2-[3-[5-(2-methylphenyl)-4-(2,4,6-trimethylphenyl)-1,2,4-triazol-3-yl]benzene-2-id-1-yl]oxy-10-(4-methyl-2-pyridinyl)-1H-phenoxazin-1-ide;platinum(2+)

C42H33N5O2Pt — CID 140750666

About 2-[3-[5-(2-methylphenyl)-4-(2,4,6-trimethylphenyl)-1,2,4-triazol-3-yl]benzene-2-id-1-yl]oxy-10-(4-methyl-2-pyridinyl)-1H-phenoxazin-1-ide;platinum(2+)

2-[3-[5-(2-methylphenyl)-4-(2,4,6-trimethylphenyl)-1,2,4-triazol-3-yl]benzene-2-id-1-yl]oxy-10-(4-methyl-2-pyridinyl)-1H-phenoxazin-1-ide;platinum(2+) (PubChem CID 140750666) has the molecular formula C42H33N5O2Pt and a molecular weight of 834.84 g/mol. Its IUPAC name is 2-[3-[5-(2-methylphenyl)-4-(2,4,6-trimethylphenyl)-1,2,4-triazol-3-yl]benzene-2-id-1-yl]oxy-10-(4-methyl-2-pyridinyl)-1H-phenoxazin-1-ide;platinum(2+).

Molecular Properties

• Compound Name: 2-[3-[5-(2-methylphenyl)-4-(2,4,6-trimethylphenyl)-1,2,4-triazol-3-yl]benzene-2-id-1-yl]oxy-10-(4-methyl-2-pyridinyl)-1H-phenoxazin-1-ide;platinum(2+)
• PubChem CID: 140750666
• Molecular Formula: C42H33N5O2Pt
• Molecular Weight: 834.84 g/mol
• Exact Mass: 834.23
• IUPAC Name: 2-[3-[5-(2-methylphenyl)-4-(2,4,6-trimethylphenyl)-1,2,4-triazol-3-yl]benzene-2-id-1-yl]oxy-10-(4-methyl-2-pyridinyl)-1H-phenoxazin-1-ide;platinum(2+)
• SMILES: Cc1ccnc(N2c3[c-]c(Oc4[c-]c(-c5nnc(-c6ccccc6C)n5-c5c(C)cc(C)cc5C)ccc4)ccc3Oc3ccccc32)c1.[Pt+2]
• InChI: InChI=1S/C42H33N5O2.Pt/c1-26-19-20-43-39(23-26)46-35-15-8-9-16-37(35)49-38-18-17-33(25-36(38)46)48-32-13-10-12-31(24-32)41-44-45-42(34-14-7-6-11-28(34)3)47(41)40-29(4)21-27(2)22-30(40)5;/h6-23H,1-5H3;/q-2;+2
• InChIKey: VOVFVKDHNFRWMW-UHFFFAOYSA-N
• XLogP: 10.50
• TPSA: 65.30 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	834.84
LogP ≤ 5	10.50
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[3-[5-(2-methylphenyl)-4-(2,4,6-trimethylphenyl)-1,2,4-triazol-3-yl]benzene-2-id-1-yl]oxy-10-(4-methyl-2-pyridinyl)-1H-phenoxazin-1-ide;platinum(2+)?

The IUPAC name of 2-[3-[5-(2-methylphenyl)-4-(2,4,6-trimethylphenyl)-1,2,4-triazol-3-yl]benzene-2-id-1-yl]oxy-10-(4-methyl-2-pyridinyl)-1H-phenoxazin-1-ide;platinum(2+) (CID 140750666) is 2-[3-[5-(2-methylphenyl)-4-(2,4,6-trimethylphenyl)-1,2,4-triazol-3-yl]benzene-2-id-1-yl]oxy-10-(4-methyl-2-pyridinyl)-1H-phenoxazin-1-ide;platinum(2+).

What is the SMILES notation for 2-[3-[5-(2-methylphenyl)-4-(2,4,6-trimethylphenyl)-1,2,4-triazol-3-yl]benzene-2-id-1-yl]oxy-10-(4-methyl-2-pyridinyl)-1H-phenoxazin-1-ide;platinum(2+)?

The canonical SMILES for 2-[3-[5-(2-methylphenyl)-4-(2,4,6-trimethylphenyl)-1,2,4-triazol-3-yl]benzene-2-id-1-yl]oxy-10-(4-methyl-2-pyridinyl)-1H-phenoxazin-1-ide;platinum(2+) is Cc1ccnc(N2c3[c-]c(Oc4[c-]c(-c5nnc(-c6ccccc6C)n5-c5c(C)cc(C)cc5C)ccc4)ccc3Oc3ccccc32)c1.[Pt+2].

What is the InChIKey of 2-[3-[5-(2-methylphenyl)-4-(2,4,6-trimethylphenyl)-1,2,4-triazol-3-yl]benzene-2-id-1-yl]oxy-10-(4-methyl-2-pyridinyl)-1H-phenoxazin-1-ide;platinum(2+)?

The InChIKey is VOVFVKDHNFRWMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H33N5O2.Pt/c1-26-19-20-43-39(23-26)46-35-15-8-9-16-37(35)49-38-18-17-33(25-36(38)46)48-32-13-10-12-31(24-32)41-44-45-42(34-14-7-6-11-28(34)3)47(41)40-29(4)21-27(2)22-30(40)5;/h6-23H,1-5H3;/q-2;+2.

What are the key properties of 2-[3-[5-(2-methylphenyl)-4-(2,4,6-trimethylphenyl)-1,2,4-triazol-3-yl]benzene-2-id-1-yl]oxy-10-(4-methyl-2-pyridinyl)-1H-phenoxazin-1-ide;platinum(2+)?

2-[3-[5-(2-methylphenyl)-4-(2,4,6-trimethylphenyl)-1,2,4-triazol-3-yl]benzene-2-id-1-yl]oxy-10-(4-methyl-2-pyridinyl)-1H-phenoxazin-1-ide;platinum(2+) has a molecular weight of 834.84 g/mol, XLogP of 10.50, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[5-(2-methylphenyl)-4-(2,4,6-trimethylphenyl)-1,2,4-triazol-3-yl]benzene-2-id-1-yl]oxy-10-(4-methyl-2-pyridinyl)-1H-phenoxazin-1-ide;platinum(2+) is sourced from PubChem (CID 140750666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).