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

C172H143N16O4Pd4S-3 — CID 158046705

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

4-[3,5-dimethyl-1-[3-methyl-5-[[9-(3-methylbenzene-6-id-1-yl)-1H-carbazol-1-id-2-yl]oxy]benzene-6-id-1-yl]pyrazol-4-yl]-N,N,3,5-tetramethylaniline;2-[3-[4-(2,6-dimethyl-4-methylsulfanylphenyl)-3,5-dimethylpyrazol-1-yl]-5-methylbenzene-2-id-1-yl]oxy-9-(4-methyl-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-methyl-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-methyl-2-pyridinyl)-1H-carbazol-1-ide;palladium;tris(palladium(2+)) (PubChem CID 158046705) has the molecular formula C172H143N16O4Pd4S-3 and a molecular weight of 2955.89 g/mol. Its IUPAC name is 4-[3,5-dimethyl-1-[3-methyl-5-[[9-(3-methylbenzene-6-id-1-yl)-1H-carbazol-1-id-2-yl]oxy]benzene-6-id-1-yl]pyrazol-4-yl]-N,N,3,5-tetramethylaniline;2-[3-[4-(2,6-dimethyl-4-methylsulfanylphenyl)-3,5-dimethylpyrazol-1-yl]-5-methylbenzene-2-id-1-yl]oxy-9-(4-methyl-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-methyl-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-methyl-2-pyridinyl)-1H-carbazol-1-ide;palladium;tris(palladium(2+)).

Molecular Properties

• Compound Name: 4-[3,5-dimethyl-1-[3-methyl-5-[[9-(3-methylbenzene-6-id-1-yl)-1H-carbazol-1-id-2-yl]oxy]benzene-6-id-1-yl]pyrazol-4-yl]-N,N,3,5-tetramethylaniline;2-[3-[4-(2,6-dimethyl-4-methylsulfanylphenyl)-3,5-dimethylpyrazol-1-yl]-5-methylbenzene-2-id-1-yl]oxy-9-(4-methyl-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-methyl-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-methyl-2-pyridinyl)-1H-carbazol-1-ide;palladium;tris(palladium(2+))
• PubChem CID: 158046705
• Molecular Formula: C172H143N16O4Pd4S-3
• Molecular Weight: 2955.89 g/mol
• Exact Mass: 2951.74
• IUPAC Name: 4-[3,5-dimethyl-1-[3-methyl-5-[[9-(3-methylbenzene-6-id-1-yl)-1H-carbazol-1-id-2-yl]oxy]benzene-6-id-1-yl]pyrazol-4-yl]-N,N,3,5-tetramethylaniline;2-[3-[4-(2,6-dimethyl-4-methylsulfanylphenyl)-3,5-dimethylpyrazol-1-yl]-5-methylbenzene-2-id-1-yl]oxy-9-(4-methyl-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-methyl-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-methyl-2-pyridinyl)-1H-carbazol-1-ide;palladium;tris(palladium(2+))
• SMILES: CSc1cc(C)c(-c2c(C)nn(-c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4cc(C)ccn4)cc(C)c3)c2C)c(C)c1.Cc1cc(Oc2[c-]c3c(cc2)c2ccccc2n3-c2[c-]ccc(C)c2)[c-]c(-n2nc(C)c(-c3c(C)cc(N(C)C)cc3C)c2C)c1.Cc1cc(Oc2[c-]c3c(cc2)c2ccccc2n3-c2cc(C)ccn2)[c-]c(-n2nc(C)c(-c3c(-c4ccccc4)cccc3-c3ccccc3)c2C)c1.Cc1cc(Oc2[c-]c3c(cc2)c2ccccc2n3-c2cc(C)ccn2)[c-]c(-n2nc(C)c(-c3c(C)cc(-c4ccccc4)cc3C)c2C)c1.[Pd+2].[Pd+2].[Pd+2].[Pd]
• InChI: InChI=1S/C48H36N4O.C44H36N4O.C41H37N4O.C39H34N4OS.4Pd/c1-31-24-25-49-46(28-31)51-44-21-12-11-18-42(44)43-23-22-38(30-45(43)51)53-39-27-32(2)26-37(29-39)52-34(4)47(33(3)50-52)48-40(35-14-7-5-8-15-35)19-13-20-41(48)36-16-9-6-10-17-36;1-27-18-19-45-42(22-27)47-40-15-11-10-14-38(40)39-17-16-36(26-41(39)47)49-37-21-28(2)20-35(25-37)48-32(6)44(31(5)46-48)43-29(3)23-34(24-30(43)4)33-12-8-7-9-13-33;1-25-12-11-13-31(18-25)44-38-15-10-9-14-36(38)37-17-16-34(24-39(37)44)46-35-20-26(2)19-33(23-35)45-30(6)41(29(5)42-45)40-27(3)21-32(43(7)8)22-28(40)4;1-23-14-15-40-37(18-23)42-35-11-9-8-10-33(35)34-13-12-30(22-36(34)42)44-31-17-24(2)16-29(21-31)43-28(6)39(27(5)41-43)38-25(3)19-32(45-7)20-26(38)4;;;;/h5-28H,1-4H3;7-24H,1-6H3;9-12,14-22H,1-8H3;8-20H,1-7H3;;;;/q2*-2;-3;-2;;3*+2
• InChIKey: KELPSQNCFSKHHK-UHFFFAOYSA-N
• XLogP: 42.67
• TPSA: 169.83 Ų
• H-Bond Acceptors: 21
• Rotatable Bonds: 25
• Heavy Atoms: 197
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2955.89
LogP ≤ 5	42.67
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 4-[3,5-dimethyl-1-[3-methyl-5-[[9-(3-methylbenzene-6-id-1-yl)-1H-carbazol-1-id-2-yl]oxy]benzene-6-id-1-yl]pyrazol-4-yl]-N,N,3,5-tetramethylaniline;2-[3-[4-(2,6-dimethyl-4-methylsulfanylphenyl)-3,5-dimethylpyrazol-1-yl]-5-methylbenzene-2-id-1-yl]oxy-9-(4-methyl-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-methyl-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-methyl-2-pyridinyl)-1H-carbazol-1-ide;palladium;tris(palladium(2+)) (CID 158046705) is 4-[3,5-dimethyl-1-[3-methyl-5-[[9-(3-methylbenzene-6-id-1-yl)-1H-carbazol-1-id-2-yl]oxy]benzene-6-id-1-yl]pyrazol-4-yl]-N,N,3,5-tetramethylaniline;2-[3-[4-(2,6-dimethyl-4-methylsulfanylphenyl)-3,5-dimethylpyrazol-1-yl]-5-methylbenzene-2-id-1-yl]oxy-9-(4-methyl-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-methyl-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-methyl-2-pyridinyl)-1H-carbazol-1-ide;palladium;tris(palladium(2+)).

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

The canonical SMILES for 4-[3,5-dimethyl-1-[3-methyl-5-[[9-(3-methylbenzene-6-id-1-yl)-1H-carbazol-1-id-2-yl]oxy]benzene-6-id-1-yl]pyrazol-4-yl]-N,N,3,5-tetramethylaniline;2-[3-[4-(2,6-dimethyl-4-methylsulfanylphenyl)-3,5-dimethylpyrazol-1-yl]-5-methylbenzene-2-id-1-yl]oxy-9-(4-methyl-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-methyl-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-methyl-2-pyridinyl)-1H-carbazol-1-ide;palladium;tris(palladium(2+)) is CSc1cc(C)c(-c2c(C)nn(-c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4cc(C)ccn4)cc(C)c3)c2C)c(C)c1.Cc1cc(Oc2[c-]c3c(cc2)c2ccccc2n3-c2[c-]ccc(C)c2)[c-]c(-n2nc(C)c(-c3c(C)cc(N(C)C)cc3C)c2C)c1.Cc1cc(Oc2[c-]c3c(cc2)c2ccccc2n3-c2cc(C)ccn2)[c-]c(-n2nc(C)c(-c3c(-c4ccccc4)cccc3-c3ccccc3)c2C)c1.Cc1cc(Oc2[c-]c3c(cc2)c2ccccc2n3-c2cc(C)ccn2)[c-]c(-n2nc(C)c(-c3c(C)cc(-c4ccccc4)cc3C)c2C)c1.[Pd+2].[Pd+2].[Pd+2].[Pd].

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

The InChIKey is KELPSQNCFSKHHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H36N4O.C44H36N4O.C41H37N4O.C39H34N4OS.4Pd/c1-31-24-25-49-46(28-31)51-44-21-12-11-18-42(44)43-23-22-38(30-45(43)51)53-39-27-32(2)26-37(29-39)52-34(4)47(33(3)50-52)48-40(35-14-7-5-8-15-35)19-13-20-41(48)36-16-9-6-10-17-36;1-27-18-19-45-42(22-27)47-40-15-11-10-14-38(40)39-17-16-36(26-41(39)47)49-37-21-28(2)20-35(25-37)48-32(6)44(31(5)46-48)43-29(3)23-34(24-30(43)4)33-12-8-7-9-13-33;1-25-12-11-13-31(18-25)44-38-15-10-9-14-36(38)37-17-16-34(24-39(37)44)46-35-20-26(2)19-33(23-35)45-30(6)41(29(5)42-45)40-27(3)21-32(43(7)8)22-28(40)4;1-23-14-15-40-37(18-23)42-35-11-9-8-10-33(35)34-13-12-30(22-36(34)42)44-31-17-24(2)16-29(21-31)43-28(6)39(27(5)41-43)38-25(3)19-32(45-7)20-26(38)4;;;;/h5-28H,1-4H3;7-24H,1-6H3;9-12,14-22H,1-8H3;8-20H,1-7H3;;;;/q2*-2;-3;-2;;3*+2.

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

4-[3,5-dimethyl-1-[3-methyl-5-[[9-(3-methylbenzene-6-id-1-yl)-1H-carbazol-1-id-2-yl]oxy]benzene-6-id-1-yl]pyrazol-4-yl]-N,N,3,5-tetramethylaniline;2-[3-[4-(2,6-dimethyl-4-methylsulfanylphenyl)-3,5-dimethylpyrazol-1-yl]-5-methylbenzene-2-id-1-yl]oxy-9-(4-methyl-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-methyl-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-methyl-2-pyridinyl)-1H-carbazol-1-ide;palladium;tris(palladium(2+)) has a molecular weight of 2955.89 g/mol, XLogP of 42.67, 25 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3,5-dimethyl-1-[3-methyl-5-[[9-(3-methylbenzene-6-id-1-yl)-1H-carbazol-1-id-2-yl]oxy]benzene-6-id-1-yl]pyrazol-4-yl]-N,N,3,5-tetramethylaniline;2-[3-[4-(2,6-dimethyl-4-methylsulfanylphenyl)-3,5-dimethylpyrazol-1-yl]-5-methylbenzene-2-id-1-yl]oxy-9-(4-methyl-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-methyl-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-methyl-2-pyridinyl)-1H-carbazol-1-ide;palladium;tris(palladium(2+)) is sourced from PubChem (CID 158046705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).