-4-phenylphenyl)-3,5-dimethylpyrazol-1-yl]-5-methylbenzene-2-id-1-yl]oxy-9-(4-fluoro-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[4-(2,6-diphenylphenyl)-3,5-dimethylpyrazol-1-yl]-5-methylbenzene-2-id-1-yl]oxy-9-(4-fluoro-2-pyridinyl)-1H-carbazol-1-ide;4-[1-[3-[[9-(4-fluoro-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-5-methylbenzene-2-id-1-yl]-3,5-dimethylpyrazol-4-yl]-N,N,3,5-tetramethylaniline;tetrakis(palladium(2+)) (PubChem CID 160819270) has the molecular formula C166H129F4N17O4Pd4S and a molecular weight of 2959.71 g/mol. Its IUPAC name is 2-[3-[4-(2,6-dimethyl-4-methylsulfanylphenyl)-3,5-dimethylpyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-fluoro-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[4-(2,6-dimethyl-4-phenylphenyl)-3,5-dimethylpyrazol-1-yl]-5-methylbenzene-2-id-1-yl]oxy-9-(4-fluoro-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[4-(2,6-diphenylphenyl)-3,5-dimethylpyrazol-1-yl]-5-methylbenzene-2-id-1-yl]oxy-9-(4-fluoro-2-pyridinyl)-1H-carbazol-1-ide;4-[1-[3-[[9-(4-fluoro-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-5-methylbenzene-2-id-1-yl]-3,5-dimethylpyrazol-4-yl]-N,N,3,5-tetramethylaniline;tetrakis(palladium(2+)).

Molecular Properties

• Compound Name: 2-[3-[4-(2,6-dimethyl-4-methylsulfanylphenyl)-3,5-dimethylpyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-fluoro-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[4-(2,6-dimethyl-4-phenylphenyl)-3,5-dimethylpyrazol-1-yl]-5-methylbenzene-2-id-1-yl]oxy-9-(4-fluoro-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[4-(2,6-diphenylphenyl)-3,5-dimethylpyrazol-1-yl]-5-methylbenzene-2-id-1-yl]oxy-9-(4-fluoro-2-pyridinyl)-1H-carbazol-1-ide;4-[1-[3-[[9-(4-fluoro-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-5-methylbenzene-2-id-1-yl]-3,5-dimethylpyrazol-4-yl]-N,N,3,5-tetramethylaniline;tetrakis(palladium(2+))
• PubChem CID: 160819270
• Molecular Formula: C166H129F4N17O4Pd4S
• Molecular Weight: 2959.71 g/mol
• Exact Mass: 2955.62
• IUPAC Name: 2-[3-[4-(2,6-dimethyl-4-methylsulfanylphenyl)-3,5-dimethylpyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-fluoro-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[4-(2,6-dimethyl-4-phenylphenyl)-3,5-dimethylpyrazol-1-yl]-5-methylbenzene-2-id-1-yl]oxy-9-(4-fluoro-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[4-(2,6-diphenylphenyl)-3,5-dimethylpyrazol-1-yl]-5-methylbenzene-2-id-1-yl]oxy-9-(4-fluoro-2-pyridinyl)-1H-carbazol-1-ide;4-[1-[3-[[9-(4-fluoro-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-5-methylbenzene-2-id-1-yl]-3,5-dimethylpyrazol-4-yl]-N,N,3,5-tetramethylaniline;tetrakis(palladium(2+))
• SMILES: CSc1cc(C)c(-c2c(C)nn(-c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4cc(F)ccn4)ccc3)c2C)c(C)c1.Cc1cc(Oc2[c-]c3c(cc2)c2ccccc2n3-c2cc(F)ccn2)[c-]c(-n2nc(C)c(-c3c(-c4ccccc4)cccc3-c3ccccc3)c2C)c1.Cc1cc(Oc2[c-]c3c(cc2)c2ccccc2n3-c2cc(F)ccn2)[c-]c(-n2nc(C)c(-c3c(C)cc(-c4ccccc4)cc3C)c2C)c1.Cc1cc(Oc2[c-]c3c(cc2)c2ccccc2n3-c2cc(F)ccn2)[c-]c(-n2nc(C)c(-c3c(C)cc(N(C)C)cc3C)c2C)c1.[Pd+2].[Pd+2].[Pd+2].[Pd+2]
• InChI: InChI=1S/C47H33FN4O.C43H33FN4O.C39H34FN5O.C37H29FN4OS.4Pd/c1-30-25-36(28-38(26-30)53-37-21-22-42-41-17-10-11-20-43(41)51(44(42)29-37)45-27-35(48)23-24-49-45)52-32(3)46(31(2)50-52)47-39(33-13-6-4-7-14-33)18-12-19-40(47)34-15-8-5-9-16-34;1-26-19-34(48-30(5)43(29(4)46-48)42-27(2)21-32(22-28(42)3)31-11-7-6-8-12-31)24-36(20-26)49-35-15-16-38-37-13-9-10-14-39(37)47(40(38)25-35)41-23-33(44)17-18-45-41;1-23-16-30(45-27(5)39(26(4)42-45)38-24(2)18-29(43(6)7)19-25(38)3)21-32(17-23)46-31-12-13-34-33-10-8-9-11-35(33)44(36(34)22-31)37-20-28(40)14-15-41-37;1-22-17-30(44-5)18-23(2)36(22)37-24(3)40-42(25(37)4)27-9-8-10-28(20-27)43-29-13-14-32-31-11-6-7-12-33(31)41(34(32)21-29)35-19-26(38)15-16-39-35;;;;/h4-27H,1-3H3;6-23H,1-5H3;8-20H,1-7H3;6-19H,1-5H3;;;;/q4*-2;4*+2
• InChIKey: LTLPDANZJDGQDU-UHFFFAOYSA-N
• XLogP: 41.27
• TPSA: 182.72 Ų
• H-Bond Acceptors: 22
• Rotatable Bonds: 25
• Heavy Atoms: 196
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2959.71
LogP ≤ 5	41.27
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-(2,6-dimethyl-4-methylsulfanylphenyl)-3,5-dimethylpyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-fluoro-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[4-(2,6-dimethyl-4-phenylphenyl)-3,5-dimethylpyrazol-1-yl]-5-methylbenzene-2-id-1-yl]oxy-9-(4-fluoro-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[4-(2,6-diphenylphenyl)-3,5-dimethylpyrazol-1-yl]-5-methylbenzene-2-id-1-yl]oxy-9-(4-fluoro-2-pyridinyl)-1H-carbazol-1-ide;4-[1-[3-[[9-(4-fluoro-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-5-methylbenzene-2-id-1-yl]-3,5-dimethylpyrazol-4-yl]-N,N,3,5-tetramethylaniline;tetrakis(palladium(2+))?

The IUPAC name of 2-[3-[4-(2,6-dimethyl-4-methylsulfanylphenyl)-3,5-dimethylpyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-fluoro-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[4-(2,6-dimethyl-4-phenylphenyl)-3,5-dimethylpyrazol-1-yl]-5-methylbenzene-2-id-1-yl]oxy-9-(4-fluoro-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[4-(2,6-diphenylphenyl)-3,5-dimethylpyrazol-1-yl]-5-methylbenzene-2-id-1-yl]oxy-9-(4-fluoro-2-pyridinyl)-1H-carbazol-1-ide;4-[1-[3-[[9-(4-fluoro-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-5-methylbenzene-2-id-1-yl]-3,5-dimethylpyrazol-4-yl]-N,N,3,5-tetramethylaniline;tetrakis(palladium(2+)) (CID 160819270) is 2-[3-[4-(2,6-dimethyl-4-methylsulfanylphenyl)-3,5-dimethylpyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-fluoro-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[4-(2,6-dimethyl-4-phenylphenyl)-3,5-dimethylpyrazol-1-yl]-5-methylbenzene-2-id-1-yl]oxy-9-(4-fluoro-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[4-(2,6-diphenylphenyl)-3,5-dimethylpyrazol-1-yl]-5-methylbenzene-2-id-1-yl]oxy-9-(4-fluoro-2-pyridinyl)-1H-carbazol-1-ide;4-[1-[3-[[9-(4-fluoro-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-5-methylbenzene-2-id-1-yl]-3,5-dimethylpyrazol-4-yl]-N,N,3,5-tetramethylaniline;tetrakis(palladium(2+)).

What is the SMILES notation for 2-[3-[4-(2,6-dimethyl-4-methylsulfanylphenyl)-3,5-dimethylpyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-fluoro-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[4-(2,6-dimethyl-4-phenylphenyl)-3,5-dimethylpyrazol-1-yl]-5-methylbenzene-2-id-1-yl]oxy-9-(4-fluoro-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[4-(2,6-diphenylphenyl)-3,5-dimethylpyrazol-1-yl]-5-methylbenzene-2-id-1-yl]oxy-9-(4-fluoro-2-pyridinyl)-1H-carbazol-1-ide;4-[1-[3-[[9-(4-fluoro-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-5-methylbenzene-2-id-1-yl]-3,5-dimethylpyrazol-4-yl]-N,N,3,5-tetramethylaniline;tetrakis(palladium(2+))?

The canonical SMILES for 2-[3-[4-(2,6-dimethyl-4-methylsulfanylphenyl)-3,5-dimethylpyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-fluoro-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[4-(2,6-dimethyl-4-phenylphenyl)-3,5-dimethylpyrazol-1-yl]-5-methylbenzene-2-id-1-yl]oxy-9-(4-fluoro-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[4-(2,6-diphenylphenyl)-3,5-dimethylpyrazol-1-yl]-5-methylbenzene-2-id-1-yl]oxy-9-(4-fluoro-2-pyridinyl)-1H-carbazol-1-ide;4-[1-[3-[[9-(4-fluoro-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-5-methylbenzene-2-id-1-yl]-3,5-dimethylpyrazol-4-yl]-N,N,3,5-tetramethylaniline;tetrakis(palladium(2+)) is CSc1cc(C)c(-c2c(C)nn(-c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4cc(F)ccn4)ccc3)c2C)c(C)c1.Cc1cc(Oc2[c-]c3c(cc2)c2ccccc2n3-c2cc(F)ccn2)[c-]c(-n2nc(C)c(-c3c(-c4ccccc4)cccc3-c3ccccc3)c2C)c1.Cc1cc(Oc2[c-]c3c(cc2)c2ccccc2n3-c2cc(F)ccn2)[c-]c(-n2nc(C)c(-c3c(C)cc(-c4ccccc4)cc3C)c2C)c1.Cc1cc(Oc2[c-]c3c(cc2)c2ccccc2n3-c2cc(F)ccn2)[c-]c(-n2nc(C)c(-c3c(C)cc(N(C)C)cc3C)c2C)c1.[Pd+2].[Pd+2].[Pd+2].[Pd+2].

What is the InChIKey of 2-[3-[4-(2,6-dimethyl-4-methylsulfanylphenyl)-3,5-dimethylpyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-fluoro-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[4-(2,6-dimethyl-4-phenylphenyl)-3,5-dimethylpyrazol-1-yl]-5-methylbenzene-2-id-1-yl]oxy-9-(4-fluoro-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[4-(2,6-diphenylphenyl)-3,5-dimethylpyrazol-1-yl]-5-methylbenzene-2-id-1-yl]oxy-9-(4-fluoro-2-pyridinyl)-1H-carbazol-1-ide;4-[1-[3-[[9-(4-fluoro-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-5-methylbenzene-2-id-1-yl]-3,5-dimethylpyrazol-4-yl]-N,N,3,5-tetramethylaniline;tetrakis(palladium(2+))?

The InChIKey is LTLPDANZJDGQDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H33FN4O.C43H33FN4O.C39H34FN5O.C37H29FN4OS.4Pd/c1-30-25-36(28-38(26-30)53-37-21-22-42-41-17-10-11-20-43(41)51(44(42)29-37)45-27-35(48)23-24-49-45)52-32(3)46(31(2)50-52)47-39(33-13-6-4-7-14-33)18-12-19-40(47)34-15-8-5-9-16-34;1-26-19-34(48-30(5)43(29(4)46-48)42-27(2)21-32(22-28(42)3)31-11-7-6-8-12-31)24-36(20-26)49-35-15-16-38-37-13-9-10-14-39(37)47(40(38)25-35)41-23-33(44)17-18-45-41;1-23-16-30(45-27(5)39(26(4)42-45)38-24(2)18-29(43(6)7)19-25(38)3)21-32(17-23)46-31-12-13-34-33-10-8-9-11-35(33)44(36(34)22-31)37-20-28(40)14-15-41-37;1-22-17-30(44-5)18-23(2)36(22)37-24(3)40-42(25(37)4)27-9-8-10-28(20-27)43-29-13-14-32-31-11-6-7-12-33(31)41(34(32)21-29)35-19-26(38)15-16-39-35;;;;/h4-27H,1-3H3;6-23H,1-5H3;8-20H,1-7H3;6-19H,1-5H3;;;;/q4*-2;4*+2.

What are the key properties of 2-[3-[4-(2,6-dimethyl-4-methylsulfanylphenyl)-3,5-dimethylpyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-fluoro-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[4-(2,6-dimethyl-4-phenylphenyl)-3,5-dimethylpyrazol-1-yl]-5-methylbenzene-2-id-1-yl]oxy-9-(4-fluoro-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[4-(2,6-diphenylphenyl)-3,5-dimethylpyrazol-1-yl]-5-methylbenzene-2-id-1-yl]oxy-9-(4-fluoro-2-pyridinyl)-1H-carbazol-1-ide;4-[1-[3-[[9-(4-fluoro-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-5-methylbenzene-2-id-1-yl]-3,5-dimethylpyrazol-4-yl]-N,N,3,5-tetramethylaniline;tetrakis(palladium(2+))?

2-[3-[4-(2,6-dimethyl-4-methylsulfanylphenyl)-3,5-dimethylpyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-fluoro-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[4-(2,6-dimethyl-4-phenylphenyl)-3,5-dimethylpyrazol-1-yl]-5-methylbenzene-2-id-1-yl]oxy-9-(4-fluoro-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[4-(2,6-diphenylphenyl)-3,5-dimethylpyrazol-1-yl]-5-methylbenzene-2-id-1-yl]oxy-9-(4-fluoro-2-pyridinyl)-1H-carbazol-1-ide;4-[1-[3-[[9-(4-fluoro-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-5-methylbenzene-2-id-1-yl]-3,5-dimethylpyrazol-4-yl]-N,N,3,5-tetramethylaniline;tetrakis(palladium(2+)) has a molecular weight of 2959.71 g/mol, XLogP of 41.27, 25 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[4-(2,6-dimethyl-4-methylsulfanylphenyl)-3,5-dimethylpyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-fluoro-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[4-(2,6-dimethyl-4-phenylphenyl)-3,5-dimethylpyrazol-1-yl]-5-methylbenzene-2-id-1-yl]oxy-9-(4-fluoro-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[4-(2,6-diphenylphenyl)-3,5-dimethylpyrazol-1-yl]-5-methylbenzene-2-id-1-yl]oxy-9-(4-fluoro-2-pyridinyl)-1H-carbazol-1-ide;4-[1-[3-[[9-(4-fluoro-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-5-methylbenzene-2-id-1-yl]-3,5-dimethylpyrazol-4-yl]-N,N,3,5-tetramethylaniline;tetrakis(palladium(2+)) is sourced from PubChem (CID 160819270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).