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

C33H19N5OPt — CID 153285575

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

platinum(2+);2-[3-pyrazol-1-yl-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzoxazole (PubChem CID 153285575) has the molecular formula C33H19N5OPt and a molecular weight of 696.63 g/mol. Its IUPAC name is platinum(2+);2-[3-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-[3-pyrazol-1-yl-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzoxazole
• PubChem CID: 153285575
• Molecular Formula: C33H19N5OPt
• Molecular Weight: 696.63 g/mol
• Exact Mass: 696.12
• IUPAC Name: platinum(2+);2-[3-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)c(-n3cccn3)cc2c2ccccc21
• InChI: InChI=1S/C33H19N5O.Pt/c1-3-14-29-24(11-1)25-20-30(37-18-8-17-35-37)26(33-36-28-13-2-4-15-32(28)39-33)21-31(25)38(29)23-10-7-9-22(19-23)27-12-5-6-16-34-27;/h1-18,20H;/q-2;+2
• InChIKey: JBEOZVXIHHZYKQ-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-[3-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-[3-pyrazol-1-yl-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzoxazole (CID 153285575) is platinum(2+);2-[3-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-[3-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-[3-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)c(-n3cccn3)cc2c2ccccc21.

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

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

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

platinum(2+);2-[3-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-[3-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 153285575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).