2-[3-tert-butyl-5-(3,5-dimethyl-2H-imidazol-3-ium-2-id-1-yl)benzene-6-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum

C32H28N4OPt-2 — CID 155622958

About 2-[3-tert-butyl-5-(3,5-dimethyl-2H-imidazol-3-ium-2-id-1-yl)benzene-6-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum

2-[3-tert-butyl-5-(3,5-dimethyl-2H-imidazol-3-ium-2-id-1-yl)benzene-6-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum (PubChem CID 155622958) has the molecular formula C32H28N4OPt-2 and a molecular weight of 679.68 g/mol. Its IUPAC name is 2-[3-tert-butyl-5-(3,5-dimethyl-2H-imidazol-3-ium-2-id-1-yl)benzene-6-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 2-[3-tert-butyl-5-(3,5-dimethyl-2H-imidazol-3-ium-2-id-1-yl)benzene-6-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum
• PubChem CID: 155622958
• Molecular Formula: C32H28N4OPt-2
• Molecular Weight: 679.68 g/mol
• Exact Mass: 679.19
• IUPAC Name: 2-[3-tert-butyl-5-(3,5-dimethyl-2H-imidazol-3-ium-2-id-1-yl)benzene-6-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum
• SMILES: Cc1c[n+](C)[c-]n1-c1[c-]c(Oc2[c-]c3c(cc2)c2ccccc2n3-c2ccccn2)cc(C(C)(C)C)c1.[Pt]
• InChI: InChI=1S/C32H28N4O.Pt/c1-22-20-34(5)21-35(22)24-16-23(32(2,3)4)17-26(18-24)37-25-13-14-28-27-10-6-7-11-29(27)36(30(28)19-25)31-12-8-9-15-33-31;/h6-17,20H,1-5H3;/q-2
• InChIKey: XQKZMBRYOUVEKL-UHFFFAOYSA-N
• XLogP: 6.59
• TPSA: 35.86 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	679.68
LogP ≤ 5	6.59
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[3-tert-butyl-5-(3,5-dimethyl-2H-imidazol-3-ium-2-id-1-yl)benzene-6-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum?

The IUPAC name of 2-[3-tert-butyl-5-(3,5-dimethyl-2H-imidazol-3-ium-2-id-1-yl)benzene-6-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum (CID 155622958) is 2-[3-tert-butyl-5-(3,5-dimethyl-2H-imidazol-3-ium-2-id-1-yl)benzene-6-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum.

What is the SMILES notation for 2-[3-tert-butyl-5-(3,5-dimethyl-2H-imidazol-3-ium-2-id-1-yl)benzene-6-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum?

The canonical SMILES for 2-[3-tert-butyl-5-(3,5-dimethyl-2H-imidazol-3-ium-2-id-1-yl)benzene-6-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum is Cc1c[n+](C)[c-]n1-c1[c-]c(Oc2[c-]c3c(cc2)c2ccccc2n3-c2ccccn2)cc(C(C)(C)C)c1.[Pt].

What is the InChIKey of 2-[3-tert-butyl-5-(3,5-dimethyl-2H-imidazol-3-ium-2-id-1-yl)benzene-6-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum?

The InChIKey is XQKZMBRYOUVEKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H28N4O.Pt/c1-22-20-34(5)21-35(22)24-16-23(32(2,3)4)17-26(18-24)37-25-13-14-28-27-10-6-7-11-29(27)36(30(28)19-25)31-12-8-9-15-33-31;/h6-17,20H,1-5H3;/q-2;.

What are the key properties of 2-[3-tert-butyl-5-(3,5-dimethyl-2H-imidazol-3-ium-2-id-1-yl)benzene-6-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum?

2-[3-tert-butyl-5-(3,5-dimethyl-2H-imidazol-3-ium-2-id-1-yl)benzene-6-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum has a molecular weight of 679.68 g/mol, XLogP of 6.59, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-tert-butyl-5-(3,5-dimethyl-2H-imidazol-3-ium-2-id-1-yl)benzene-6-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 155622958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).