3-methyl-2-[3-[5-(4-methyl-2-pyridinyl)-4H-benzo[b][1]benzobismol-4-id-3-yl]benzene-2-id-1-yl]oxypyridine;platinum(2+)

C₃₀H₂₁BiN₂OPt — CID 153421006

About 3-methyl-2-[3-[5-(4-methyl-2-pyridinyl)-4H-benzo[b][1]benzobismol-4-id-3-yl]benzene-2-id-1-yl]oxypyridine;platinum(2+)

3-methyl-2-[3-[5-(4-methyl-2-pyridinyl)-4H-benzo[b][1]benzobismol-4-id-3-yl]benzene-2-id-1-yl]oxypyridine;platinum(2+) (PubChem CID 153421006) has the molecular formula C₃₀H₂₁BiN₂OPt and a molecular weight of 829.57 g/mol. Its IUPAC name is 3-methyl-2-[3-[5-(4-methyl-2-pyridinyl)-4H-benzo[b][1]benzobismol-4-id-3-yl]benzene-2-id-1-yl]oxypyridine;platinum(2+).

Molecular Properties

• Compound Name: 3-methyl-2-[3-[5-(4-methyl-2-pyridinyl)-4H-benzo[b][1]benzobismol-4-id-3-yl]benzene-2-id-1-yl]oxypyridine;platinum(2+)
• PubChem CID: 153421006
• Molecular Formula: C₃₀H₂₁BiN₂OPt
• Molecular Weight: 829.57 g/mol
• Exact Mass: 829.11
• IUPAC Name: 3-methyl-2-[3-[5-(4-methyl-2-pyridinyl)-4H-benzo[b][1]benzobismol-4-id-3-yl]benzene-2-id-1-yl]oxypyridine;platinum(2+)
• SMILES: Cc1ccnc([Bi]2c3[c-]c(-c4[c-]c(Oc5ncccc5C)ccc4)ccc3-c3ccccc32)c1.[Pt+2]
• InChI: InChI=1S/C24H15NO.C6H6N.Bi.Pt/c1-18-7-6-16-25-24(18)26-23-11-5-10-22(17-23)21-14-12-20(13-15-21)19-8-3-2-4-9-19;1-6-2-4-7-5-3-6;;/h2-8,10-12,14,16H,1H3;2-4H,1H3;;/q-2;;;+2
• InChIKey: MHGIJQRYVOHBJR-UHFFFAOYSA-N
• XLogP: 4.65
• TPSA: 35.01 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	829.57
LogP ≤ 5	4.65
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 3-methyl-2-[3-[5-(4-methyl-2-pyridinyl)-4H-benzo[b][1]benzobismol-4-id-3-yl]benzene-2-id-1-yl]oxypyridine;platinum(2+)?

The IUPAC name of 3-methyl-2-[3-[5-(4-methyl-2-pyridinyl)-4H-benzo[b][1]benzobismol-4-id-3-yl]benzene-2-id-1-yl]oxypyridine;platinum(2+) (CID 153421006) is 3-methyl-2-[3-[5-(4-methyl-2-pyridinyl)-4H-benzo[b][1]benzobismol-4-id-3-yl]benzene-2-id-1-yl]oxypyridine;platinum(2+).

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

The canonical SMILES for 3-methyl-2-[3-[5-(4-methyl-2-pyridinyl)-4H-benzo[b][1]benzobismol-4-id-3-yl]benzene-2-id-1-yl]oxypyridine;platinum(2+) is Cc1ccnc([Bi]2c3[c-]c(-c4[c-]c(Oc5ncccc5C)ccc4)ccc3-c3ccccc32)c1.[Pt+2].

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

The InChIKey is MHGIJQRYVOHBJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15NO.C6H6N.Bi.Pt/c1-18-7-6-16-25-24(18)26-23-11-5-10-22(17-23)21-14-12-20(13-15-21)19-8-3-2-4-9-19;1-6-2-4-7-5-3-6;;/h2-8,10-12,14,16H,1H3;2-4H,1H3;;/q-2;;;+2.

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

3-methyl-2-[3-[5-(4-methyl-2-pyridinyl)-4H-benzo[b][1]benzobismol-4-id-3-yl]benzene-2-id-1-yl]oxypyridine;platinum(2+) has a molecular weight of 829.57 g/mol, XLogP of 4.65, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3-methyl-2-[3-[5-(4-methyl-2-pyridinyl)-4H-benzo[b][1]benzobismol-4-id-3-yl]benzene-2-id-1-yl]oxypyridine;platinum(2+) is sourced from PubChem (CID 153421006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 153421006 — identifiers, structure, computed properties (public domain)

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