5-tert-butyl-2-[6-[2-[6-(5-tert-butyl-4-cyano-3H-pyrazol-3-id-2-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-3H-pyrazol-3-ide-4-carbonitrile;platinum(2+)

C29H30N8Pt — CID 58444740

About 5-tert-butyl-2-[6-[2-[6-(5-tert-butyl-4-cyano-3H-pyrazol-3-id-2-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-3H-pyrazol-3-ide-4-carbonitrile;platinum(2+)

5-tert-butyl-2-[6-[2-[6-(5-tert-butyl-4-cyano-3H-pyrazol-3-id-2-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-3H-pyrazol-3-ide-4-carbonitrile;platinum(2+) (PubChem CID 58444740) has the molecular formula C29H30N8Pt and a molecular weight of 685.69 g/mol. Its IUPAC name is 5-tert-butyl-2-[6-[2-[6-(5-tert-butyl-4-cyano-3H-pyrazol-3-id-2-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-3H-pyrazol-3-ide-4-carbonitrile;platinum(2+).

Molecular Properties

• Compound Name: 5-tert-butyl-2-[6-[2-[6-(5-tert-butyl-4-cyano-3H-pyrazol-3-id-2-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-3H-pyrazol-3-ide-4-carbonitrile;platinum(2+)
• PubChem CID: 58444740
• Molecular Formula: C29H30N8Pt
• Molecular Weight: 685.69 g/mol
• Exact Mass: 685.22
• IUPAC Name: 5-tert-butyl-2-[6-[2-[6-(5-tert-butyl-4-cyano-3H-pyrazol-3-id-2-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-3H-pyrazol-3-ide-4-carbonitrile;platinum(2+)
• SMILES: CC(C)(C)c1nn(-c2cccc(C(C)(C)c3cccc(-n4[c-]c(C#N)c(C(C)(C)C)n4)n3)n2)[c-]c1C#N.[Pt+2]
• InChI: InChI=1S/C29H30N8.Pt/c1-27(2,3)25-19(15-30)17-36(34-25)23-13-9-11-21(32-23)29(7,8)22-12-10-14-24(33-22)37-18-20(16-31)26(35-37)28(4,5)6;/h9-14H,1-8H3;/q-2;+2
• InChIKey: IBLPXGUIKISMJJ-UHFFFAOYSA-N
• XLogP: 5.11
• TPSA: 109.00 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	685.69
LogP ≤ 5	5.11
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 5-tert-butyl-2-[6-[2-[6-(5-tert-butyl-4-cyano-3H-pyrazol-3-id-2-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-3H-pyrazol-3-ide-4-carbonitrile;platinum(2+)?

The IUPAC name of 5-tert-butyl-2-[6-[2-[6-(5-tert-butyl-4-cyano-3H-pyrazol-3-id-2-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-3H-pyrazol-3-ide-4-carbonitrile;platinum(2+) (CID 58444740) is 5-tert-butyl-2-[6-[2-[6-(5-tert-butyl-4-cyano-3H-pyrazol-3-id-2-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-3H-pyrazol-3-ide-4-carbonitrile;platinum(2+).

What is the SMILES notation for 5-tert-butyl-2-[6-[2-[6-(5-tert-butyl-4-cyano-3H-pyrazol-3-id-2-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-3H-pyrazol-3-ide-4-carbonitrile;platinum(2+)?

The canonical SMILES for 5-tert-butyl-2-[6-[2-[6-(5-tert-butyl-4-cyano-3H-pyrazol-3-id-2-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-3H-pyrazol-3-ide-4-carbonitrile;platinum(2+) is CC(C)(C)c1nn(-c2cccc(C(C)(C)c3cccc(-n4[c-]c(C#N)c(C(C)(C)C)n4)n3)n2)[c-]c1C#N.[Pt+2].

What is the InChIKey of 5-tert-butyl-2-[6-[2-[6-(5-tert-butyl-4-cyano-3H-pyrazol-3-id-2-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-3H-pyrazol-3-ide-4-carbonitrile;platinum(2+)?

The InChIKey is IBLPXGUIKISMJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N8.Pt/c1-27(2,3)25-19(15-30)17-36(34-25)23-13-9-11-21(32-23)29(7,8)22-12-10-14-24(33-22)37-18-20(16-31)26(35-37)28(4,5)6;/h9-14H,1-8H3;/q-2;+2.

What are the key properties of 5-tert-butyl-2-[6-[2-[6-(5-tert-butyl-4-cyano-3H-pyrazol-3-id-2-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-3H-pyrazol-3-ide-4-carbonitrile;platinum(2+)?

5-tert-butyl-2-[6-[2-[6-(5-tert-butyl-4-cyano-3H-pyrazol-3-id-2-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-3H-pyrazol-3-ide-4-carbonitrile;platinum(2+) has a molecular weight of 685.69 g/mol, XLogP of 5.11, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-tert-butyl-2-[6-[2-[6-(5-tert-butyl-4-cyano-3H-pyrazol-3-id-2-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-3H-pyrazol-3-ide-4-carbonitrile;platinum(2+) is sourced from PubChem (CID 58444740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).