platinum(2+);2-[3-[3-[2-(4H-pyridin-4-id-3-yl)propan-2-yl]phenyl]-5-(trifluoromethyl)benzene-2-id-1-yl]-6-pyridin-2-ylpyridine

C31H22F3N3Pt — CID 59342306

About platinum(2+);2-[3-[3-[2-(4H-pyridin-4-id-3-yl)propan-2-yl]phenyl]-5-(trifluoromethyl)benzene-2-id-1-yl]-6-pyridin-2-ylpyridine

platinum(2+);2-[3-[3-[2-(4H-pyridin-4-id-3-yl)propan-2-yl]phenyl]-5-(trifluoromethyl)benzene-2-id-1-yl]-6-pyridin-2-ylpyridine (PubChem CID 59342306) has the molecular formula C31H22F3N3Pt and a molecular weight of 688.61 g/mol. Its IUPAC name is platinum(2+);2-[3-[3-[2-(4H-pyridin-4-id-3-yl)propan-2-yl]phenyl]-5-(trifluoromethyl)benzene-2-id-1-yl]-6-pyridin-2-ylpyridine.

Molecular Properties

• Compound Name: platinum(2+);2-[3-[3-[2-(4H-pyridin-4-id-3-yl)propan-2-yl]phenyl]-5-(trifluoromethyl)benzene-2-id-1-yl]-6-pyridin-2-ylpyridine
• PubChem CID: 59342306
• Molecular Formula: C31H22F3N3Pt
• Molecular Weight: 688.61 g/mol
• Exact Mass: 688.14
• IUPAC Name: platinum(2+);2-[3-[3-[2-(4H-pyridin-4-id-3-yl)propan-2-yl]phenyl]-5-(trifluoromethyl)benzene-2-id-1-yl]-6-pyridin-2-ylpyridine
• SMILES: CC(C)(c1[c-]ccnc1)c1cccc(-c2[c-]c(-c3cccc(-c4ccccn4)n3)cc(C(F)(F)F)c2)c1.[Pt+2]
• InChI: InChI=1S/C31H22F3N3.Pt/c1-30(2,25-10-7-14-35-20-25)24-9-5-8-21(17-24)22-16-23(19-26(18-22)31(32,33)34)27-12-6-13-29(37-27)28-11-3-4-15-36-28;/h3-9,11-15,17-20H,1-2H3;/q-2;+2
• InChIKey: OJHJRRFATXOTKJ-UHFFFAOYSA-N
• XLogP: 7.82
• TPSA: 38.67 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	688.61
LogP ≤ 5	7.82
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

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-[3-[2-(4H-pyridin-4-id-3-yl)propan-2-yl]phenyl]-5-(trifluoromethyl)benzene-2-id-1-yl]-6-pyridin-2-ylpyridine?

The IUPAC name of platinum(2+);2-[3-[3-[2-(4H-pyridin-4-id-3-yl)propan-2-yl]phenyl]-5-(trifluoromethyl)benzene-2-id-1-yl]-6-pyridin-2-ylpyridine (CID 59342306) is platinum(2+);2-[3-[3-[2-(4H-pyridin-4-id-3-yl)propan-2-yl]phenyl]-5-(trifluoromethyl)benzene-2-id-1-yl]-6-pyridin-2-ylpyridine.

What is the SMILES notation for platinum(2+);2-[3-[3-[2-(4H-pyridin-4-id-3-yl)propan-2-yl]phenyl]-5-(trifluoromethyl)benzene-2-id-1-yl]-6-pyridin-2-ylpyridine?

The canonical SMILES for platinum(2+);2-[3-[3-[2-(4H-pyridin-4-id-3-yl)propan-2-yl]phenyl]-5-(trifluoromethyl)benzene-2-id-1-yl]-6-pyridin-2-ylpyridine is CC(C)(c1[c-]ccnc1)c1cccc(-c2[c-]c(-c3cccc(-c4ccccn4)n3)cc(C(F)(F)F)c2)c1.[Pt+2].

What is the InChIKey of platinum(2+);2-[3-[3-[2-(4H-pyridin-4-id-3-yl)propan-2-yl]phenyl]-5-(trifluoromethyl)benzene-2-id-1-yl]-6-pyridin-2-ylpyridine?

The InChIKey is OJHJRRFATXOTKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H22F3N3.Pt/c1-30(2,25-10-7-14-35-20-25)24-9-5-8-21(17-24)22-16-23(19-26(18-22)31(32,33)34)27-12-6-13-29(37-27)28-11-3-4-15-36-28;/h3-9,11-15,17-20H,1-2H3;/q-2;+2.

What are the key properties of platinum(2+);2-[3-[3-[2-(4H-pyridin-4-id-3-yl)propan-2-yl]phenyl]-5-(trifluoromethyl)benzene-2-id-1-yl]-6-pyridin-2-ylpyridine?

platinum(2+);2-[3-[3-[2-(4H-pyridin-4-id-3-yl)propan-2-yl]phenyl]-5-(trifluoromethyl)benzene-2-id-1-yl]-6-pyridin-2-ylpyridine has a molecular weight of 688.61 g/mol, XLogP of 7.82, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for platinum(2+);2-[3-[3-[2-(4H-pyridin-4-id-3-yl)propan-2-yl]phenyl]-5-(trifluoromethyl)benzene-2-id-1-yl]-6-pyridin-2-ylpyridine is sourced from PubChem (CID 59342306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).