2-[3-(3-methylbenzotriazol-2-id-1-yl)benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum

C30H20N5OPt-3 — CID 164801839

About 2-[3-(3-methylbenzotriazol-2-id-1-yl)benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum

2-[3-(3-methylbenzotriazol-2-id-1-yl)benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum (PubChem CID 164801839) has the molecular formula C30H20N5OPt-3 and a molecular weight of 661.60 g/mol. Its IUPAC name is 2-[3-(3-methylbenzotriazol-2-id-1-yl)benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 2-[3-(3-methylbenzotriazol-2-id-1-yl)benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum
• PubChem CID: 164801839
• Molecular Formula: C30H20N5OPt-3
• Molecular Weight: 661.60 g/mol
• Exact Mass: 661.13
• IUPAC Name: 2-[3-(3-methylbenzotriazol-2-id-1-yl)benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum
• SMILES: CN1[N-]N(c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3ccccn3)ccc2)c2ccccc21.[Pt]
• InChI: InChI=1S/C30H20N5O.Pt/c1-33-27-13-4-5-14-28(27)35(32-33)21-9-8-10-22(19-21)36-23-16-17-25-24-11-2-3-12-26(24)34(29(25)20-23)30-15-6-7-18-31-30;/h2-18H,1H3;/q-3
• InChIKey: MUKVJQWDOIABSH-UHFFFAOYSA-N
• XLogP: 7.36
• TPSA: 47.63 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	661.60
LogP ≤ 5	7.36
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-methylbenzotriazol-2-id-1-yl)benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum?

The IUPAC name of 2-[3-(3-methylbenzotriazol-2-id-1-yl)benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum (CID 164801839) is 2-[3-(3-methylbenzotriazol-2-id-1-yl)benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum.

What is the SMILES notation for 2-[3-(3-methylbenzotriazol-2-id-1-yl)benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum?

The canonical SMILES for 2-[3-(3-methylbenzotriazol-2-id-1-yl)benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum is CN1[N-]N(c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3ccccn3)ccc2)c2ccccc21.[Pt].

What is the InChIKey of 2-[3-(3-methylbenzotriazol-2-id-1-yl)benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum?

The InChIKey is MUKVJQWDOIABSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H20N5O.Pt/c1-33-27-13-4-5-14-28(27)35(32-33)21-9-8-10-22(19-21)36-23-16-17-25-24-11-2-3-12-26(24)34(29(25)20-23)30-15-6-7-18-31-30;/h2-18H,1H3;/q-3;.

What are the key properties of 2-[3-(3-methylbenzotriazol-2-id-1-yl)benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum?

2-[3-(3-methylbenzotriazol-2-id-1-yl)benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum has a molecular weight of 661.60 g/mol, XLogP of 7.36, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-(3-methylbenzotriazol-2-id-1-yl)benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 164801839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).