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

C30H18F3N2OPPt — CID 153421262

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

2-[3-[5-(4-methyl-2-pyridinyl)-4H-benzo[b]phosphindol-4-id-3-yl]benzene-2-id-1-yl]oxy-4-(trifluoromethyl)pyridine;platinum(2+) (PubChem CID 153421262) has the molecular formula C30H18F3N2OPPt and a molecular weight of 705.53 g/mol. Its IUPAC name is 2-[3-[5-(4-methyl-2-pyridinyl)-4H-benzo[b]phosphindol-4-id-3-yl]benzene-2-id-1-yl]oxy-4-(trifluoromethyl)pyridine;platinum(2+).

Molecular Properties

• Compound Name: 2-[3-[5-(4-methyl-2-pyridinyl)-4H-benzo[b]phosphindol-4-id-3-yl]benzene-2-id-1-yl]oxy-4-(trifluoromethyl)pyridine;platinum(2+)
• PubChem CID: 153421262
• Molecular Formula: C30H18F3N2OPPt
• Molecular Weight: 705.53 g/mol
• Exact Mass: 705.08
• IUPAC Name: 2-[3-[5-(4-methyl-2-pyridinyl)-4H-benzo[b]phosphindol-4-id-3-yl]benzene-2-id-1-yl]oxy-4-(trifluoromethyl)pyridine;platinum(2+)
• SMILES: Cc1ccnc(-p2c3[c-]c(-c4[c-]c(Oc5cc(C(F)(F)F)ccn5)ccc4)ccc3c3ccccc32)c1.[Pt+2]
• InChI: InChI=1S/C30H18F3N2OP.Pt/c1-19-11-13-35-29(15-19)37-26-8-3-2-7-24(26)25-10-9-21(17-27(25)37)20-5-4-6-23(16-20)36-28-18-22(12-14-34-28)30(31,32)33;/h2-15,18H,1H3;/q-2;+2
• InChIKey: VORWBFZTWQDKFT-UHFFFAOYSA-N
• XLogP: 9.14
• TPSA: 35.01 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	705.53
LogP ≤ 5	9.14
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 2-[3-[5-(4-methyl-2-pyridinyl)-4H-benzo[b]phosphindol-4-id-3-yl]benzene-2-id-1-yl]oxy-4-(trifluoromethyl)pyridine;platinum(2+)?

The IUPAC name of 2-[3-[5-(4-methyl-2-pyridinyl)-4H-benzo[b]phosphindol-4-id-3-yl]benzene-2-id-1-yl]oxy-4-(trifluoromethyl)pyridine;platinum(2+) (CID 153421262) is 2-[3-[5-(4-methyl-2-pyridinyl)-4H-benzo[b]phosphindol-4-id-3-yl]benzene-2-id-1-yl]oxy-4-(trifluoromethyl)pyridine;platinum(2+).

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

The canonical SMILES for 2-[3-[5-(4-methyl-2-pyridinyl)-4H-benzo[b]phosphindol-4-id-3-yl]benzene-2-id-1-yl]oxy-4-(trifluoromethyl)pyridine;platinum(2+) is Cc1ccnc(-p2c3[c-]c(-c4[c-]c(Oc5cc(C(F)(F)F)ccn5)ccc4)ccc3c3ccccc32)c1.[Pt+2].

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

The InChIKey is VORWBFZTWQDKFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H18F3N2OP.Pt/c1-19-11-13-35-29(15-19)37-26-8-3-2-7-24(26)25-10-9-21(17-27(25)37)20-5-4-6-23(16-20)36-28-18-22(12-14-34-28)30(31,32)33;/h2-15,18H,1H3;/q-2;+2.

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

2-[3-[5-(4-methyl-2-pyridinyl)-4H-benzo[b]phosphindol-4-id-3-yl]benzene-2-id-1-yl]oxy-4-(trifluoromethyl)pyridine;platinum(2+) has a molecular weight of 705.53 g/mol, XLogP of 9.14, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[5-(4-methyl-2-pyridinyl)-4H-benzo[b]phosphindol-4-id-3-yl]benzene-2-id-1-yl]oxy-4-(trifluoromethyl)pyridine;platinum(2+) is sourced from PubChem (CID 153421262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).