chloroplatinum;2-[3-[3-(3-methylimidazole-1,3-diium-1-yl)benzene-2-id-1-yl]oxybenzene-2,6-diid-1-yl]-4-phenyl-3H-pyridin-3-ide;platinum(2+)

C27H16ClN3OPt2- — CID 168763355

About chloroplatinum;2-[3-[3-(3-methylimidazole-1,3-diium-1-yl)benzene-2-id-1-yl]oxybenzene-2,6-diid-1-yl]-4-phenyl-3H-pyridin-3-ide;platinum(2+)

chloroplatinum;2-[3-[3-(3-methylimidazole-1,3-diium-1-yl)benzene-2-id-1-yl]oxybenzene-2,6-diid-1-yl]-4-phenyl-3H-pyridin-3-ide;platinum(2+) (PubChem CID 168763355) has the molecular formula C27H16ClN3OPt2- and a molecular weight of 824.05 g/mol. Its IUPAC name is chloroplatinum;2-[3-[3-(3-methylimidazole-1,3-diium-1-yl)benzene-2-id-1-yl]oxybenzene-2,6-diid-1-yl]-4-phenyl-3H-pyridin-3-ide;platinum(2+).

Molecular Properties

• Compound Name: chloroplatinum;2-[3-[3-(3-methylimidazole-1,3-diium-1-yl)benzene-2-id-1-yl]oxybenzene-2,6-diid-1-yl]-4-phenyl-3H-pyridin-3-ide;platinum(2+)
• PubChem CID: 168763355
• Molecular Formula: C27H16ClN3OPt2-
• Molecular Weight: 824.05 g/mol
• Exact Mass: 823.03
• IUPAC Name: chloroplatinum;2-[3-[3-(3-methylimidazole-1,3-diium-1-yl)benzene-2-id-1-yl]oxybenzene-2,6-diid-1-yl]-4-phenyl-3H-pyridin-3-ide;platinum(2+)
• SMILES: C[N+]1=C=[N+](c2[c-]c(Oc3[c-]c(-c4[c-]c(-c5[c-]cccc5)ccn4)[c-]cc3)ccc2)C=C1.Cl[Pt].[Pt+2]
• InChI: InChI=1S/C27H16N3O.ClH.2Pt/c1-29-15-16-30(20-29)24-10-6-12-26(19-24)31-25-11-5-9-23(17-25)27-18-22(13-14-28-27)21-7-3-2-4-8-21;;;/h2-7,10-16H,1H3;1H;;/q-3;;+1;+2/p-1
• InChIKey: NEDHIBILIJWZHJ-UHFFFAOYSA-M
• XLogP: 5.84
• TPSA: 28.14 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	824.05
LogP ≤ 5	5.84
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of chloroplatinum;2-[3-[3-(3-methylimidazole-1,3-diium-1-yl)benzene-2-id-1-yl]oxybenzene-2,6-diid-1-yl]-4-phenyl-3H-pyridin-3-ide;platinum(2+)?

The IUPAC name of chloroplatinum;2-[3-[3-(3-methylimidazole-1,3-diium-1-yl)benzene-2-id-1-yl]oxybenzene-2,6-diid-1-yl]-4-phenyl-3H-pyridin-3-ide;platinum(2+) (CID 168763355) is chloroplatinum;2-[3-[3-(3-methylimidazole-1,3-diium-1-yl)benzene-2-id-1-yl]oxybenzene-2,6-diid-1-yl]-4-phenyl-3H-pyridin-3-ide;platinum(2+).

What is the SMILES notation for chloroplatinum;2-[3-[3-(3-methylimidazole-1,3-diium-1-yl)benzene-2-id-1-yl]oxybenzene-2,6-diid-1-yl]-4-phenyl-3H-pyridin-3-ide;platinum(2+)?

The canonical SMILES for chloroplatinum;2-[3-[3-(3-methylimidazole-1,3-diium-1-yl)benzene-2-id-1-yl]oxybenzene-2,6-diid-1-yl]-4-phenyl-3H-pyridin-3-ide;platinum(2+) is C[N+]1=C=[N+](c2[c-]c(Oc3[c-]c(-c4[c-]c(-c5[c-]cccc5)ccn4)[c-]cc3)ccc2)C=C1.Cl[Pt].[Pt+2].

What is the InChIKey of chloroplatinum;2-[3-[3-(3-methylimidazole-1,3-diium-1-yl)benzene-2-id-1-yl]oxybenzene-2,6-diid-1-yl]-4-phenyl-3H-pyridin-3-ide;platinum(2+)?

The InChIKey is NEDHIBILIJWZHJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C27H16N3O.ClH.2Pt/c1-29-15-16-30(20-29)24-10-6-12-26(19-24)31-25-11-5-9-23(17-25)27-18-22(13-14-28-27)21-7-3-2-4-8-21;;;/h2-7,10-16H,1H3;1H;;/q-3;;+1;+2/p-1.

What are the key properties of chloroplatinum;2-[3-[3-(3-methylimidazole-1,3-diium-1-yl)benzene-2-id-1-yl]oxybenzene-2,6-diid-1-yl]-4-phenyl-3H-pyridin-3-ide;platinum(2+)?

chloroplatinum;2-[3-[3-(3-methylimidazole-1,3-diium-1-yl)benzene-2-id-1-yl]oxybenzene-2,6-diid-1-yl]-4-phenyl-3H-pyridin-3-ide;platinum(2+) has a molecular weight of 824.05 g/mol, XLogP of 5.84, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for chloroplatinum;2-[3-[3-(3-methylimidazole-1,3-diium-1-yl)benzene-2-id-1-yl]oxybenzene-2,6-diid-1-yl]-4-phenyl-3H-pyridin-3-ide;platinum(2+) is sourced from PubChem (CID 168763355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).