2-[2-[9-(4,5-dideuterio-2-pyridinyl)-1H-carbazol-1-id-2-yl]propan-2-yl]quinolin-8-ol;platinum

C29H22N3OPt- — CID 176606465

About 2-[2-[9-(4,5-dideuterio-2-pyridinyl)-1H-carbazol-1-id-2-yl]propan-2-yl]quinolin-8-ol;platinum

2-[2-[9-(4,5-dideuterio-2-pyridinyl)-1H-carbazol-1-id-2-yl]propan-2-yl]quinolin-8-ol;platinum (PubChem CID 176606465) has the molecular formula C29H22N3OPt- and a molecular weight of 625.61 g/mol. Its IUPAC name is 2-[2-[9-(4,5-dideuterio-2-pyridinyl)-1H-carbazol-1-id-2-yl]propan-2-yl]quinolin-8-ol;platinum.

Molecular Properties

• Compound Name: 2-[2-[9-(4,5-dideuterio-2-pyridinyl)-1H-carbazol-1-id-2-yl]propan-2-yl]quinolin-8-ol;platinum
• PubChem CID: 176606465
• Molecular Formula: C29H22N3OPt-
• Molecular Weight: 625.61 g/mol
• Exact Mass: 625.15
• IUPAC Name: 2-[2-[9-(4,5-dideuterio-2-pyridinyl)-1H-carbazol-1-id-2-yl]propan-2-yl]quinolin-8-ol;platinum
• SMILES: [2H]c1cnc(-n2c3[c-]c(C(C)(C)c4ccc5cccc(O)c5n4)ccc3c3ccccc32)cc1[2H].[Pt]
• InChI: InChI=1S/C29H22N3O.Pt/c1-29(2,26-16-13-19-8-7-11-25(33)28(19)31-26)20-14-15-22-21-9-3-4-10-23(21)32(24(22)18-20)27-12-5-6-17-30-27;/h3-17,33H,1-2H3;/q-1;/i5D,6D
• InChIKey: NSOAAYIHOVFUCJ-CFFLFGFNSA-N
• XLogP: 6.56
• TPSA: 50.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	625.61
LogP ≤ 5	6.56
H-Bond Donors ≤ 5	1
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 2-[2-[9-(4,5-dideuterio-2-pyridinyl)-1H-carbazol-1-id-2-yl]propan-2-yl]quinolin-8-ol;platinum?

The IUPAC name of 2-[2-[9-(4,5-dideuterio-2-pyridinyl)-1H-carbazol-1-id-2-yl]propan-2-yl]quinolin-8-ol;platinum (CID 176606465) is 2-[2-[9-(4,5-dideuterio-2-pyridinyl)-1H-carbazol-1-id-2-yl]propan-2-yl]quinolin-8-ol;platinum.

What is the SMILES notation for 2-[2-[9-(4,5-dideuterio-2-pyridinyl)-1H-carbazol-1-id-2-yl]propan-2-yl]quinolin-8-ol;platinum?

The canonical SMILES for 2-[2-[9-(4,5-dideuterio-2-pyridinyl)-1H-carbazol-1-id-2-yl]propan-2-yl]quinolin-8-ol;platinum is [2H]c1cnc(-n2c3[c-]c(C(C)(C)c4ccc5cccc(O)c5n4)ccc3c3ccccc32)cc1[2H].[Pt].

What is the InChIKey of 2-[2-[9-(4,5-dideuterio-2-pyridinyl)-1H-carbazol-1-id-2-yl]propan-2-yl]quinolin-8-ol;platinum?

The InChIKey is NSOAAYIHOVFUCJ-CFFLFGFNSA-N. The full InChI is InChI=1S/C29H22N3O.Pt/c1-29(2,26-16-13-19-8-7-11-25(33)28(19)31-26)20-14-15-22-21-9-3-4-10-23(21)32(24(22)18-20)27-12-5-6-17-30-27;/h3-17,33H,1-2H3;/q-1;/i5D,6D;.

What are the key properties of 2-[2-[9-(4,5-dideuterio-2-pyridinyl)-1H-carbazol-1-id-2-yl]propan-2-yl]quinolin-8-ol;platinum?

2-[2-[9-(4,5-dideuterio-2-pyridinyl)-1H-carbazol-1-id-2-yl]propan-2-yl]quinolin-8-ol;platinum has a molecular weight of 625.61 g/mol, XLogP of 6.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[9-(4,5-dideuterio-2-pyridinyl)-1H-carbazol-1-id-2-yl]propan-2-yl]quinolin-8-ol;platinum is sourced from PubChem (CID 176606465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).