platinum;3-[[9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]quinoxalin-5-ol

C28H21N4O2Pt- — CID 176606556

About platinum;3-[[9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]quinoxalin-5-ol

platinum;3-[[9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]quinoxalin-5-ol (PubChem CID 176606556) has the molecular formula C28H21N4O2Pt- and a molecular weight of 640.58 g/mol. Its IUPAC name is platinum;3-[[9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]quinoxalin-5-ol.

Molecular Properties

• Compound Name: platinum;3-[[9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]quinoxalin-5-ol
• PubChem CID: 176606556
• Molecular Formula: C28H21N4O2Pt-
• Molecular Weight: 640.58 g/mol
• Exact Mass: 640.13
• IUPAC Name: platinum;3-[[9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]quinoxalin-5-ol
• SMILES: CC(C)c1ccnc(-n2c3[c-]c(Oc4cnc5cccc(O)c5n4)ccc3c3ccccc32)c1.[Pt]
• InChI: InChI=1S/C28H21N4O2.Pt/c1-17(2)18-12-13-29-26(14-18)32-23-8-4-3-6-20(23)21-11-10-19(15-24(21)32)34-27-16-30-22-7-5-9-25(33)28(22)31-27;/h3-14,16-17,33H,1-2H3;/q-1
• InChIKey: KOSFHLCIPYUFDR-UHFFFAOYSA-N
• XLogP: 6.54
• TPSA: 73.06 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	640.58
LogP ≤ 5	6.54
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of platinum;3-[[9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]quinoxalin-5-ol?

The IUPAC name of platinum;3-[[9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]quinoxalin-5-ol (CID 176606556) is platinum;3-[[9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]quinoxalin-5-ol.

What is the SMILES notation for platinum;3-[[9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]quinoxalin-5-ol?

The canonical SMILES for platinum;3-[[9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]quinoxalin-5-ol is CC(C)c1ccnc(-n2c3[c-]c(Oc4cnc5cccc(O)c5n4)ccc3c3ccccc32)c1.[Pt].

What is the InChIKey of platinum;3-[[9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]quinoxalin-5-ol?

The InChIKey is KOSFHLCIPYUFDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21N4O2.Pt/c1-17(2)18-12-13-29-26(14-18)32-23-8-4-3-6-20(23)21-11-10-19(15-24(21)32)34-27-16-30-22-7-5-9-25(33)28(22)31-27;/h3-14,16-17,33H,1-2H3;/q-1;.

What are the key properties of platinum;3-[[9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]quinoxalin-5-ol?

platinum;3-[[9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]quinoxalin-5-ol has a molecular weight of 640.58 g/mol, XLogP of 6.54, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for platinum;3-[[9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]quinoxalin-5-ol is sourced from PubChem (CID 176606556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).