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

C28H17BiN2OPt — CID 153421520

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

3-deuterio-2-[3-(5-pyridin-2-yl-4H-benzo[b][1]benzobismol-4-id-3-yl)benzene-2-id-1-yl]oxypyridine;platinum(2+) (PubChem CID 153421520) has the molecular formula C28H17BiN2OPt and a molecular weight of 802.52 g/mol. Its IUPAC name is 3-deuterio-2-[3-(5-pyridin-2-yl-4H-benzo[b][1]benzobismol-4-id-3-yl)benzene-2-id-1-yl]oxypyridine;platinum(2+).

Molecular Properties

• Compound Name: 3-deuterio-2-[3-(5-pyridin-2-yl-4H-benzo[b][1]benzobismol-4-id-3-yl)benzene-2-id-1-yl]oxypyridine;platinum(2+)
• PubChem CID: 153421520
• Molecular Formula: C28H17BiN2OPt
• Molecular Weight: 802.52 g/mol
• Exact Mass: 802.09
• IUPAC Name: 3-deuterio-2-[3-(5-pyridin-2-yl-4H-benzo[b][1]benzobismol-4-id-3-yl)benzene-2-id-1-yl]oxypyridine;platinum(2+)
• SMILES: [2H]c1cccnc1Oc1[c-]c(-c2[c-]c3c(cc2)-c2ccccc2[Bi]3c2ccccn2)ccc1.[Pt+2]
• InChI: InChI=1S/C23H13NO.C5H4N.Bi.Pt/c1-2-7-18(8-3-1)19-12-14-20(15-13-19)21-9-6-10-22(17-21)25-23-11-4-5-16-24-23;1-2-4-6-5-3-1;;/h1-7,9-12,14,16H;1-4H;;/q-2;;;+2/i11D
• InChIKey: FKEXOIYUVKJZQO-IRSALVBCSA-N
• XLogP: 4.03
• TPSA: 35.01 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	802.52
LogP ≤ 5	4.03
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-deuterio-2-[3-(5-pyridin-2-yl-4H-benzo[b][1]benzobismol-4-id-3-yl)benzene-2-id-1-yl]oxypyridine;platinum(2+)?

The IUPAC name of 3-deuterio-2-[3-(5-pyridin-2-yl-4H-benzo[b][1]benzobismol-4-id-3-yl)benzene-2-id-1-yl]oxypyridine;platinum(2+) (CID 153421520) is 3-deuterio-2-[3-(5-pyridin-2-yl-4H-benzo[b][1]benzobismol-4-id-3-yl)benzene-2-id-1-yl]oxypyridine;platinum(2+).

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

The canonical SMILES for 3-deuterio-2-[3-(5-pyridin-2-yl-4H-benzo[b][1]benzobismol-4-id-3-yl)benzene-2-id-1-yl]oxypyridine;platinum(2+) is [2H]c1cccnc1Oc1[c-]c(-c2[c-]c3c(cc2)-c2ccccc2[Bi]3c2ccccn2)ccc1.[Pt+2].

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

The InChIKey is FKEXOIYUVKJZQO-IRSALVBCSA-N. The full InChI is InChI=1S/C23H13NO.C5H4N.Bi.Pt/c1-2-7-18(8-3-1)19-12-14-20(15-13-19)21-9-6-10-22(17-21)25-23-11-4-5-16-24-23;1-2-4-6-5-3-1;;/h1-7,9-12,14,16H;1-4H;;/q-2;;;+2/i11D;;;.

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

3-deuterio-2-[3-(5-pyridin-2-yl-4H-benzo[b][1]benzobismol-4-id-3-yl)benzene-2-id-1-yl]oxypyridine;platinum(2+) has a molecular weight of 802.52 g/mol, XLogP of 4.03, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3-deuterio-2-[3-(5-pyridin-2-yl-4H-benzo[b][1]benzobismol-4-id-3-yl)benzene-2-id-1-yl]oxypyridine;platinum(2+) is sourced from PubChem (CID 153421520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).