5-(5-deuterio-2-pyridinyl)-3-(3-pyridin-2-yloxybenzene-2-id-1-yl)-4H-benzo[b]phosphindol-4-ide 5-oxide;platinum(2+)

C28H17N2O2PPt — CID 153421804

About 5-(5-deuterio-2-pyridinyl)-3-(3-pyridin-2-yloxybenzene-2-id-1-yl)-4H-benzo[b]phosphindol-4-ide 5-oxide;platinum(2+)

5-(5-deuterio-2-pyridinyl)-3-(3-pyridin-2-yloxybenzene-2-id-1-yl)-4H-benzo[b]phosphindol-4-ide 5-oxide;platinum(2+) (PubChem CID 153421804) has the molecular formula C28H17N2O2PPt and a molecular weight of 640.51 g/mol. Its IUPAC name is 5-(5-deuterio-2-pyridinyl)-3-(3-pyridin-2-yloxybenzene-2-id-1-yl)-4H-benzo[b]phosphindol-4-ide 5-oxide;platinum(2+).

Molecular Properties

• Compound Name: 5-(5-deuterio-2-pyridinyl)-3-(3-pyridin-2-yloxybenzene-2-id-1-yl)-4H-benzo[b]phosphindol-4-ide 5-oxide;platinum(2+)
• PubChem CID: 153421804
• Molecular Formula: C28H17N2O2PPt
• Molecular Weight: 640.51 g/mol
• Exact Mass: 640.07
• IUPAC Name: 5-(5-deuterio-2-pyridinyl)-3-(3-pyridin-2-yloxybenzene-2-id-1-yl)-4H-benzo[b]phosphindol-4-ide 5-oxide;platinum(2+)
• SMILES: [2H]c1ccc(P2(=O)c3[c-]c(-c4[c-]c(Oc5ccccn5)ccc4)ccc3-c3ccccc32)nc1.[Pt+2]
• InChI: InChI=1S/C28H17N2O2P.Pt/c31-33(28-13-4-6-17-30-28)25-11-2-1-10-23(25)24-15-14-21(19-26(24)33)20-8-7-9-22(18-20)32-27-12-3-5-16-29-27;/h1-17H;/q-2;+2/i6D
• InChIKey: OKWFBKOAFCSHGN-FNZLVDGMSA-N
• XLogP: 5.15
• TPSA: 52.08 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	640.51
LogP ≤ 5	5.15
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-(5-deuterio-2-pyridinyl)-3-(3-pyridin-2-yloxybenzene-2-id-1-yl)-4H-benzo[b]phosphindol-4-ide 5-oxide;platinum(2+)?

The IUPAC name of 5-(5-deuterio-2-pyridinyl)-3-(3-pyridin-2-yloxybenzene-2-id-1-yl)-4H-benzo[b]phosphindol-4-ide 5-oxide;platinum(2+) (CID 153421804) is 5-(5-deuterio-2-pyridinyl)-3-(3-pyridin-2-yloxybenzene-2-id-1-yl)-4H-benzo[b]phosphindol-4-ide 5-oxide;platinum(2+).

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

The canonical SMILES for 5-(5-deuterio-2-pyridinyl)-3-(3-pyridin-2-yloxybenzene-2-id-1-yl)-4H-benzo[b]phosphindol-4-ide 5-oxide;platinum(2+) is [2H]c1ccc(P2(=O)c3[c-]c(-c4[c-]c(Oc5ccccn5)ccc4)ccc3-c3ccccc32)nc1.[Pt+2].

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

The InChIKey is OKWFBKOAFCSHGN-FNZLVDGMSA-N. The full InChI is InChI=1S/C28H17N2O2P.Pt/c31-33(28-13-4-6-17-30-28)25-11-2-1-10-23(25)24-15-14-21(19-26(24)33)20-8-7-9-22(18-20)32-27-12-3-5-16-29-27;/h1-17H;/q-2;+2/i6D;.

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

5-(5-deuterio-2-pyridinyl)-3-(3-pyridin-2-yloxybenzene-2-id-1-yl)-4H-benzo[b]phosphindol-4-ide 5-oxide;platinum(2+) has a molecular weight of 640.51 g/mol, XLogP of 5.15, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(5-deuterio-2-pyridinyl)-3-(3-pyridin-2-yloxybenzene-2-id-1-yl)-4H-benzo[b]phosphindol-4-ide 5-oxide;platinum(2+) is sourced from PubChem (CID 153421804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).