bis(platinum(2+));2-[11-(3-pyrazol-1-ylbenzene-2-id-1-yl)-5,6-dihydro-1H-benzo[b][1]benzazepin-1-id-2-yl]-1,3-benzothiazole;2-[11-(3-pyrazol-1-ylbenzene-2-id-1-yl)-5,6-dihydro-1H-benzo[b][1]benzazepin-1-id-2-yl]-1,3-benzoxazole

C60H40N8OPt2S — CID 159501778

About bis(platinum(2+));2-[11-(3-pyrazol-1-ylbenzene-2-id-1-yl)-5,6-dihydro-1H-benzo[b][1]benzazepin-1-id-2-yl]-1,3-benzothiazole;2-[11-(3-pyrazol-1-ylbenzene-2-id-1-yl)-5,6-dihydro-1H-benzo[b][1]benzazepin-1-id-2-yl]-1,3-benzoxazole

bis(platinum(2+));2-[11-(3-pyrazol-1-ylbenzene-2-id-1-yl)-5,6-dihydro-1H-benzo[b][1]benzazepin-1-id-2-yl]-1,3-benzothiazole;2-[11-(3-pyrazol-1-ylbenzene-2-id-1-yl)-5,6-dihydro-1H-benzo[b][1]benzazepin-1-id-2-yl]-1,3-benzoxazole (PubChem CID 159501778) has the molecular formula C60H40N8OPt2S and a molecular weight of 1311.26 g/mol. Its IUPAC name is bis(platinum(2+));2-[11-(3-pyrazol-1-ylbenzene-2-id-1-yl)-5,6-dihydro-1H-benzo[b][1]benzazepin-1-id-2-yl]-1,3-benzothiazole;2-[11-(3-pyrazol-1-ylbenzene-2-id-1-yl)-5,6-dihydro-1H-benzo[b][1]benzazepin-1-id-2-yl]-1,3-benzoxazole.

Molecular Properties

• Compound Name: bis(platinum(2+));2-[11-(3-pyrazol-1-ylbenzene-2-id-1-yl)-5,6-dihydro-1H-benzo[b][1]benzazepin-1-id-2-yl]-1,3-benzothiazole;2-[11-(3-pyrazol-1-ylbenzene-2-id-1-yl)-5,6-dihydro-1H-benzo[b][1]benzazepin-1-id-2-yl]-1,3-benzoxazole
• PubChem CID: 159501778
• Molecular Formula: C60H40N8OPt2S
• Molecular Weight: 1311.26 g/mol
• Exact Mass: 1310.23
• IUPAC Name: bis(platinum(2+));2-[11-(3-pyrazol-1-ylbenzene-2-id-1-yl)-5,6-dihydro-1H-benzo[b][1]benzazepin-1-id-2-yl]-1,3-benzothiazole;2-[11-(3-pyrazol-1-ylbenzene-2-id-1-yl)-5,6-dihydro-1H-benzo[b][1]benzazepin-1-id-2-yl]-1,3-benzoxazole
• SMILES: [Pt+2].[Pt+2].[c-]1c(N2c3[c-]c(-c4nc5ccccc5o4)ccc3CCc3ccccc32)cccc1-n1cccn1.[c-]1c(N2c3[c-]c(-c4nc5ccccc5s4)ccc3CCc3ccccc32)cccc1-n1cccn1
• InChI: InChI=1S/C30H20N4O.C30H20N4S.2Pt/c2*1-3-11-27-21(7-1)13-14-22-15-16-23(30-32-26-10-2-4-12-29(26)35-30)19-28(22)34(27)25-9-5-8-24(20-25)33-18-6-17-31-33;;/h2*1-12,15-18H,13-14H2;;/q2*-2;2*+2
• InChIKey: IEIPZKROGJYMEO-UHFFFAOYSA-N
• XLogP: 14.16
• TPSA: 81.04 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1311.26
LogP ≤ 5	14.16
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bis(platinum(2+));2-[11-(3-pyrazol-1-ylbenzene-2-id-1-yl)-5,6-dihydro-1H-benzo[b][1]benzazepin-1-id-2-yl]-1,3-benzothiazole;2-[11-(3-pyrazol-1-ylbenzene-2-id-1-yl)-5,6-dihydro-1H-benzo[b][1]benzazepin-1-id-2-yl]-1,3-benzoxazole?

The IUPAC name of bis(platinum(2+));2-[11-(3-pyrazol-1-ylbenzene-2-id-1-yl)-5,6-dihydro-1H-benzo[b][1]benzazepin-1-id-2-yl]-1,3-benzothiazole;2-[11-(3-pyrazol-1-ylbenzene-2-id-1-yl)-5,6-dihydro-1H-benzo[b][1]benzazepin-1-id-2-yl]-1,3-benzoxazole (CID 159501778) is bis(platinum(2+));2-[11-(3-pyrazol-1-ylbenzene-2-id-1-yl)-5,6-dihydro-1H-benzo[b][1]benzazepin-1-id-2-yl]-1,3-benzothiazole;2-[11-(3-pyrazol-1-ylbenzene-2-id-1-yl)-5,6-dihydro-1H-benzo[b][1]benzazepin-1-id-2-yl]-1,3-benzoxazole.

What is the SMILES notation for bis(platinum(2+));2-[11-(3-pyrazol-1-ylbenzene-2-id-1-yl)-5,6-dihydro-1H-benzo[b][1]benzazepin-1-id-2-yl]-1,3-benzothiazole;2-[11-(3-pyrazol-1-ylbenzene-2-id-1-yl)-5,6-dihydro-1H-benzo[b][1]benzazepin-1-id-2-yl]-1,3-benzoxazole?

The canonical SMILES for bis(platinum(2+));2-[11-(3-pyrazol-1-ylbenzene-2-id-1-yl)-5,6-dihydro-1H-benzo[b][1]benzazepin-1-id-2-yl]-1,3-benzothiazole;2-[11-(3-pyrazol-1-ylbenzene-2-id-1-yl)-5,6-dihydro-1H-benzo[b][1]benzazepin-1-id-2-yl]-1,3-benzoxazole is [Pt+2].[Pt+2].[c-]1c(N2c3[c-]c(-c4nc5ccccc5o4)ccc3CCc3ccccc32)cccc1-n1cccn1.[c-]1c(N2c3[c-]c(-c4nc5ccccc5s4)ccc3CCc3ccccc32)cccc1-n1cccn1.

What is the InChIKey of bis(platinum(2+));2-[11-(3-pyrazol-1-ylbenzene-2-id-1-yl)-5,6-dihydro-1H-benzo[b][1]benzazepin-1-id-2-yl]-1,3-benzothiazole;2-[11-(3-pyrazol-1-ylbenzene-2-id-1-yl)-5,6-dihydro-1H-benzo[b][1]benzazepin-1-id-2-yl]-1,3-benzoxazole?

The InChIKey is IEIPZKROGJYMEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H20N4O.C30H20N4S.2Pt/c2*1-3-11-27-21(7-1)13-14-22-15-16-23(30-32-26-10-2-4-12-29(26)35-30)19-28(22)34(27)25-9-5-8-24(20-25)33-18-6-17-31-33;;/h2*1-12,15-18H,13-14H2;;/q2*-2;2*+2.

What are the key properties of bis(platinum(2+));2-[11-(3-pyrazol-1-ylbenzene-2-id-1-yl)-5,6-dihydro-1H-benzo[b][1]benzazepin-1-id-2-yl]-1,3-benzothiazole;2-[11-(3-pyrazol-1-ylbenzene-2-id-1-yl)-5,6-dihydro-1H-benzo[b][1]benzazepin-1-id-2-yl]-1,3-benzoxazole?

bis(platinum(2+));2-[11-(3-pyrazol-1-ylbenzene-2-id-1-yl)-5,6-dihydro-1H-benzo[b][1]benzazepin-1-id-2-yl]-1,3-benzothiazole;2-[11-(3-pyrazol-1-ylbenzene-2-id-1-yl)-5,6-dihydro-1H-benzo[b][1]benzazepin-1-id-2-yl]-1,3-benzoxazole has a molecular weight of 1311.26 g/mol, XLogP of 14.16, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for bis(platinum(2+));2-[11-(3-pyrazol-1-ylbenzene-2-id-1-yl)-5,6-dihydro-1H-benzo[b][1]benzazepin-1-id-2-yl]-1,3-benzothiazole;2-[11-(3-pyrazol-1-ylbenzene-2-id-1-yl)-5,6-dihydro-1H-benzo[b][1]benzazepin-1-id-2-yl]-1,3-benzoxazole is sourced from PubChem (CID 159501778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).