2-[3-[3-[9-[3-(3,5-dimethyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]fluoren-9-yl]benzene-2-id-1-yl]-2,2,4,4-tetramethylpentan-3-yl]pyridine;palladium

C44H44N3Pd-3 — CID 169019148

About 2-[3-[3-[9-[3-(3,5-dimethyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]fluoren-9-yl]benzene-2-id-1-yl]-2,2,4,4-tetramethylpentan-3-yl]pyridine;palladium

2-[3-[3-[9-[3-(3,5-dimethyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]fluoren-9-yl]benzene-2-id-1-yl]-2,2,4,4-tetramethylpentan-3-yl]pyridine;palladium (PubChem CID 169019148) has the molecular formula C44H44N3Pd-3 and a molecular weight of 721.28 g/mol. Its IUPAC name is 2-[3-[3-[9-[3-(3,5-dimethyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]fluoren-9-yl]benzene-2-id-1-yl]-2,2,4,4-tetramethylpentan-3-yl]pyridine;palladium.

Molecular Properties

• Compound Name: 2-[3-[3-[9-[3-(3,5-dimethyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]fluoren-9-yl]benzene-2-id-1-yl]-2,2,4,4-tetramethylpentan-3-yl]pyridine;palladium
• PubChem CID: 169019148
• Molecular Formula: C44H44N3Pd-3
• Molecular Weight: 721.28 g/mol
• Exact Mass: 720.26
• IUPAC Name: 2-[3-[3-[9-[3-(3,5-dimethyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]fluoren-9-yl]benzene-2-id-1-yl]-2,2,4,4-tetramethylpentan-3-yl]pyridine;palladium
• SMILES: CC1=CN(C)[CH-]N1c1[c-]c(C2(c3[c-]c(C(c4ccccn4)(C(C)(C)C)C(C)(C)C)ccc3)c3ccccc3-c3ccccc32)ccc1.[Pd]
• InChI: InChI=1S/C44H44N3.Pd/c1-31-29-46(8)30-47(31)35-20-16-18-33(28-35)43(38-23-11-9-21-36(38)37-22-10-12-24-39(37)43)32-17-15-19-34(27-32)44(41(2,3)4,42(5,6)7)40-25-13-14-26-45-40;/h9-26,29-30H,1-8H3;/q-3
• InChIKey: UNOMUWXQIDIGQT-UHFFFAOYSA-N
• XLogP: 10.15
• TPSA: 19.37 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	721.28
LogP ≤ 5	10.15
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-[9-[3-(3,5-dimethyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]fluoren-9-yl]benzene-2-id-1-yl]-2,2,4,4-tetramethylpentan-3-yl]pyridine;palladium?

The IUPAC name of 2-[3-[3-[9-[3-(3,5-dimethyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]fluoren-9-yl]benzene-2-id-1-yl]-2,2,4,4-tetramethylpentan-3-yl]pyridine;palladium (CID 169019148) is 2-[3-[3-[9-[3-(3,5-dimethyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]fluoren-9-yl]benzene-2-id-1-yl]-2,2,4,4-tetramethylpentan-3-yl]pyridine;palladium.

What is the SMILES notation for 2-[3-[3-[9-[3-(3,5-dimethyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]fluoren-9-yl]benzene-2-id-1-yl]-2,2,4,4-tetramethylpentan-3-yl]pyridine;palladium?

The canonical SMILES for 2-[3-[3-[9-[3-(3,5-dimethyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]fluoren-9-yl]benzene-2-id-1-yl]-2,2,4,4-tetramethylpentan-3-yl]pyridine;palladium is CC1=CN(C)[CH-]N1c1[c-]c(C2(c3[c-]c(C(c4ccccn4)(C(C)(C)C)C(C)(C)C)ccc3)c3ccccc3-c3ccccc32)ccc1.[Pd].

What is the InChIKey of 2-[3-[3-[9-[3-(3,5-dimethyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]fluoren-9-yl]benzene-2-id-1-yl]-2,2,4,4-tetramethylpentan-3-yl]pyridine;palladium?

The InChIKey is UNOMUWXQIDIGQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H44N3.Pd/c1-31-29-46(8)30-47(31)35-20-16-18-33(28-35)43(38-23-11-9-21-36(38)37-22-10-12-24-39(37)43)32-17-15-19-34(27-32)44(41(2,3)4,42(5,6)7)40-25-13-14-26-45-40;/h9-26,29-30H,1-8H3;/q-3;.

What are the key properties of 2-[3-[3-[9-[3-(3,5-dimethyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]fluoren-9-yl]benzene-2-id-1-yl]-2,2,4,4-tetramethylpentan-3-yl]pyridine;palladium?

2-[3-[3-[9-[3-(3,5-dimethyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]fluoren-9-yl]benzene-2-id-1-yl]-2,2,4,4-tetramethylpentan-3-yl]pyridine;palladium has a molecular weight of 721.28 g/mol, XLogP of 10.15, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[3-[9-[3-(3,5-dimethyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]fluoren-9-yl]benzene-2-id-1-yl]-2,2,4,4-tetramethylpentan-3-yl]pyridine;palladium is sourced from PubChem (CID 169019148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).