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

C108H63N21O3Pt3 — CID 157466843

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

tris(platinum(2+));2-[9-[2-pyrazol-1-yl-5-(5-pyrazol-1-yl-2-pyridinyl)benzene-6-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-benzoxazole;5-pyrazol-1-yl-2-[6-pyrazol-1-yl-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzoxazole;6-pyrazol-1-yl-2-[6-pyrazol-1-yl-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzoxazole (PubChem CID 157466843) has the molecular formula C108H63N21O3Pt3 and a molecular weight of 2288.07 g/mol. Its IUPAC name is tris(platinum(2+));2-[9-[2-pyrazol-1-yl-5-(5-pyrazol-1-yl-2-pyridinyl)benzene-6-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-benzoxazole;5-pyrazol-1-yl-2-[6-pyrazol-1-yl-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzoxazole;6-pyrazol-1-yl-2-[6-pyrazol-1-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-[9-[2-pyrazol-1-yl-5-(5-pyrazol-1-yl-2-pyridinyl)benzene-6-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-benzoxazole;5-pyrazol-1-yl-2-[6-pyrazol-1-yl-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzoxazole;6-pyrazol-1-yl-2-[6-pyrazol-1-yl-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzoxazole
• PubChem CID: 157466843
• Molecular Formula: C108H63N21O3Pt3
• Molecular Weight: 2288.07 g/mol
• Exact Mass: 2286.44
• IUPAC Name: tris(platinum(2+));2-[9-[2-pyrazol-1-yl-5-(5-pyrazol-1-yl-2-pyridinyl)benzene-6-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-benzoxazole;5-pyrazol-1-yl-2-[6-pyrazol-1-yl-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzoxazole;6-pyrazol-1-yl-2-[6-pyrazol-1-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(-n3cccn3)cn2)ccc(-n2cccn2)c1-n1c2[c-]c(-c3nc4ccccc4o3)ccc2c2ccccc21.[c-]1c(-c2ccccn2)cccc1-n1c2[c-]c(-c3nc4cc(-n5cccn5)ccc4o3)ccc2c2cc(-n3cccn3)ccc21.[c-]1c(-c2ccccn2)cccc1-n1c2[c-]c(-c3nc4ccc(-n5cccn5)cc4o3)ccc2c2cc(-n3cccn3)ccc21
• InChI: InChI=1S/3C36H21N7O.3Pt/c1-3-9-31-27(7-1)28-14-11-25(36-40-30-8-2-4-10-35(30)44-36)22-33(28)43(31)34-21-24(12-16-32(34)42-20-6-18-39-42)29-15-13-26(23-37-29)41-19-5-17-38-41;1-2-15-37-31(8-1)24-6-3-7-28(20-24)43-33-14-11-26(41-18-4-16-38-41)22-30(33)29-12-9-25(21-34(29)43)36-40-32-13-10-27(23-35(32)44-36)42-19-5-17-39-42;1-2-15-37-31(8-1)24-6-3-7-28(20-24)43-33-13-10-26(41-18-4-16-38-41)22-30(33)29-12-9-25(21-34(29)43)36-40-32-23-27(11-14-35(32)44-36)42-19-5-17-39-42;;;/h1-20,23H;2*1-19,22-23H;;;/q3*-2;3*+2
• InChIKey: AWGFQZDJVMCHKS-UHFFFAOYSA-N
• XLogP: 22.87
• TPSA: 238.47 Ų
• H-Bond Acceptors: 24
• Rotatable Bonds: 15
• Heavy Atoms: 135
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2288.07
LogP ≤ 5	22.87
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	24

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-[9-[2-pyrazol-1-yl-5-(5-pyrazol-1-yl-2-pyridinyl)benzene-6-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-benzoxazole;5-pyrazol-1-yl-2-[6-pyrazol-1-yl-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzoxazole;6-pyrazol-1-yl-2-[6-pyrazol-1-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-[9-[2-pyrazol-1-yl-5-(5-pyrazol-1-yl-2-pyridinyl)benzene-6-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-benzoxazole;5-pyrazol-1-yl-2-[6-pyrazol-1-yl-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzoxazole;6-pyrazol-1-yl-2-[6-pyrazol-1-yl-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzoxazole (CID 157466843) is tris(platinum(2+));2-[9-[2-pyrazol-1-yl-5-(5-pyrazol-1-yl-2-pyridinyl)benzene-6-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-benzoxazole;5-pyrazol-1-yl-2-[6-pyrazol-1-yl-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzoxazole;6-pyrazol-1-yl-2-[6-pyrazol-1-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-[9-[2-pyrazol-1-yl-5-(5-pyrazol-1-yl-2-pyridinyl)benzene-6-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-benzoxazole;5-pyrazol-1-yl-2-[6-pyrazol-1-yl-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzoxazole;6-pyrazol-1-yl-2-[6-pyrazol-1-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-[9-[2-pyrazol-1-yl-5-(5-pyrazol-1-yl-2-pyridinyl)benzene-6-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-benzoxazole;5-pyrazol-1-yl-2-[6-pyrazol-1-yl-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzoxazole;6-pyrazol-1-yl-2-[6-pyrazol-1-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(-n3cccn3)cn2)ccc(-n2cccn2)c1-n1c2[c-]c(-c3nc4ccccc4o3)ccc2c2ccccc21.[c-]1c(-c2ccccn2)cccc1-n1c2[c-]c(-c3nc4cc(-n5cccn5)ccc4o3)ccc2c2cc(-n3cccn3)ccc21.[c-]1c(-c2ccccn2)cccc1-n1c2[c-]c(-c3nc4ccc(-n5cccn5)cc4o3)ccc2c2cc(-n3cccn3)ccc21.

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

The InChIKey is AWGFQZDJVMCHKS-UHFFFAOYSA-N. The full InChI is InChI=1S/3C36H21N7O.3Pt/c1-3-9-31-27(7-1)28-14-11-25(36-40-30-8-2-4-10-35(30)44-36)22-33(28)43(31)34-21-24(12-16-32(34)42-20-6-18-39-42)29-15-13-26(23-37-29)41-19-5-17-38-41;1-2-15-37-31(8-1)24-6-3-7-28(20-24)43-33-14-11-26(41-18-4-16-38-41)22-30(33)29-12-9-25(21-34(29)43)36-40-32-13-10-27(23-35(32)44-36)42-19-5-17-39-42;1-2-15-37-31(8-1)24-6-3-7-28(20-24)43-33-13-10-26(41-18-4-16-38-41)22-30(33)29-12-9-25(21-34(29)43)36-40-32-23-27(11-14-35(32)44-36)42-19-5-17-39-42;;;/h1-20,23H;2*1-19,22-23H;;;/q3*-2;3*+2.

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

tris(platinum(2+));2-[9-[2-pyrazol-1-yl-5-(5-pyrazol-1-yl-2-pyridinyl)benzene-6-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-benzoxazole;5-pyrazol-1-yl-2-[6-pyrazol-1-yl-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzoxazole;6-pyrazol-1-yl-2-[6-pyrazol-1-yl-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzoxazole has a molecular weight of 2288.07 g/mol, XLogP of 22.87, 15 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for tris(platinum(2+));2-[9-[2-pyrazol-1-yl-5-(5-pyrazol-1-yl-2-pyridinyl)benzene-6-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-benzoxazole;5-pyrazol-1-yl-2-[6-pyrazol-1-yl-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzoxazole;6-pyrazol-1-yl-2-[6-pyrazol-1-yl-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzoxazole is sourced from PubChem (CID 157466843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).