5-tert-butyl-2-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]quinoline-8-thiolate;platinum(2+)

C31H25N3OPtS — CID 176606440

About 5-tert-butyl-2-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]quinoline-8-thiolate;platinum(2+)

5-tert-butyl-2-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]quinoline-8-thiolate;platinum(2+) (PubChem CID 176606440) has the molecular formula C31H25N3OPtS and a molecular weight of 682.71 g/mol. Its IUPAC name is 5-tert-butyl-2-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]quinoline-8-thiolate;platinum(2+).

Molecular Properties

• Compound Name: 5-tert-butyl-2-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]quinoline-8-thiolate;platinum(2+)
• PubChem CID: 176606440
• Molecular Formula: C31H25N3OPtS
• Molecular Weight: 682.71 g/mol
• Exact Mass: 682.14
• IUPAC Name: 5-tert-butyl-2-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]quinoline-8-thiolate;platinum(2+)
• SMILES: Cc1ccnc(-n2c3[c-]c(Oc4ccc5c(C(C)(C)C)ccc([S-])c5n4)ccc3c3ccccc32)c1.[Pt+2]
• InChI: InChI=1S/C31H26N3OS.Pt/c1-19-15-16-32-28(17-19)34-25-8-6-5-7-21(25)22-10-9-20(18-26(22)34)35-29-14-11-23-24(31(2,3)4)12-13-27(36)30(23)33-29;/h5-17,36H,1-4H3;/q-1;+2/p-1
• InChIKey: LSOWEDMUOHAKPG-UHFFFAOYSA-M
• XLogP: 7.83
• TPSA: 39.94 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	682.71
LogP ≤ 5	7.83
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]quinoline-8-thiolate;platinum(2+)?

The IUPAC name of 5-tert-butyl-2-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]quinoline-8-thiolate;platinum(2+) (CID 176606440) is 5-tert-butyl-2-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]quinoline-8-thiolate;platinum(2+).

What is the SMILES notation for 5-tert-butyl-2-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]quinoline-8-thiolate;platinum(2+)?

The canonical SMILES for 5-tert-butyl-2-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]quinoline-8-thiolate;platinum(2+) is Cc1ccnc(-n2c3[c-]c(Oc4ccc5c(C(C)(C)C)ccc([S-])c5n4)ccc3c3ccccc32)c1.[Pt+2].

What is the InChIKey of 5-tert-butyl-2-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]quinoline-8-thiolate;platinum(2+)?

The InChIKey is LSOWEDMUOHAKPG-UHFFFAOYSA-M. The full InChI is InChI=1S/C31H26N3OS.Pt/c1-19-15-16-32-28(17-19)34-25-8-6-5-7-21(25)22-10-9-20(18-26(22)34)35-29-14-11-23-24(31(2,3)4)12-13-27(36)30(23)33-29;/h5-17,36H,1-4H3;/q-1;+2/p-1.

What are the key properties of 5-tert-butyl-2-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]quinoline-8-thiolate;platinum(2+)?

5-tert-butyl-2-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]quinoline-8-thiolate;platinum(2+) has a molecular weight of 682.71 g/mol, XLogP of 7.83, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-tert-butyl-2-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]quinoline-8-thiolate;platinum(2+) is sourced from PubChem (CID 176606440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).