(3aS,8bR)-2-[3-(3-quinolin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole;platinum(2+)

C31H20N2O2Pt — CID 170934757

About (3aS,8bR)-2-[3-(3-quinolin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole;platinum(2+)

(3aS,8bR)-2-[3-(3-quinolin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole;platinum(2+) (PubChem CID 170934757) has the molecular formula C31H20N2O2Pt and a molecular weight of 647.59 g/mol. Its IUPAC name is (3aS,8bR)-2-[3-(3-quinolin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole;platinum(2+).

Molecular Properties

• Compound Name: (3aS,8bR)-2-[3-(3-quinolin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole;platinum(2+)
• PubChem CID: 170934757
• Molecular Formula: C31H20N2O2Pt
• Molecular Weight: 647.59 g/mol
• Exact Mass: 647.12
• IUPAC Name: (3aS,8bR)-2-[3-(3-quinolin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole;platinum(2+)
• SMILES: [Pt+2].[c-]1c(Oc2[c-]c(-c3ccc4ccccc4n3)ccc2)cccc1C1=N[C@@H]2c3ccccc3C[C@@H]2O1
• InChI: InChI=1S/C31H20N2O2.Pt/c1-3-13-26-21(8-1)19-29-30(26)33-31(35-29)23-10-6-12-25(18-23)34-24-11-5-9-22(17-24)28-16-15-20-7-2-4-14-27(20)32-28;/h1-16,29-30H,19H2;/q-2;+2/t29-,30+;/m0./s1
• InChIKey: NDZGSPRKINOYJN-XCCPJCIBSA-N
• XLogP: 6.73
• TPSA: 43.71 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	647.59
LogP ≤ 5	6.73
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (3aS,8bR)-2-[3-(3-quinolin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole;platinum(2+)?

The IUPAC name of (3aS,8bR)-2-[3-(3-quinolin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole;platinum(2+) (CID 170934757) is (3aS,8bR)-2-[3-(3-quinolin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole;platinum(2+).

What is the SMILES notation for (3aS,8bR)-2-[3-(3-quinolin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole;platinum(2+)?

The canonical SMILES for (3aS,8bR)-2-[3-(3-quinolin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole;platinum(2+) is [Pt+2].[c-]1c(Oc2[c-]c(-c3ccc4ccccc4n3)ccc2)cccc1C1=N[C@@H]2c3ccccc3C[C@@H]2O1.

What is the InChIKey of (3aS,8bR)-2-[3-(3-quinolin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole;platinum(2+)?

The InChIKey is NDZGSPRKINOYJN-XCCPJCIBSA-N. The full InChI is InChI=1S/C31H20N2O2.Pt/c1-3-13-26-21(8-1)19-29-30(26)33-31(35-29)23-10-6-12-25(18-23)34-24-11-5-9-22(17-24)28-16-15-20-7-2-4-14-27(20)32-28;/h1-16,29-30H,19H2;/q-2;+2/t29-,30+;/m0./s1.

What are the key properties of (3aS,8bR)-2-[3-(3-quinolin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole;platinum(2+)?

(3aS,8bR)-2-[3-(3-quinolin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole;platinum(2+) has a molecular weight of 647.59 g/mol, XLogP of 6.73, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (3aS,8bR)-2-[3-(3-quinolin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole;platinum(2+) is sourced from PubChem (CID 170934757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).