4-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 153421150

About 4-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+)

4-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 153421150) has the molecular formula C30H21BiN2OPt and a molecular weight of 829.57 g/mol. Its IUPAC name is 4-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: 4-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: 153421150
• Molecular Formula: C30H21BiN2OPt
• Molecular Weight: 829.57 g/mol
• Exact Mass: 829.11
• IUPAC Name: 4-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(Oc2[c-]c(-c3[c-]c4c(cc3)-c3ccccc3[Bi]4c3cc(C)ccn3)ccc2)c1.[Pt+2]
• InChI: InChI=1S/C24H15NO.C6H6N.Bi.Pt/c1-18-14-15-25-24(16-18)26-23-9-5-8-22(17-23)21-12-10-20(11-13-21)19-6-3-2-4-7-19;1-6-2-4-7-5-3-6;;/h2-6,8-10,12,14-16H,1H3;2-4H,1H3;;/q-2;;;+2
• InChIKey: WRUSHWOBSFLJOX-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 4-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 4-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 153421150) is 4-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 4-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 4-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(Oc2[c-]c(-c3[c-]c4c(cc3)-c3ccccc3[Bi]4c3cc(C)ccn3)ccc2)c1.[Pt+2].

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

What are the key properties of 4-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+)?

4-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 4-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 153421150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).