platinum(2+);6-(trifluoromethyl)-9-[6-[2-[6-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-8H-purin-8-ide

C22H13F6N9Pt — CID 59645679

About platinum(2+);6-(trifluoromethyl)-9-[6-[2-[6-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-8H-purin-8-ide

platinum(2+);6-(trifluoromethyl)-9-[6-[2-[6-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-8H-purin-8-ide (PubChem CID 59645679) has the molecular formula C22H13F6N9Pt and a molecular weight of 712.47 g/mol. Its IUPAC name is platinum(2+);6-(trifluoromethyl)-9-[6-[2-[6-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-8H-purin-8-ide.

Molecular Properties

• Compound Name: platinum(2+);6-(trifluoromethyl)-9-[6-[2-[6-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-8H-purin-8-ide
• PubChem CID: 59645679
• Molecular Formula: C22H13F6N9Pt
• Molecular Weight: 712.47 g/mol
• Exact Mass: 712.08
• IUPAC Name: platinum(2+);6-(trifluoromethyl)-9-[6-[2-[6-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-8H-purin-8-ide
• SMILES: CC(C)(c1cccc(-c2nc(C(F)(F)F)n[n-]2)n1)c1cccc(-n2[c-]nc3c(C(F)(F)F)ncnc32)n1.[Pt+2]
• InChI: InChI=1S/C22H13F6N9.Pt/c1-20(2,12-6-3-5-11(32-12)17-34-19(36-35-17)22(26,27)28)13-7-4-8-14(33-13)37-10-31-15-16(21(23,24)25)29-9-30-18(15)37;/h3-9H,1-2H3;/q-2;+2
• InChIKey: UOJPHNPEQMAHOL-UHFFFAOYSA-N
• XLogP: 4.18
• TPSA: 109.26 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	712.47
LogP ≤ 5	4.18
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of platinum(2+);6-(trifluoromethyl)-9-[6-[2-[6-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-8H-purin-8-ide?

The IUPAC name of platinum(2+);6-(trifluoromethyl)-9-[6-[2-[6-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-8H-purin-8-ide (CID 59645679) is platinum(2+);6-(trifluoromethyl)-9-[6-[2-[6-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-8H-purin-8-ide.

What is the SMILES notation for platinum(2+);6-(trifluoromethyl)-9-[6-[2-[6-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-8H-purin-8-ide?

The canonical SMILES for platinum(2+);6-(trifluoromethyl)-9-[6-[2-[6-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-8H-purin-8-ide is CC(C)(c1cccc(-c2nc(C(F)(F)F)n[n-]2)n1)c1cccc(-n2[c-]nc3c(C(F)(F)F)ncnc32)n1.[Pt+2].

What is the InChIKey of platinum(2+);6-(trifluoromethyl)-9-[6-[2-[6-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-8H-purin-8-ide?

The InChIKey is UOJPHNPEQMAHOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13F6N9.Pt/c1-20(2,12-6-3-5-11(32-12)17-34-19(36-35-17)22(26,27)28)13-7-4-8-14(33-13)37-10-31-15-16(21(23,24)25)29-9-30-18(15)37;/h3-9H,1-2H3;/q-2;+2.

What are the key properties of platinum(2+);6-(trifluoromethyl)-9-[6-[2-[6-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-8H-purin-8-ide?

platinum(2+);6-(trifluoromethyl)-9-[6-[2-[6-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-8H-purin-8-ide has a molecular weight of 712.47 g/mol, XLogP of 4.18, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for platinum(2+);6-(trifluoromethyl)-9-[6-[2-[6-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-8H-purin-8-ide is sourced from PubChem (CID 59645679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).