10-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]-5-phenyl-2-pyridin-2-yloxy-1H-phenophosphazinin-1-ide;platinum

C33H24N4OPPt-3 — CID 153495013

About 10-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]-5-phenyl-2-pyridin-2-yloxy-1H-phenophosphazinin-1-ide;platinum

10-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]-5-phenyl-2-pyridin-2-yloxy-1H-phenophosphazinin-1-ide;platinum (PubChem CID 153495013) has the molecular formula C33H24N4OPPt-3 and a molecular weight of 718.63 g/mol. Its IUPAC name is 10-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]-5-phenyl-2-pyridin-2-yloxy-1H-phenophosphazinin-1-ide;platinum.

Molecular Properties

• Compound Name: 10-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]-5-phenyl-2-pyridin-2-yloxy-1H-phenophosphazinin-1-ide;platinum
• PubChem CID: 153495013
• Molecular Formula: C33H24N4OPPt-3
• Molecular Weight: 718.63 g/mol
• Exact Mass: 718.14
• IUPAC Name: 10-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]-5-phenyl-2-pyridin-2-yloxy-1H-phenophosphazinin-1-ide;platinum
• SMILES: CN1C=CN(c2[c-]c(P3c4[c-]c(Oc5ccccn5)ccc4N(c4ccccc4)c4ccccc43)ccc2)[CH-]1.[Pt]
• InChI: InChI=1S/C33H24N4OP.Pt/c1-35-20-21-36(24-35)26-12-9-13-28(22-26)39-31-15-6-5-14-29(31)37(25-10-3-2-4-11-25)30-18-17-27(23-32(30)39)38-33-16-7-8-19-34-33;/h2-21,24H,1H3;/q-3
• InChIKey: VKMWWMJVSJPFLX-UHFFFAOYSA-N
• XLogP: 6.36
• TPSA: 31.84 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	718.63
LogP ≤ 5	6.36
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 10-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]-5-phenyl-2-pyridin-2-yloxy-1H-phenophosphazinin-1-ide;platinum?

The IUPAC name of 10-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]-5-phenyl-2-pyridin-2-yloxy-1H-phenophosphazinin-1-ide;platinum (CID 153495013) is 10-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]-5-phenyl-2-pyridin-2-yloxy-1H-phenophosphazinin-1-ide;platinum.

What is the SMILES notation for 10-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]-5-phenyl-2-pyridin-2-yloxy-1H-phenophosphazinin-1-ide;platinum?

The canonical SMILES for 10-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]-5-phenyl-2-pyridin-2-yloxy-1H-phenophosphazinin-1-ide;platinum is CN1C=CN(c2[c-]c(P3c4[c-]c(Oc5ccccn5)ccc4N(c4ccccc4)c4ccccc43)ccc2)[CH-]1.[Pt].

What is the InChIKey of 10-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]-5-phenyl-2-pyridin-2-yloxy-1H-phenophosphazinin-1-ide;platinum?

The InChIKey is VKMWWMJVSJPFLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H24N4OP.Pt/c1-35-20-21-36(24-35)26-12-9-13-28(22-26)39-31-15-6-5-14-29(31)37(25-10-3-2-4-11-25)30-18-17-27(23-32(30)39)38-33-16-7-8-19-34-33;/h2-21,24H,1H3;/q-3;.

What are the key properties of 10-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]-5-phenyl-2-pyridin-2-yloxy-1H-phenophosphazinin-1-ide;platinum?

10-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]-5-phenyl-2-pyridin-2-yloxy-1H-phenophosphazinin-1-ide;platinum has a molecular weight of 718.63 g/mol, XLogP of 6.36, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 10-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]-5-phenyl-2-pyridin-2-yloxy-1H-phenophosphazinin-1-ide;platinum is sourced from PubChem (CID 153495013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).