2-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]sulfanyl]-7-methylquinoline-8-thiolate;platinum(2+)

C31H25N3PtS2 — CID 176606109

About 2-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]sulfanyl]-7-methylquinoline-8-thiolate;platinum(2+)

2-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]sulfanyl]-7-methylquinoline-8-thiolate;platinum(2+) (PubChem CID 176606109) has the molecular formula C31H25N3PtS2 and a molecular weight of 698.77 g/mol. Its IUPAC name is 2-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]sulfanyl]-7-methylquinoline-8-thiolate;platinum(2+).

Molecular Properties

• Compound Name: 2-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]sulfanyl]-7-methylquinoline-8-thiolate;platinum(2+)
• PubChem CID: 176606109
• Molecular Formula: C31H25N3PtS2
• Molecular Weight: 698.77 g/mol
• Exact Mass: 698.11
• IUPAC Name: 2-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]sulfanyl]-7-methylquinoline-8-thiolate;platinum(2+)
• SMILES: Cc1ccc2ccc(Sc3[c-]c4c(cc3)c3ccccc3n4-c3cc(C(C)(C)C)ccn3)nc2c1[S-].[Pt+2]
• InChI: InChI=1S/C31H26N3S2.Pt/c1-19-9-10-20-11-14-28(33-29(20)30(19)35)36-22-12-13-24-23-7-5-6-8-25(23)34(26(24)18-22)27-17-21(15-16-32-27)31(2,3)4;/h5-17,35H,1-4H3;/q-1;+2/p-1
• InChIKey: LKWSTBGHMPMATL-UHFFFAOYSA-M
• XLogP: 8.19
• TPSA: 30.71 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	698.77
LogP ≤ 5	8.19
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 2-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]sulfanyl]-7-methylquinoline-8-thiolate;platinum(2+)?

The IUPAC name of 2-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]sulfanyl]-7-methylquinoline-8-thiolate;platinum(2+) (CID 176606109) is 2-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]sulfanyl]-7-methylquinoline-8-thiolate;platinum(2+).

What is the SMILES notation for 2-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]sulfanyl]-7-methylquinoline-8-thiolate;platinum(2+)?

The canonical SMILES for 2-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]sulfanyl]-7-methylquinoline-8-thiolate;platinum(2+) is Cc1ccc2ccc(Sc3[c-]c4c(cc3)c3ccccc3n4-c3cc(C(C)(C)C)ccn3)nc2c1[S-].[Pt+2].

What is the InChIKey of 2-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]sulfanyl]-7-methylquinoline-8-thiolate;platinum(2+)?

The InChIKey is LKWSTBGHMPMATL-UHFFFAOYSA-M. The full InChI is InChI=1S/C31H26N3S2.Pt/c1-19-9-10-20-11-14-28(33-29(20)30(19)35)36-22-12-13-24-23-7-5-6-8-25(23)34(26(24)18-22)27-17-21(15-16-32-27)31(2,3)4;/h5-17,35H,1-4H3;/q-1;+2/p-1.

What are the key properties of 2-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]sulfanyl]-7-methylquinoline-8-thiolate;platinum(2+)?

2-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]sulfanyl]-7-methylquinoline-8-thiolate;platinum(2+) has a molecular weight of 698.77 g/mol, XLogP of 8.19, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]sulfanyl]-7-methylquinoline-8-thiolate;platinum(2+) is sourced from PubChem (CID 176606109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).