2-[3-tert-butyl-5-(4-phenylpyrazol-1-yl)benzene-6-id-1-yl]oxy-10-(4-tert-butyl-2-pyridinyl)-1H-phenoxazin-1-ide;2-[3-[4-(2,6-dimethylphenyl)-5-methyl-1,2,4-triazol-3-yl]benzene-2-id-1-yl]oxy-10-[4-(2,2-dimethylpropyl)-2-pyridinyl]-1H-phenoxazin-1-ide;2-[3-[1-(2,6-dimethylphenyl)-5-methyl-1,2,4-triazol-3-yl]benzene-2-id-1-yl]oxy-10-[4-(2-methylpropyl)-2-pyridinyl]-1H-phenoxazin-1-ide;tris(platinum(2+))

C117H104N14O6Pt3 — CID 157217340

About 2-[3-tert-butyl-5-(4-phenylpyrazol-1-yl)benzene-6-id-1-yl]oxy-10-(4-tert-butyl-2-pyridinyl)-1H-phenoxazin-1-ide;2-[3-[4-(2,6-dimethylphenyl)-5-methyl-1,2,4-triazol-3-yl]benzene-2-id-1-yl]oxy-10-[4-(2,2-dimethylpropyl)-2-pyridinyl]-1H-phenoxazin-1-ide;2-[3-[1-(2,6-dimethylphenyl)-5-methyl-1,2,4-triazol-3-yl]benzene-2-id-1-yl]oxy-10-[4-(2-methylpropyl)-2-pyridinyl]-1H-phenoxazin-1-ide;tris(platinum(2+))

2-[3-tert-butyl-5-(4-phenylpyrazol-1-yl)benzene-6-id-1-yl]oxy-10-(4-tert-butyl-2-pyridinyl)-1H-phenoxazin-1-ide;2-[3-[4-(2,6-dimethylphenyl)-5-methyl-1,2,4-triazol-3-yl]benzene-2-id-1-yl]oxy-10-[4-(2,2-dimethylpropyl)-2-pyridinyl]-1H-phenoxazin-1-ide;2-[3-[1-(2,6-dimethylphenyl)-5-methyl-1,2,4-triazol-3-yl]benzene-2-id-1-yl]oxy-10-[4-(2-methylpropyl)-2-pyridinyl]-1H-phenoxazin-1-ide;tris(platinum(2+)) (PubChem CID 157217340) has the molecular formula C117H104N14O6Pt3 and a molecular weight of 2387.44 g/mol. Its IUPAC name is 2-[3-tert-butyl-5-(4-phenylpyrazol-1-yl)benzene-6-id-1-yl]oxy-10-(4-tert-butyl-2-pyridinyl)-1H-phenoxazin-1-ide;2-[3-[4-(2,6-dimethylphenyl)-5-methyl-1,2,4-triazol-3-yl]benzene-2-id-1-yl]oxy-10-[4-(2,2-dimethylpropyl)-2-pyridinyl]-1H-phenoxazin-1-ide;2-[3-[1-(2,6-dimethylphenyl)-5-methyl-1,2,4-triazol-3-yl]benzene-2-id-1-yl]oxy-10-[4-(2-methylpropyl)-2-pyridinyl]-1H-phenoxazin-1-ide;tris(platinum(2+)).

Molecular Properties

• Compound Name: 2-[3-tert-butyl-5-(4-phenylpyrazol-1-yl)benzene-6-id-1-yl]oxy-10-(4-tert-butyl-2-pyridinyl)-1H-phenoxazin-1-ide;2-[3-[4-(2,6-dimethylphenyl)-5-methyl-1,2,4-triazol-3-yl]benzene-2-id-1-yl]oxy-10-[4-(2,2-dimethylpropyl)-2-pyridinyl]-1H-phenoxazin-1-ide;2-[3-[1-(2,6-dimethylphenyl)-5-methyl-1,2,4-triazol-3-yl]benzene-2-id-1-yl]oxy-10-[4-(2-methylpropyl)-2-pyridinyl]-1H-phenoxazin-1-ide;tris(platinum(2+))
• PubChem CID: 157217340
• Molecular Formula: C117H104N14O6Pt3
• Molecular Weight: 2387.44 g/mol
• Exact Mass: 2385.72
• IUPAC Name: 2-[3-tert-butyl-5-(4-phenylpyrazol-1-yl)benzene-6-id-1-yl]oxy-10-(4-tert-butyl-2-pyridinyl)-1H-phenoxazin-1-ide;2-[3-[4-(2,6-dimethylphenyl)-5-methyl-1,2,4-triazol-3-yl]benzene-2-id-1-yl]oxy-10-[4-(2,2-dimethylpropyl)-2-pyridinyl]-1H-phenoxazin-1-ide;2-[3-[1-(2,6-dimethylphenyl)-5-methyl-1,2,4-triazol-3-yl]benzene-2-id-1-yl]oxy-10-[4-(2-methylpropyl)-2-pyridinyl]-1H-phenoxazin-1-ide;tris(platinum(2+))
• SMILES: CC(C)(C)c1cc(Oc2[c-]c3c(cc2)Oc2ccccc2N3c2cc(C(C)(C)C)ccn2)[c-]c(-n2cc(-c3ccccc3)cn2)c1.Cc1cccc(C)c1-n1c(C)nnc1-c1[c-]c(Oc2[c-]c3c(cc2)Oc2ccccc2N3c2cc(CC(C)(C)C)ccn2)ccc1.Cc1cccc(C)c1-n1nc(-c2[c-]c(Oc3[c-]c4c(cc3)Oc3ccccc3N4c3cc(CC(C)C)ccn3)ccc2)nc1C.[Pt+2].[Pt+2].[Pt+2]
• InChI: InChI=1S/C40H36N4O2.C39H35N5O2.C38H33N5O2.3Pt/c1-39(2,3)29-18-19-41-38(22-29)44-34-14-10-11-15-36(34)46-37-17-16-32(24-35(37)44)45-33-21-30(40(4,5)6)20-31(23-33)43-26-28(25-42-43)27-12-8-7-9-13-27;1-25-11-9-12-26(2)37(25)43-27(3)41-42-38(43)29-13-10-14-30(22-29)45-31-17-18-35-33(23-31)44(32-15-7-8-16-34(32)46-35)36-21-28(19-20-40-36)24-39(4,5)6;1-24(2)20-28-18-19-39-36(21-28)42-32-14-6-7-15-34(32)45-35-17-16-31(23-33(35)42)44-30-13-9-12-29(22-30)38-40-27(5)43(41-38)37-25(3)10-8-11-26(37)4;;;/h7-22,25-26H,1-6H3;7-21H,24H2,1-6H3;6-19,21,24H,20H2,1-5H3;;;/q3*-2;3*+2
• InChIKey: XIRTYKHJEVYGLK-UHFFFAOYSA-N
• XLogP: 29.72
• TPSA: 183.01 Ų
• H-Bond Acceptors: 20
• Rotatable Bonds: 18
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2387.44
LogP ≤ 5	29.72
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[3-tert-butyl-5-(4-phenylpyrazol-1-yl)benzene-6-id-1-yl]oxy-10-(4-tert-butyl-2-pyridinyl)-1H-phenoxazin-1-ide;2-[3-[4-(2,6-dimethylphenyl)-5-methyl-1,2,4-triazol-3-yl]benzene-2-id-1-yl]oxy-10-[4-(2,2-dimethylpropyl)-2-pyridinyl]-1H-phenoxazin-1-ide;2-[3-[1-(2,6-dimethylphenyl)-5-methyl-1,2,4-triazol-3-yl]benzene-2-id-1-yl]oxy-10-[4-(2-methylpropyl)-2-pyridinyl]-1H-phenoxazin-1-ide;tris(platinum(2+))?

The IUPAC name of 2-[3-tert-butyl-5-(4-phenylpyrazol-1-yl)benzene-6-id-1-yl]oxy-10-(4-tert-butyl-2-pyridinyl)-1H-phenoxazin-1-ide;2-[3-[4-(2,6-dimethylphenyl)-5-methyl-1,2,4-triazol-3-yl]benzene-2-id-1-yl]oxy-10-[4-(2,2-dimethylpropyl)-2-pyridinyl]-1H-phenoxazin-1-ide;2-[3-[1-(2,6-dimethylphenyl)-5-methyl-1,2,4-triazol-3-yl]benzene-2-id-1-yl]oxy-10-[4-(2-methylpropyl)-2-pyridinyl]-1H-phenoxazin-1-ide;tris(platinum(2+)) (CID 157217340) is 2-[3-tert-butyl-5-(4-phenylpyrazol-1-yl)benzene-6-id-1-yl]oxy-10-(4-tert-butyl-2-pyridinyl)-1H-phenoxazin-1-ide;2-[3-[4-(2,6-dimethylphenyl)-5-methyl-1,2,4-triazol-3-yl]benzene-2-id-1-yl]oxy-10-[4-(2,2-dimethylpropyl)-2-pyridinyl]-1H-phenoxazin-1-ide;2-[3-[1-(2,6-dimethylphenyl)-5-methyl-1,2,4-triazol-3-yl]benzene-2-id-1-yl]oxy-10-[4-(2-methylpropyl)-2-pyridinyl]-1H-phenoxazin-1-ide;tris(platinum(2+)).

What is the SMILES notation for 2-[3-tert-butyl-5-(4-phenylpyrazol-1-yl)benzene-6-id-1-yl]oxy-10-(4-tert-butyl-2-pyridinyl)-1H-phenoxazin-1-ide;2-[3-[4-(2,6-dimethylphenyl)-5-methyl-1,2,4-triazol-3-yl]benzene-2-id-1-yl]oxy-10-[4-(2,2-dimethylpropyl)-2-pyridinyl]-1H-phenoxazin-1-ide;2-[3-[1-(2,6-dimethylphenyl)-5-methyl-1,2,4-triazol-3-yl]benzene-2-id-1-yl]oxy-10-[4-(2-methylpropyl)-2-pyridinyl]-1H-phenoxazin-1-ide;tris(platinum(2+))?

The canonical SMILES for 2-[3-tert-butyl-5-(4-phenylpyrazol-1-yl)benzene-6-id-1-yl]oxy-10-(4-tert-butyl-2-pyridinyl)-1H-phenoxazin-1-ide;2-[3-[4-(2,6-dimethylphenyl)-5-methyl-1,2,4-triazol-3-yl]benzene-2-id-1-yl]oxy-10-[4-(2,2-dimethylpropyl)-2-pyridinyl]-1H-phenoxazin-1-ide;2-[3-[1-(2,6-dimethylphenyl)-5-methyl-1,2,4-triazol-3-yl]benzene-2-id-1-yl]oxy-10-[4-(2-methylpropyl)-2-pyridinyl]-1H-phenoxazin-1-ide;tris(platinum(2+)) is CC(C)(C)c1cc(Oc2[c-]c3c(cc2)Oc2ccccc2N3c2cc(C(C)(C)C)ccn2)[c-]c(-n2cc(-c3ccccc3)cn2)c1.Cc1cccc(C)c1-n1c(C)nnc1-c1[c-]c(Oc2[c-]c3c(cc2)Oc2ccccc2N3c2cc(CC(C)(C)C)ccn2)ccc1.Cc1cccc(C)c1-n1nc(-c2[c-]c(Oc3[c-]c4c(cc3)Oc3ccccc3N4c3cc(CC(C)C)ccn3)ccc2)nc1C.[Pt+2].[Pt+2].[Pt+2].

What is the InChIKey of 2-[3-tert-butyl-5-(4-phenylpyrazol-1-yl)benzene-6-id-1-yl]oxy-10-(4-tert-butyl-2-pyridinyl)-1H-phenoxazin-1-ide;2-[3-[4-(2,6-dimethylphenyl)-5-methyl-1,2,4-triazol-3-yl]benzene-2-id-1-yl]oxy-10-[4-(2,2-dimethylpropyl)-2-pyridinyl]-1H-phenoxazin-1-ide;2-[3-[1-(2,6-dimethylphenyl)-5-methyl-1,2,4-triazol-3-yl]benzene-2-id-1-yl]oxy-10-[4-(2-methylpropyl)-2-pyridinyl]-1H-phenoxazin-1-ide;tris(platinum(2+))?

The InChIKey is XIRTYKHJEVYGLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H36N4O2.C39H35N5O2.C38H33N5O2.3Pt/c1-39(2,3)29-18-19-41-38(22-29)44-34-14-10-11-15-36(34)46-37-17-16-32(24-35(37)44)45-33-21-30(40(4,5)6)20-31(23-33)43-26-28(25-42-43)27-12-8-7-9-13-27;1-25-11-9-12-26(2)37(25)43-27(3)41-42-38(43)29-13-10-14-30(22-29)45-31-17-18-35-33(23-31)44(32-15-7-8-16-34(32)46-35)36-21-28(19-20-40-36)24-39(4,5)6;1-24(2)20-28-18-19-39-36(21-28)42-32-14-6-7-15-34(32)45-35-17-16-31(23-33(35)42)44-30-13-9-12-29(22-30)38-40-27(5)43(41-38)37-25(3)10-8-11-26(37)4;;;/h7-22,25-26H,1-6H3;7-21H,24H2,1-6H3;6-19,21,24H,20H2,1-5H3;;;/q3*-2;3*+2.

What are the key properties of 2-[3-tert-butyl-5-(4-phenylpyrazol-1-yl)benzene-6-id-1-yl]oxy-10-(4-tert-butyl-2-pyridinyl)-1H-phenoxazin-1-ide;2-[3-[4-(2,6-dimethylphenyl)-5-methyl-1,2,4-triazol-3-yl]benzene-2-id-1-yl]oxy-10-[4-(2,2-dimethylpropyl)-2-pyridinyl]-1H-phenoxazin-1-ide;2-[3-[1-(2,6-dimethylphenyl)-5-methyl-1,2,4-triazol-3-yl]benzene-2-id-1-yl]oxy-10-[4-(2-methylpropyl)-2-pyridinyl]-1H-phenoxazin-1-ide;tris(platinum(2+))?

2-[3-tert-butyl-5-(4-phenylpyrazol-1-yl)benzene-6-id-1-yl]oxy-10-(4-tert-butyl-2-pyridinyl)-1H-phenoxazin-1-ide;2-[3-[4-(2,6-dimethylphenyl)-5-methyl-1,2,4-triazol-3-yl]benzene-2-id-1-yl]oxy-10-[4-(2,2-dimethylpropyl)-2-pyridinyl]-1H-phenoxazin-1-ide;2-[3-[1-(2,6-dimethylphenyl)-5-methyl-1,2,4-triazol-3-yl]benzene-2-id-1-yl]oxy-10-[4-(2-methylpropyl)-2-pyridinyl]-1H-phenoxazin-1-ide;tris(platinum(2+)) has a molecular weight of 2387.44 g/mol, XLogP of 29.72, 18 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-tert-butyl-5-(4-phenylpyrazol-1-yl)benzene-6-id-1-yl]oxy-10-(4-tert-butyl-2-pyridinyl)-1H-phenoxazin-1-ide;2-[3-[4-(2,6-dimethylphenyl)-5-methyl-1,2,4-triazol-3-yl]benzene-2-id-1-yl]oxy-10-[4-(2,2-dimethylpropyl)-2-pyridinyl]-1H-phenoxazin-1-ide;2-[3-[1-(2,6-dimethylphenyl)-5-methyl-1,2,4-triazol-3-yl]benzene-2-id-1-yl]oxy-10-[4-(2-methylpropyl)-2-pyridinyl]-1H-phenoxazin-1-ide;tris(platinum(2+)) is sourced from PubChem (CID 157217340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).