2-[[9-(1-methanidylpyridin-1-ium-2-yl)-1H-carbazol-1-id-2-yl]oxy]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum

C35H22N4OPt-2 — CID 164761033

About 2-[[9-(1-methanidylpyridin-1-ium-2-yl)-1H-carbazol-1-id-2-yl]oxy]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum

2-[[9-(1-methanidylpyridin-1-ium-2-yl)-1H-carbazol-1-id-2-yl]oxy]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum (PubChem CID 164761033) has the molecular formula C35H22N4OPt-2 and a molecular weight of 709.67 g/mol. Its IUPAC name is 2-[[9-(1-methanidylpyridin-1-ium-2-yl)-1H-carbazol-1-id-2-yl]oxy]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 2-[[9-(1-methanidylpyridin-1-ium-2-yl)-1H-carbazol-1-id-2-yl]oxy]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum
• PubChem CID: 164761033
• Molecular Formula: C35H22N4OPt-2
• Molecular Weight: 709.67 g/mol
• Exact Mass: 709.15
• IUPAC Name: 2-[[9-(1-methanidylpyridin-1-ium-2-yl)-1H-carbazol-1-id-2-yl]oxy]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum
• SMILES: [CH2-][n+]1ccccc1-n1c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3ccccn3)ccc2c2ccccc21.[Pt]
• InChI: InChI=1S/C35H22N4O.Pt/c1-37-21-9-7-15-35(37)39-31-13-5-3-11-27(31)29-19-17-25(23-33(29)39)40-24-16-18-28-26-10-2-4-12-30(26)38(32(28)22-24)34-14-6-8-20-36-34;/h2-21H,1H2;/q-2
• InChIKey: YXVKJPKTGPJXHJ-UHFFFAOYSA-N
• XLogP: 7.59
• TPSA: 35.86 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	709.67
LogP ≤ 5	7.59
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-[[9-(1-methanidylpyridin-1-ium-2-yl)-1H-carbazol-1-id-2-yl]oxy]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum?

The IUPAC name of 2-[[9-(1-methanidylpyridin-1-ium-2-yl)-1H-carbazol-1-id-2-yl]oxy]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum (CID 164761033) is 2-[[9-(1-methanidylpyridin-1-ium-2-yl)-1H-carbazol-1-id-2-yl]oxy]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum.

What is the SMILES notation for 2-[[9-(1-methanidylpyridin-1-ium-2-yl)-1H-carbazol-1-id-2-yl]oxy]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum?

The canonical SMILES for 2-[[9-(1-methanidylpyridin-1-ium-2-yl)-1H-carbazol-1-id-2-yl]oxy]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum is [CH2-][n+]1ccccc1-n1c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3ccccn3)ccc2c2ccccc21.[Pt].

What is the InChIKey of 2-[[9-(1-methanidylpyridin-1-ium-2-yl)-1H-carbazol-1-id-2-yl]oxy]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum?

The InChIKey is YXVKJPKTGPJXHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H22N4O.Pt/c1-37-21-9-7-15-35(37)39-31-13-5-3-11-27(31)29-19-17-25(23-33(29)39)40-24-16-18-28-26-10-2-4-12-30(26)38(32(28)22-24)34-14-6-8-20-36-34;/h2-21H,1H2;/q-2;.

What are the key properties of 2-[[9-(1-methanidylpyridin-1-ium-2-yl)-1H-carbazol-1-id-2-yl]oxy]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum?

2-[[9-(1-methanidylpyridin-1-ium-2-yl)-1H-carbazol-1-id-2-yl]oxy]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum has a molecular weight of 709.67 g/mol, XLogP of 7.59, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[9-(1-methanidylpyridin-1-ium-2-yl)-1H-carbazol-1-id-2-yl]oxy]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 164761033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).