9-[3-(10,10-dimethyl-9-pyridin-2-ylanthracen-9-yl)benzene-2-id-1-yl]-2-(3-methyl-2H-imidazol-2-id-1-yl)-1H-carbazol-1-ide;2-(3-methyl-2H-imidazol-2-id-1-yl)-9-[3-(2-pyridin-2-ylpropan-2-yl)benzene-2-id-1-yl]-1H-carbazol-1-ide;2-(3-methyl-2H-imidazol-2-id-1-yl)-9-[3-(2,2,4,4-tetramethyl-3-pyridin-2-ylpentan-3-yl)benzene-2-id-1-yl]-1H-carbazol-1-ide;tris(palladium)

C109H95N12Pd3-9 — CID 160541288

About 9-[3-(10,10-dimethyl-9-pyridin-2-ylanthracen-9-yl)benzene-2-id-1-yl]-2-(3-methyl-2H-imidazol-2-id-1-yl)-1H-carbazol-1-ide;2-(3-methyl-2H-imidazol-2-id-1-yl)-9-[3-(2-pyridin-2-ylpropan-2-yl)benzene-2-id-1-yl]-1H-carbazol-1-ide;2-(3-methyl-2H-imidazol-2-id-1-yl)-9-[3-(2,2,4,4-tetramethyl-3-pyridin-2-ylpentan-3-yl)benzene-2-id-1-yl]-1H-carbazol-1-ide;tris(palladium)

9-[3-(10,10-dimethyl-9-pyridin-2-ylanthracen-9-yl)benzene-2-id-1-yl]-2-(3-methyl-2H-imidazol-2-id-1-yl)-1H-carbazol-1-ide;2-(3-methyl-2H-imidazol-2-id-1-yl)-9-[3-(2-pyridin-2-ylpropan-2-yl)benzene-2-id-1-yl]-1H-carbazol-1-ide;2-(3-methyl-2H-imidazol-2-id-1-yl)-9-[3-(2,2,4,4-tetramethyl-3-pyridin-2-ylpentan-3-yl)benzene-2-id-1-yl]-1H-carbazol-1-ide;tris(palladium) (PubChem CID 160541288) has the molecular formula C109H95N12Pd3-9 and a molecular weight of 1892.30 g/mol. Its IUPAC name is 9-[3-(10,10-dimethyl-9-pyridin-2-ylanthracen-9-yl)benzene-2-id-1-yl]-2-(3-methyl-2H-imidazol-2-id-1-yl)-1H-carbazol-1-ide;2-(3-methyl-2H-imidazol-2-id-1-yl)-9-[3-(2-pyridin-2-ylpropan-2-yl)benzene-2-id-1-yl]-1H-carbazol-1-ide;2-(3-methyl-2H-imidazol-2-id-1-yl)-9-[3-(2,2,4,4-tetramethyl-3-pyridin-2-ylpentan-3-yl)benzene-2-id-1-yl]-1H-carbazol-1-ide;tris(palladium).

Molecular Properties

• Compound Name: 9-[3-(10,10-dimethyl-9-pyridin-2-ylanthracen-9-yl)benzene-2-id-1-yl]-2-(3-methyl-2H-imidazol-2-id-1-yl)-1H-carbazol-1-ide;2-(3-methyl-2H-imidazol-2-id-1-yl)-9-[3-(2-pyridin-2-ylpropan-2-yl)benzene-2-id-1-yl]-1H-carbazol-1-ide;2-(3-methyl-2H-imidazol-2-id-1-yl)-9-[3-(2,2,4,4-tetramethyl-3-pyridin-2-ylpentan-3-yl)benzene-2-id-1-yl]-1H-carbazol-1-ide;tris(palladium)
• PubChem CID: 160541288
• Molecular Formula: C109H95N12Pd3-9
• Molecular Weight: 1892.30 g/mol
• Exact Mass: 1889.50
• IUPAC Name: 9-[3-(10,10-dimethyl-9-pyridin-2-ylanthracen-9-yl)benzene-2-id-1-yl]-2-(3-methyl-2H-imidazol-2-id-1-yl)-1H-carbazol-1-ide;2-(3-methyl-2H-imidazol-2-id-1-yl)-9-[3-(2-pyridin-2-ylpropan-2-yl)benzene-2-id-1-yl]-1H-carbazol-1-ide;2-(3-methyl-2H-imidazol-2-id-1-yl)-9-[3-(2,2,4,4-tetramethyl-3-pyridin-2-ylpentan-3-yl)benzene-2-id-1-yl]-1H-carbazol-1-ide;tris(palladium)
• SMILES: CN1C=CN(c2[c-]c3c(cc2)c2ccccc2n3-c2[c-]c(C(C)(C)c3ccccn3)ccc2)[CH-]1.CN1C=CN(c2[c-]c3c(cc2)c2ccccc2n3-c2[c-]c(C(c3ccccn3)(C(C)(C)C)C(C)(C)C)ccc2)[CH-]1.CN1C=CN(c2[c-]c3c(cc2)c2ccccc2n3-c2[c-]c(C3(c4ccccn4)c4ccccc4C(C)(C)c4ccccc43)ccc2)[CH-]1.[Pd].[Pd].[Pd]
• InChI: InChI=1S/C43H33N4.C36H37N4.C30H25N4.3Pd/c1-42(2)35-16-5-7-18-37(35)43(41-21-10-11-24-44-41,38-19-8-6-17-36(38)42)30-13-12-14-32(27-30)47-39-20-9-4-15-33(39)34-23-22-31(28-40(34)47)46-26-25-45(3)29-46;1-34(2,3)36(35(4,5)6,33-17-10-11-20-37-33)26-13-12-14-28(23-26)40-31-16-9-8-15-29(31)30-19-18-27(24-32(30)40)39-22-21-38(7)25-39;1-30(2,29-13-6-7-16-31-29)22-9-8-10-24(19-22)34-27-12-5-4-11-25(27)26-15-14-23(20-28(26)34)33-18-17-32(3)21-33;;;/h4-26,29H,1-3H3;8-22,25H,1-7H3;4-18,21H,1-3H3;;;/q3*-3
• InChIKey: XFMLBJIUSTUAOY-UHFFFAOYSA-N
• XLogP: 24.08
• TPSA: 72.90 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 12
• Heavy Atoms: 124
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1892.30
LogP ≤ 5	24.08
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 9-[3-(10,10-dimethyl-9-pyridin-2-ylanthracen-9-yl)benzene-2-id-1-yl]-2-(3-methyl-2H-imidazol-2-id-1-yl)-1H-carbazol-1-ide;2-(3-methyl-2H-imidazol-2-id-1-yl)-9-[3-(2-pyridin-2-ylpropan-2-yl)benzene-2-id-1-yl]-1H-carbazol-1-ide;2-(3-methyl-2H-imidazol-2-id-1-yl)-9-[3-(2,2,4,4-tetramethyl-3-pyridin-2-ylpentan-3-yl)benzene-2-id-1-yl]-1H-carbazol-1-ide;tris(palladium)?

The IUPAC name of 9-[3-(10,10-dimethyl-9-pyridin-2-ylanthracen-9-yl)benzene-2-id-1-yl]-2-(3-methyl-2H-imidazol-2-id-1-yl)-1H-carbazol-1-ide;2-(3-methyl-2H-imidazol-2-id-1-yl)-9-[3-(2-pyridin-2-ylpropan-2-yl)benzene-2-id-1-yl]-1H-carbazol-1-ide;2-(3-methyl-2H-imidazol-2-id-1-yl)-9-[3-(2,2,4,4-tetramethyl-3-pyridin-2-ylpentan-3-yl)benzene-2-id-1-yl]-1H-carbazol-1-ide;tris(palladium) (CID 160541288) is 9-[3-(10,10-dimethyl-9-pyridin-2-ylanthracen-9-yl)benzene-2-id-1-yl]-2-(3-methyl-2H-imidazol-2-id-1-yl)-1H-carbazol-1-ide;2-(3-methyl-2H-imidazol-2-id-1-yl)-9-[3-(2-pyridin-2-ylpropan-2-yl)benzene-2-id-1-yl]-1H-carbazol-1-ide;2-(3-methyl-2H-imidazol-2-id-1-yl)-9-[3-(2,2,4,4-tetramethyl-3-pyridin-2-ylpentan-3-yl)benzene-2-id-1-yl]-1H-carbazol-1-ide;tris(palladium).

What is the SMILES notation for 9-[3-(10,10-dimethyl-9-pyridin-2-ylanthracen-9-yl)benzene-2-id-1-yl]-2-(3-methyl-2H-imidazol-2-id-1-yl)-1H-carbazol-1-ide;2-(3-methyl-2H-imidazol-2-id-1-yl)-9-[3-(2-pyridin-2-ylpropan-2-yl)benzene-2-id-1-yl]-1H-carbazol-1-ide;2-(3-methyl-2H-imidazol-2-id-1-yl)-9-[3-(2,2,4,4-tetramethyl-3-pyridin-2-ylpentan-3-yl)benzene-2-id-1-yl]-1H-carbazol-1-ide;tris(palladium)?

The canonical SMILES for 9-[3-(10,10-dimethyl-9-pyridin-2-ylanthracen-9-yl)benzene-2-id-1-yl]-2-(3-methyl-2H-imidazol-2-id-1-yl)-1H-carbazol-1-ide;2-(3-methyl-2H-imidazol-2-id-1-yl)-9-[3-(2-pyridin-2-ylpropan-2-yl)benzene-2-id-1-yl]-1H-carbazol-1-ide;2-(3-methyl-2H-imidazol-2-id-1-yl)-9-[3-(2,2,4,4-tetramethyl-3-pyridin-2-ylpentan-3-yl)benzene-2-id-1-yl]-1H-carbazol-1-ide;tris(palladium) is CN1C=CN(c2[c-]c3c(cc2)c2ccccc2n3-c2[c-]c(C(C)(C)c3ccccn3)ccc2)[CH-]1.CN1C=CN(c2[c-]c3c(cc2)c2ccccc2n3-c2[c-]c(C(c3ccccn3)(C(C)(C)C)C(C)(C)C)ccc2)[CH-]1.CN1C=CN(c2[c-]c3c(cc2)c2ccccc2n3-c2[c-]c(C3(c4ccccn4)c4ccccc4C(C)(C)c4ccccc43)ccc2)[CH-]1.[Pd].[Pd].[Pd].

What is the InChIKey of 9-[3-(10,10-dimethyl-9-pyridin-2-ylanthracen-9-yl)benzene-2-id-1-yl]-2-(3-methyl-2H-imidazol-2-id-1-yl)-1H-carbazol-1-ide;2-(3-methyl-2H-imidazol-2-id-1-yl)-9-[3-(2-pyridin-2-ylpropan-2-yl)benzene-2-id-1-yl]-1H-carbazol-1-ide;2-(3-methyl-2H-imidazol-2-id-1-yl)-9-[3-(2,2,4,4-tetramethyl-3-pyridin-2-ylpentan-3-yl)benzene-2-id-1-yl]-1H-carbazol-1-ide;tris(palladium)?

The InChIKey is XFMLBJIUSTUAOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H33N4.C36H37N4.C30H25N4.3Pd/c1-42(2)35-16-5-7-18-37(35)43(41-21-10-11-24-44-41,38-19-8-6-17-36(38)42)30-13-12-14-32(27-30)47-39-20-9-4-15-33(39)34-23-22-31(28-40(34)47)46-26-25-45(3)29-46;1-34(2,3)36(35(4,5)6,33-17-10-11-20-37-33)26-13-12-14-28(23-26)40-31-16-9-8-15-29(31)30-19-18-27(24-32(30)40)39-22-21-38(7)25-39;1-30(2,29-13-6-7-16-31-29)22-9-8-10-24(19-22)34-27-12-5-4-11-25(27)26-15-14-23(20-28(26)34)33-18-17-32(3)21-33;;;/h4-26,29H,1-3H3;8-22,25H,1-7H3;4-18,21H,1-3H3;;;/q3*-3;;;.

What are the key properties of 9-[3-(10,10-dimethyl-9-pyridin-2-ylanthracen-9-yl)benzene-2-id-1-yl]-2-(3-methyl-2H-imidazol-2-id-1-yl)-1H-carbazol-1-ide;2-(3-methyl-2H-imidazol-2-id-1-yl)-9-[3-(2-pyridin-2-ylpropan-2-yl)benzene-2-id-1-yl]-1H-carbazol-1-ide;2-(3-methyl-2H-imidazol-2-id-1-yl)-9-[3-(2,2,4,4-tetramethyl-3-pyridin-2-ylpentan-3-yl)benzene-2-id-1-yl]-1H-carbazol-1-ide;tris(palladium)?

9-[3-(10,10-dimethyl-9-pyridin-2-ylanthracen-9-yl)benzene-2-id-1-yl]-2-(3-methyl-2H-imidazol-2-id-1-yl)-1H-carbazol-1-ide;2-(3-methyl-2H-imidazol-2-id-1-yl)-9-[3-(2-pyridin-2-ylpropan-2-yl)benzene-2-id-1-yl]-1H-carbazol-1-ide;2-(3-methyl-2H-imidazol-2-id-1-yl)-9-[3-(2,2,4,4-tetramethyl-3-pyridin-2-ylpentan-3-yl)benzene-2-id-1-yl]-1H-carbazol-1-ide;tris(palladium) has a molecular weight of 1892.30 g/mol, XLogP of 24.08, 12 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[3-(10,10-dimethyl-9-pyridin-2-ylanthracen-9-yl)benzene-2-id-1-yl]-2-(3-methyl-2H-imidazol-2-id-1-yl)-1H-carbazol-1-ide;2-(3-methyl-2H-imidazol-2-id-1-yl)-9-[3-(2-pyridin-2-ylpropan-2-yl)benzene-2-id-1-yl]-1H-carbazol-1-ide;2-(3-methyl-2H-imidazol-2-id-1-yl)-9-[3-(2,2,4,4-tetramethyl-3-pyridin-2-ylpentan-3-yl)benzene-2-id-1-yl]-1H-carbazol-1-ide;tris(palladium) is sourced from PubChem (CID 160541288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).