platinum(2+);2-[4-pyrazol-1-yl-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzoxazole

C33H19N5OPt — CID 153285342

About platinum(2+);2-[4-pyrazol-1-yl-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzoxazole

platinum(2+);2-[4-pyrazol-1-yl-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzoxazole (PubChem CID 153285342) has the molecular formula C33H19N5OPt and a molecular weight of 696.63 g/mol. Its IUPAC name is platinum(2+);2-[4-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: platinum(2+);2-[4-pyrazol-1-yl-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzoxazole
• PubChem CID: 153285342
• Molecular Formula: C33H19N5OPt
• Molecular Weight: 696.63 g/mol
• Exact Mass: 696.12
• IUPAC Name: platinum(2+);2-[4-pyrazol-1-yl-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzoxazole
• SMILES: [Pt+2].[c-]1c(-c2ccccn2)cccc1-n1c2[c-]c(-c3nc4ccccc4o3)cc(-n3cccn3)c2c2ccccc21
• InChI: InChI=1S/C33H19N5O.Pt/c1-3-14-28-25(11-1)32-29(37-18-8-17-35-37)20-23(33-36-27-13-2-4-15-31(27)39-33)21-30(32)38(28)24-10-7-9-22(19-24)26-12-5-6-16-34-26;/h1-18,20H;/q-2;+2
• InChIKey: LTBYRHRNJWJVNE-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-[4-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 platinum(2+);2-[4-pyrazol-1-yl-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzoxazole (CID 153285342) is platinum(2+);2-[4-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 platinum(2+);2-[4-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 platinum(2+);2-[4-pyrazol-1-yl-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzoxazole is [Pt+2].[c-]1c(-c2ccccn2)cccc1-n1c2[c-]c(-c3nc4ccccc4o3)cc(-n3cccn3)c2c2ccccc21.

What is the InChIKey of platinum(2+);2-[4-pyrazol-1-yl-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzoxazole?

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

What are the key properties of platinum(2+);2-[4-pyrazol-1-yl-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzoxazole?

platinum(2+);2-[4-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 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-[4-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 153285342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).