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

C108H63N21O3Pt3 — CID 160950015

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

2-[3,6-di(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-[6-pyrazol-1-yl-9-(2-pyrazol-1-yl-5-pyridin-2-ylbenzene-6-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzoxazole;2-[6-pyrazol-1-yl-9-[3-(5-pyrazol-1-yl-2-pyridinyl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-benzoxazole (PubChem CID 160950015) has the molecular formula C108H63N21O3Pt3 and a molecular weight of 2288.07 g/mol. Its IUPAC name is 2-[3,6-di(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-[6-pyrazol-1-yl-9-(2-pyrazol-1-yl-5-pyridin-2-ylbenzene-6-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzoxazole;2-[6-pyrazol-1-yl-9-[3-(5-pyrazol-1-yl-2-pyridinyl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-benzoxazole.

Molecular Properties

• Compound Name: 2-[3,6-di(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-[6-pyrazol-1-yl-9-(2-pyrazol-1-yl-5-pyridin-2-ylbenzene-6-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzoxazole;2-[6-pyrazol-1-yl-9-[3-(5-pyrazol-1-yl-2-pyridinyl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-benzoxazole
• PubChem CID: 160950015
• Molecular Formula: C108H63N21O3Pt3
• Molecular Weight: 2288.07 g/mol
• Exact Mass: 2286.44
• IUPAC Name: 2-[3,6-di(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-[6-pyrazol-1-yl-9-(2-pyrazol-1-yl-5-pyridin-2-ylbenzene-6-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzoxazole;2-[6-pyrazol-1-yl-9-[3-(5-pyrazol-1-yl-2-pyridinyl)benzene-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)cccc1-n1c2[c-]c(-c3nc4ccccc4o3)ccc2c2cc(-n3cccn3)ccc21.[c-]1c(-c2ccccn2)ccc(-n2cccn2)c1-n1c2[c-]c(-c3nc4ccccc4o3)ccc2c2cc(-n3cccn3)ccc21.[c-]1c(-c2ccccn2)cccc1-n1c2[c-]c(-c3nc4ccccc4o3)c(-n3cccn3)cc2c2cc(-n3cccn3)ccc21
• InChI: InChI=1S/3C36H21N7O.3Pt/c1-2-9-35-32(8-1)40-36(44-35)25-10-13-29-30-22-26(41-18-4-16-38-41)12-15-33(30)43(34(29)21-25)27-7-3-6-24(20-27)31-14-11-28(23-37-31)42-19-5-17-39-42;1-2-12-35-31(11-1)40-36(44-35)29-23-34-28(22-33(29)42-19-7-17-39-42)27-21-25(41-18-6-16-38-41)13-14-32(27)43(34)26-9-5-8-24(20-26)30-10-3-4-15-37-30;1-2-9-35-30(8-1)40-36(44-35)25-10-13-27-28-23-26(41-19-5-17-38-41)12-15-31(28)43(33(27)22-25)34-21-24(29-7-3-4-16-37-29)11-14-32(34)42-20-6-18-39-42;;;/h1-19,22-23H;1-19,21-22H;1-20,23H;;;/q3*-2;3*+2
• InChIKey: OJDMMFGYWZIMDW-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 2-[3,6-di(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-[6-pyrazol-1-yl-9-(2-pyrazol-1-yl-5-pyridin-2-ylbenzene-6-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzoxazole;2-[6-pyrazol-1-yl-9-[3-(5-pyrazol-1-yl-2-pyridinyl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-benzoxazole?

The IUPAC name of 2-[3,6-di(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-[6-pyrazol-1-yl-9-(2-pyrazol-1-yl-5-pyridin-2-ylbenzene-6-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzoxazole;2-[6-pyrazol-1-yl-9-[3-(5-pyrazol-1-yl-2-pyridinyl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-benzoxazole (CID 160950015) is 2-[3,6-di(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-[6-pyrazol-1-yl-9-(2-pyrazol-1-yl-5-pyridin-2-ylbenzene-6-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzoxazole;2-[6-pyrazol-1-yl-9-[3-(5-pyrazol-1-yl-2-pyridinyl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-benzoxazole.

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

The canonical SMILES for 2-[3,6-di(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-[6-pyrazol-1-yl-9-(2-pyrazol-1-yl-5-pyridin-2-ylbenzene-6-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzoxazole;2-[6-pyrazol-1-yl-9-[3-(5-pyrazol-1-yl-2-pyridinyl)benzene-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)cccc1-n1c2[c-]c(-c3nc4ccccc4o3)ccc2c2cc(-n3cccn3)ccc21.[c-]1c(-c2ccccn2)ccc(-n2cccn2)c1-n1c2[c-]c(-c3nc4ccccc4o3)ccc2c2cc(-n3cccn3)ccc21.[c-]1c(-c2ccccn2)cccc1-n1c2[c-]c(-c3nc4ccccc4o3)c(-n3cccn3)cc2c2cc(-n3cccn3)ccc21.

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

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

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

2-[3,6-di(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-[6-pyrazol-1-yl-9-(2-pyrazol-1-yl-5-pyridin-2-ylbenzene-6-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzoxazole;2-[6-pyrazol-1-yl-9-[3-(5-pyrazol-1-yl-2-pyridinyl)benzene-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 2-[3,6-di(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-[6-pyrazol-1-yl-9-(2-pyrazol-1-yl-5-pyridin-2-ylbenzene-6-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzoxazole;2-[6-pyrazol-1-yl-9-[3-(5-pyrazol-1-yl-2-pyridinyl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-benzoxazole is sourced from PubChem (CID 160950015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).