tris(platinum(2+));2-[6-pyridin-2-yl-9-[3-(5-pyridin-2-yl-2-pyridinyl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-benzoxazole;2-[9-[2-pyridin-2-yl-5-(5-pyridin-2-yl-2-pyridinyl)benzene-6-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-benzoxazole;6-pyridin-2-yl-2-[6-pyridin-2-yl-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzoxazole

C120H69N15O3Pt3 — CID 159479270

About tris(platinum(2+));2-[6-pyridin-2-yl-9-[3-(5-pyridin-2-yl-2-pyridinyl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-benzoxazole;2-[9-[2-pyridin-2-yl-5-(5-pyridin-2-yl-2-pyridinyl)benzene-6-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-benzoxazole;6-pyridin-2-yl-2-[6-pyridin-2-yl-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzoxazole

tris(platinum(2+));2-[6-pyridin-2-yl-9-[3-(5-pyridin-2-yl-2-pyridinyl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-benzoxazole;2-[9-[2-pyridin-2-yl-5-(5-pyridin-2-yl-2-pyridinyl)benzene-6-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-benzoxazole;6-pyridin-2-yl-2-[6-pyridin-2-yl-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzoxazole (PubChem CID 159479270) has the molecular formula C120H69N15O3Pt3 and a molecular weight of 2354.21 g/mol. Its IUPAC name is tris(platinum(2+));2-[6-pyridin-2-yl-9-[3-(5-pyridin-2-yl-2-pyridinyl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-benzoxazole;2-[9-[2-pyridin-2-yl-5-(5-pyridin-2-yl-2-pyridinyl)benzene-6-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-benzoxazole;6-pyridin-2-yl-2-[6-pyridin-2-yl-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzoxazole.

Molecular Properties

• Compound Name: tris(platinum(2+));2-[6-pyridin-2-yl-9-[3-(5-pyridin-2-yl-2-pyridinyl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-benzoxazole;2-[9-[2-pyridin-2-yl-5-(5-pyridin-2-yl-2-pyridinyl)benzene-6-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-benzoxazole;6-pyridin-2-yl-2-[6-pyridin-2-yl-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzoxazole
• PubChem CID: 159479270
• Molecular Formula: C120H69N15O3Pt3
• Molecular Weight: 2354.21 g/mol
• Exact Mass: 2352.47
• IUPAC Name: tris(platinum(2+));2-[6-pyridin-2-yl-9-[3-(5-pyridin-2-yl-2-pyridinyl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-benzoxazole;2-[9-[2-pyridin-2-yl-5-(5-pyridin-2-yl-2-pyridinyl)benzene-6-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-benzoxazole;6-pyridin-2-yl-2-[6-pyridin-2-yl-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzoxazole
• SMILES: [Pt+2].[Pt+2].[Pt+2].[c-]1c(-c2ccc(-c3ccccn3)cn2)ccc(-c2ccccn2)c1-n1c2[c-]c(-c3nc4ccccc4o3)ccc2c2ccccc21.[c-]1c(-c2ccc(-c3ccccn3)cn2)cccc1-n1c2[c-]c(-c3nc4ccccc4o3)ccc2c2cc(-c3ccccn3)ccc21.[c-]1c(-c2ccccn2)cccc1-n1c2[c-]c(-c3nc4ccc(-c5ccccn5)cc4o3)ccc2c2cc(-c3ccccn3)ccc21
• InChI: InChI=1S/3C40H23N5O.3Pt/c1-4-19-41-33(10-1)26-8-7-9-30(22-26)45-37-18-15-27(34-11-2-5-20-42-34)23-32(37)31-16-13-29(24-38(31)45)40-44-36-17-14-28(25-39(36)46-40)35-12-3-6-21-43-35;1-3-13-36-29(9-1)30-18-16-27(40-44-35-12-2-4-14-39(35)46-40)24-37(30)45(36)38-23-26(15-19-31(38)34-11-6-8-22-42-34)33-20-17-28(25-43-33)32-10-5-7-21-41-32;1-2-13-39-36(12-1)44-40(46-39)28-14-17-31-32-23-27(33-10-3-5-20-41-33)16-19-37(32)45(38(31)24-28)30-9-7-8-26(22-30)35-18-15-29(25-43-35)34-11-4-6-21-42-34;;;/h1-21,23,25H;1-22,25H;1-21,23,25H;;;/q3*-2;3*+2
• InChIKey: QMUXTJMNNKNPLR-UHFFFAOYSA-N
• XLogP: 28.13
• TPSA: 208.89 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 15
• Heavy Atoms: 141
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2354.21
LogP ≤ 5	28.13
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tris(platinum(2+));2-[6-pyridin-2-yl-9-[3-(5-pyridin-2-yl-2-pyridinyl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-benzoxazole;2-[9-[2-pyridin-2-yl-5-(5-pyridin-2-yl-2-pyridinyl)benzene-6-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-benzoxazole;6-pyridin-2-yl-2-[6-pyridin-2-yl-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzoxazole?

The IUPAC name of tris(platinum(2+));2-[6-pyridin-2-yl-9-[3-(5-pyridin-2-yl-2-pyridinyl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-benzoxazole;2-[9-[2-pyridin-2-yl-5-(5-pyridin-2-yl-2-pyridinyl)benzene-6-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-benzoxazole;6-pyridin-2-yl-2-[6-pyridin-2-yl-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzoxazole (CID 159479270) is tris(platinum(2+));2-[6-pyridin-2-yl-9-[3-(5-pyridin-2-yl-2-pyridinyl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-benzoxazole;2-[9-[2-pyridin-2-yl-5-(5-pyridin-2-yl-2-pyridinyl)benzene-6-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-benzoxazole;6-pyridin-2-yl-2-[6-pyridin-2-yl-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzoxazole.

What is the SMILES notation for tris(platinum(2+));2-[6-pyridin-2-yl-9-[3-(5-pyridin-2-yl-2-pyridinyl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-benzoxazole;2-[9-[2-pyridin-2-yl-5-(5-pyridin-2-yl-2-pyridinyl)benzene-6-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-benzoxazole;6-pyridin-2-yl-2-[6-pyridin-2-yl-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzoxazole?

The canonical SMILES for tris(platinum(2+));2-[6-pyridin-2-yl-9-[3-(5-pyridin-2-yl-2-pyridinyl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-benzoxazole;2-[9-[2-pyridin-2-yl-5-(5-pyridin-2-yl-2-pyridinyl)benzene-6-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-benzoxazole;6-pyridin-2-yl-2-[6-pyridin-2-yl-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzoxazole is [Pt+2].[Pt+2].[Pt+2].[c-]1c(-c2ccc(-c3ccccn3)cn2)ccc(-c2ccccn2)c1-n1c2[c-]c(-c3nc4ccccc4o3)ccc2c2ccccc21.[c-]1c(-c2ccc(-c3ccccn3)cn2)cccc1-n1c2[c-]c(-c3nc4ccccc4o3)ccc2c2cc(-c3ccccn3)ccc21.[c-]1c(-c2ccccn2)cccc1-n1c2[c-]c(-c3nc4ccc(-c5ccccn5)cc4o3)ccc2c2cc(-c3ccccn3)ccc21.

What is the InChIKey of tris(platinum(2+));2-[6-pyridin-2-yl-9-[3-(5-pyridin-2-yl-2-pyridinyl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-benzoxazole;2-[9-[2-pyridin-2-yl-5-(5-pyridin-2-yl-2-pyridinyl)benzene-6-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-benzoxazole;6-pyridin-2-yl-2-[6-pyridin-2-yl-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzoxazole?

The InChIKey is QMUXTJMNNKNPLR-UHFFFAOYSA-N. The full InChI is InChI=1S/3C40H23N5O.3Pt/c1-4-19-41-33(10-1)26-8-7-9-30(22-26)45-37-18-15-27(34-11-2-5-20-42-34)23-32(37)31-16-13-29(24-38(31)45)40-44-36-17-14-28(25-39(36)46-40)35-12-3-6-21-43-35;1-3-13-36-29(9-1)30-18-16-27(40-44-35-12-2-4-14-39(35)46-40)24-37(30)45(36)38-23-26(15-19-31(38)34-11-6-8-22-42-34)33-20-17-28(25-43-33)32-10-5-7-21-41-32;1-2-13-39-36(12-1)44-40(46-39)28-14-17-31-32-23-27(33-10-3-5-20-41-33)16-19-37(32)45(38(31)24-28)30-9-7-8-26(22-30)35-18-15-29(25-43-35)34-11-4-6-21-42-34;;;/h1-21,23,25H;1-22,25H;1-21,23,25H;;;/q3*-2;3*+2.

What are the key properties of tris(platinum(2+));2-[6-pyridin-2-yl-9-[3-(5-pyridin-2-yl-2-pyridinyl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-benzoxazole;2-[9-[2-pyridin-2-yl-5-(5-pyridin-2-yl-2-pyridinyl)benzene-6-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-benzoxazole;6-pyridin-2-yl-2-[6-pyridin-2-yl-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzoxazole?

tris(platinum(2+));2-[6-pyridin-2-yl-9-[3-(5-pyridin-2-yl-2-pyridinyl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-benzoxazole;2-[9-[2-pyridin-2-yl-5-(5-pyridin-2-yl-2-pyridinyl)benzene-6-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-benzoxazole;6-pyridin-2-yl-2-[6-pyridin-2-yl-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzoxazole has a molecular weight of 2354.21 g/mol, XLogP of 28.13, 15 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for tris(platinum(2+));2-[6-pyridin-2-yl-9-[3-(5-pyridin-2-yl-2-pyridinyl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-benzoxazole;2-[9-[2-pyridin-2-yl-5-(5-pyridin-2-yl-2-pyridinyl)benzene-6-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-benzoxazole;6-pyridin-2-yl-2-[6-pyridin-2-yl-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzoxazole is sourced from PubChem (CID 159479270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).