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

C33H18N4OPtS — CID 153285645

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

platinum(2+);2-[9-(3-pyridin-2-ylbenzene-2-id-1-yl)-3-(1,3-thiazol-2-yl)-1H-carbazol-1-id-2-yl]-1,3-benzoxazole (PubChem CID 153285645) has the molecular formula C33H18N4OPtS and a molecular weight of 713.68 g/mol. Its IUPAC name is platinum(2+);2-[9-(3-pyridin-2-ylbenzene-2-id-1-yl)-3-(1,3-thiazol-2-yl)-1H-carbazol-1-id-2-yl]-1,3-benzoxazole.

Molecular Properties

• Compound Name: platinum(2+);2-[9-(3-pyridin-2-ylbenzene-2-id-1-yl)-3-(1,3-thiazol-2-yl)-1H-carbazol-1-id-2-yl]-1,3-benzoxazole
• PubChem CID: 153285645
• Molecular Formula: C33H18N4OPtS
• Molecular Weight: 713.68 g/mol
• Exact Mass: 713.08
• IUPAC Name: platinum(2+);2-[9-(3-pyridin-2-ylbenzene-2-id-1-yl)-3-(1,3-thiazol-2-yl)-1H-carbazol-1-id-2-yl]-1,3-benzoxazole
• SMILES: [Pt+2].[c-]1c(-c2ccccn2)cccc1-n1c2[c-]c(-c3nc4ccccc4o3)c(-c3nccs3)cc2c2ccccc21
• InChI: InChI=1S/C33H18N4OS.Pt/c1-3-13-29-23(10-1)24-19-26(33-35-16-17-39-33)25(32-36-28-12-2-4-14-31(28)38-32)20-30(24)37(29)22-9-7-8-21(18-22)27-11-5-6-15-34-27;/h1-17,19H;/q-2;+2
• InChIKey: ICNSTLDENYXXLI-UHFFFAOYSA-N
• XLogP: 8.38
• TPSA: 56.74 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	713.68
LogP ≤ 5	8.38
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-pyridin-2-ylbenzene-2-id-1-yl)-3-(1,3-thiazol-2-yl)-1H-carbazol-1-id-2-yl]-1,3-benzoxazole?

The IUPAC name of platinum(2+);2-[9-(3-pyridin-2-ylbenzene-2-id-1-yl)-3-(1,3-thiazol-2-yl)-1H-carbazol-1-id-2-yl]-1,3-benzoxazole (CID 153285645) is platinum(2+);2-[9-(3-pyridin-2-ylbenzene-2-id-1-yl)-3-(1,3-thiazol-2-yl)-1H-carbazol-1-id-2-yl]-1,3-benzoxazole.

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

The canonical SMILES for platinum(2+);2-[9-(3-pyridin-2-ylbenzene-2-id-1-yl)-3-(1,3-thiazol-2-yl)-1H-carbazol-1-id-2-yl]-1,3-benzoxazole is [Pt+2].[c-]1c(-c2ccccn2)cccc1-n1c2[c-]c(-c3nc4ccccc4o3)c(-c3nccs3)cc2c2ccccc21.

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

The InChIKey is ICNSTLDENYXXLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H18N4OS.Pt/c1-3-13-29-23(10-1)24-19-26(33-35-16-17-39-33)25(32-36-28-12-2-4-14-31(28)38-32)20-30(24)37(29)22-9-7-8-21(18-22)27-11-5-6-15-34-27;/h1-17,19H;/q-2;+2.

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

platinum(2+);2-[9-(3-pyridin-2-ylbenzene-2-id-1-yl)-3-(1,3-thiazol-2-yl)-1H-carbazol-1-id-2-yl]-1,3-benzoxazole has a molecular weight of 713.68 g/mol, XLogP of 8.38, 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-pyridin-2-ylbenzene-2-id-1-yl)-3-(1,3-thiazol-2-yl)-1H-carbazol-1-id-2-yl]-1,3-benzoxazole is sourced from PubChem (CID 153285645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).