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

C33H19N5OPt — CID 153285141

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

platinum(2+);2-[9-(3-pyrazol-1-yl-5-pyridin-2-ylbenzene-6-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzoxazole (PubChem CID 153285141) has the molecular formula C33H19N5OPt and a molecular weight of 696.63 g/mol. Its IUPAC name is platinum(2+);2-[9-(3-pyrazol-1-yl-5-pyridin-2-ylbenzene-6-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzoxazole.

Molecular Properties

• Compound Name: platinum(2+);2-[9-(3-pyrazol-1-yl-5-pyridin-2-ylbenzene-6-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzoxazole
• PubChem CID: 153285141
• Molecular Formula: C33H19N5OPt
• Molecular Weight: 696.63 g/mol
• Exact Mass: 696.12
• IUPAC Name: platinum(2+);2-[9-(3-pyrazol-1-yl-5-pyridin-2-ylbenzene-6-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzoxazole
• SMILES: [Pt+2].[c-]1c(-c2ccccn2)cc(-n2cccn2)cc1-n1c2[c-]c(-c3nc4ccccc4o3)ccc2c2ccccc21
• InChI: InChI=1S/C33H19N5O.Pt/c1-3-11-30-26(8-1)27-14-13-22(33-36-29-10-2-4-12-32(29)39-33)20-31(27)38(30)25-19-23(28-9-5-6-15-34-28)18-24(21-25)37-17-7-16-35-37;/h1-18,21H;/q-2;+2
• InChIKey: AANVRAWDAQKZNZ-UHFFFAOYSA-N
• XLogP: 7.44
• TPSA: 61.67 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	696.63
LogP ≤ 5	7.44
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of platinum(2+);2-[9-(3-pyrazol-1-yl-5-pyridin-2-ylbenzene-6-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzoxazole (CID 153285141) is platinum(2+);2-[9-(3-pyrazol-1-yl-5-pyridin-2-ylbenzene-6-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzoxazole.

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

The canonical SMILES for platinum(2+);2-[9-(3-pyrazol-1-yl-5-pyridin-2-ylbenzene-6-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzoxazole is [Pt+2].[c-]1c(-c2ccccn2)cc(-n2cccn2)cc1-n1c2[c-]c(-c3nc4ccccc4o3)ccc2c2ccccc21.

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

The InChIKey is AANVRAWDAQKZNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H19N5O.Pt/c1-3-11-30-26(8-1)27-14-13-22(33-36-29-10-2-4-12-32(29)39-33)20-31(27)38(30)25-19-23(28-9-5-6-15-34-28)18-24(21-25)37-17-7-16-35-37;/h1-18,21H;/q-2;+2.

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

platinum(2+);2-[9-(3-pyrazol-1-yl-5-pyridin-2-ylbenzene-6-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzoxazole has a molecular weight of 696.63 g/mol, XLogP of 7.44, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for platinum(2+);2-[9-(3-pyrazol-1-yl-5-pyridin-2-ylbenzene-6-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzoxazole is sourced from PubChem (CID 153285141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).