5-(4-methyl-2-pyridinyl)-3-[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]benzene-2-id-1-yl]-4H-benzo[b]phosphindol-4-ide 5-oxide;platinum(2+)

C30H18F3N2O2PPt — CID 153421371

About 5-(4-methyl-2-pyridinyl)-3-[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]benzene-2-id-1-yl]-4H-benzo[b]phosphindol-4-ide 5-oxide;platinum(2+)

5-(4-methyl-2-pyridinyl)-3-[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]benzene-2-id-1-yl]-4H-benzo[b]phosphindol-4-ide 5-oxide;platinum(2+) (PubChem CID 153421371) has the molecular formula C30H18F3N2O2PPt and a molecular weight of 721.53 g/mol. Its IUPAC name is 5-(4-methyl-2-pyridinyl)-3-[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]benzene-2-id-1-yl]-4H-benzo[b]phosphindol-4-ide 5-oxide;platinum(2+).

Molecular Properties

• Compound Name: 5-(4-methyl-2-pyridinyl)-3-[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]benzene-2-id-1-yl]-4H-benzo[b]phosphindol-4-ide 5-oxide;platinum(2+)
• PubChem CID: 153421371
• Molecular Formula: C30H18F3N2O2PPt
• Molecular Weight: 721.53 g/mol
• Exact Mass: 721.07
• IUPAC Name: 5-(4-methyl-2-pyridinyl)-3-[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]benzene-2-id-1-yl]-4H-benzo[b]phosphindol-4-ide 5-oxide;platinum(2+)
• SMILES: Cc1ccnc(P2(=O)c3[c-]c(-c4[c-]c(Oc5cc(C(F)(F)F)ccn5)ccc4)ccc3-c3ccccc32)c1.[Pt+2]
• InChI: InChI=1S/C30H18F3N2O2P.Pt/c1-19-11-13-35-29(15-19)38(36)26-8-3-2-7-24(26)25-10-9-21(17-27(25)38)20-5-4-6-23(16-20)37-28-18-22(12-14-34-28)30(31,32)33;/h2-15,18H,1H3;/q-2;+2
• InChIKey: VTFRXVHEDIRKMD-UHFFFAOYSA-N
• XLogP: 6.48
• TPSA: 52.08 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	721.53
LogP ≤ 5	6.48
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

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 5-(4-methyl-2-pyridinyl)-3-[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]benzene-2-id-1-yl]-4H-benzo[b]phosphindol-4-ide 5-oxide;platinum(2+)?

The IUPAC name of 5-(4-methyl-2-pyridinyl)-3-[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]benzene-2-id-1-yl]-4H-benzo[b]phosphindol-4-ide 5-oxide;platinum(2+) (CID 153421371) is 5-(4-methyl-2-pyridinyl)-3-[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]benzene-2-id-1-yl]-4H-benzo[b]phosphindol-4-ide 5-oxide;platinum(2+).

What is the SMILES notation for 5-(4-methyl-2-pyridinyl)-3-[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]benzene-2-id-1-yl]-4H-benzo[b]phosphindol-4-ide 5-oxide;platinum(2+)?

The canonical SMILES for 5-(4-methyl-2-pyridinyl)-3-[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]benzene-2-id-1-yl]-4H-benzo[b]phosphindol-4-ide 5-oxide;platinum(2+) is Cc1ccnc(P2(=O)c3[c-]c(-c4[c-]c(Oc5cc(C(F)(F)F)ccn5)ccc4)ccc3-c3ccccc32)c1.[Pt+2].

What is the InChIKey of 5-(4-methyl-2-pyridinyl)-3-[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]benzene-2-id-1-yl]-4H-benzo[b]phosphindol-4-ide 5-oxide;platinum(2+)?

The InChIKey is VTFRXVHEDIRKMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H18F3N2O2P.Pt/c1-19-11-13-35-29(15-19)38(36)26-8-3-2-7-24(26)25-10-9-21(17-27(25)38)20-5-4-6-23(16-20)37-28-18-22(12-14-34-28)30(31,32)33;/h2-15,18H,1H3;/q-2;+2.

What are the key properties of 5-(4-methyl-2-pyridinyl)-3-[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]benzene-2-id-1-yl]-4H-benzo[b]phosphindol-4-ide 5-oxide;platinum(2+)?

5-(4-methyl-2-pyridinyl)-3-[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]benzene-2-id-1-yl]-4H-benzo[b]phosphindol-4-ide 5-oxide;platinum(2+) has a molecular weight of 721.53 g/mol, XLogP of 6.48, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(4-methyl-2-pyridinyl)-3-[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]benzene-2-id-1-yl]-4H-benzo[b]phosphindol-4-ide 5-oxide;platinum(2+) is sourced from PubChem (CID 153421371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).