9,9-dimethyl-10-phenyl-3-[3-(2-pyridin-2-ylpropan-2-yl)-2H-imidazol-2-id-1-yl]-4H-acridin-4-ide;platinum

C32H29N4Pt-3 — CID 153445094

About 9,9-dimethyl-10-phenyl-3-[3-(2-pyridin-2-ylpropan-2-yl)-2H-imidazol-2-id-1-yl]-4H-acridin-4-ide;platinum

9,9-dimethyl-10-phenyl-3-[3-(2-pyridin-2-ylpropan-2-yl)-2H-imidazol-2-id-1-yl]-4H-acridin-4-ide;platinum (PubChem CID 153445094) has the molecular formula C32H29N4Pt-3 and a molecular weight of 664.69 g/mol. Its IUPAC name is 9,9-dimethyl-10-phenyl-3-[3-(2-pyridin-2-ylpropan-2-yl)-2H-imidazol-2-id-1-yl]-4H-acridin-4-ide;platinum.

Molecular Properties

• Compound Name: 9,9-dimethyl-10-phenyl-3-[3-(2-pyridin-2-ylpropan-2-yl)-2H-imidazol-2-id-1-yl]-4H-acridin-4-ide;platinum
• PubChem CID: 153445094
• Molecular Formula: C32H29N4Pt-3
• Molecular Weight: 664.69 g/mol
• Exact Mass: 664.21
• IUPAC Name: 9,9-dimethyl-10-phenyl-3-[3-(2-pyridin-2-ylpropan-2-yl)-2H-imidazol-2-id-1-yl]-4H-acridin-4-ide;platinum
• SMILES: CC1(C)c2ccc(N3C=CN(C(C)(C)c4ccccn4)[CH-]3)[c-]c2N(c2[c-]cccc2)c2ccccc21.[Pt]
• InChI: InChI=1S/C32H29N4.Pt/c1-31(2)26-14-8-9-15-28(26)36(24-12-6-5-7-13-24)29-22-25(17-18-27(29)31)34-20-21-35(23-34)32(3,4)30-16-10-11-19-33-30;/h5-12,14-21,23H,1-4H3;/q-3
• InChIKey: CVMGSMMCNSEKLV-UHFFFAOYSA-N
• XLogP: 7.44
• TPSA: 22.61 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	664.69
LogP ≤ 5	7.44
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-10-phenyl-3-[3-(2-pyridin-2-ylpropan-2-yl)-2H-imidazol-2-id-1-yl]-4H-acridin-4-ide;platinum?

The IUPAC name of 9,9-dimethyl-10-phenyl-3-[3-(2-pyridin-2-ylpropan-2-yl)-2H-imidazol-2-id-1-yl]-4H-acridin-4-ide;platinum (CID 153445094) is 9,9-dimethyl-10-phenyl-3-[3-(2-pyridin-2-ylpropan-2-yl)-2H-imidazol-2-id-1-yl]-4H-acridin-4-ide;platinum.

What is the SMILES notation for 9,9-dimethyl-10-phenyl-3-[3-(2-pyridin-2-ylpropan-2-yl)-2H-imidazol-2-id-1-yl]-4H-acridin-4-ide;platinum?

The canonical SMILES for 9,9-dimethyl-10-phenyl-3-[3-(2-pyridin-2-ylpropan-2-yl)-2H-imidazol-2-id-1-yl]-4H-acridin-4-ide;platinum is CC1(C)c2ccc(N3C=CN(C(C)(C)c4ccccn4)[CH-]3)[c-]c2N(c2[c-]cccc2)c2ccccc21.[Pt].

What is the InChIKey of 9,9-dimethyl-10-phenyl-3-[3-(2-pyridin-2-ylpropan-2-yl)-2H-imidazol-2-id-1-yl]-4H-acridin-4-ide;platinum?

The InChIKey is CVMGSMMCNSEKLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H29N4.Pt/c1-31(2)26-14-8-9-15-28(26)36(24-12-6-5-7-13-24)29-22-25(17-18-27(29)31)34-20-21-35(23-34)32(3,4)30-16-10-11-19-33-30;/h5-12,14-21,23H,1-4H3;/q-3;.

What are the key properties of 9,9-dimethyl-10-phenyl-3-[3-(2-pyridin-2-ylpropan-2-yl)-2H-imidazol-2-id-1-yl]-4H-acridin-4-ide;platinum?

9,9-dimethyl-10-phenyl-3-[3-(2-pyridin-2-ylpropan-2-yl)-2H-imidazol-2-id-1-yl]-4H-acridin-4-ide;platinum has a molecular weight of 664.69 g/mol, XLogP of 7.44, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 9,9-dimethyl-10-phenyl-3-[3-(2-pyridin-2-ylpropan-2-yl)-2H-imidazol-2-id-1-yl]-4H-acridin-4-ide;platinum is sourced from PubChem (CID 153445094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).