(4R)-2-[3-[3-(5,5-dimethylbenzo[b][1,8]naphthyridin-10-yl)-5-methylbenzene-2-id-1-yl]oxy-5-phenylbenzene-2-id-1-yl]-4-(2,4-dimethylpentan-3-yl)-4,5-dihydro-1,3-oxazole;platinum(2+)

C43H43N3O2Pt — CID 170932360

About (4R)-2-[3-[3-(5,5-dimethylbenzo[b][1,8]naphthyridin-10-yl)-5-methylbenzene-2-id-1-yl]oxy-5-phenylbenzene-2-id-1-yl]-4-(2,4-dimethylpentan-3-yl)-4,5-dihydro-1,3-oxazole;platinum(2+)

(4R)-2-[3-[3-(5,5-dimethylbenzo[b][1,8]naphthyridin-10-yl)-5-methylbenzene-2-id-1-yl]oxy-5-phenylbenzene-2-id-1-yl]-4-(2,4-dimethylpentan-3-yl)-4,5-dihydro-1,3-oxazole;platinum(2+) (PubChem CID 170932360) has the molecular formula C43H43N3O2Pt and a molecular weight of 828.91 g/mol. Its IUPAC name is (4R)-2-[3-[3-(5,5-dimethylbenzo[b][1,8]naphthyridin-10-yl)-5-methylbenzene-2-id-1-yl]oxy-5-phenylbenzene-2-id-1-yl]-4-(2,4-dimethylpentan-3-yl)-4,5-dihydro-1,3-oxazole;platinum(2+).

Molecular Properties

• Compound Name: (4R)-2-[3-[3-(5,5-dimethylbenzo[b][1,8]naphthyridin-10-yl)-5-methylbenzene-2-id-1-yl]oxy-5-phenylbenzene-2-id-1-yl]-4-(2,4-dimethylpentan-3-yl)-4,5-dihydro-1,3-oxazole;platinum(2+)
• PubChem CID: 170932360
• Molecular Formula: C43H43N3O2Pt
• Molecular Weight: 828.91 g/mol
• Exact Mass: 828.30
• IUPAC Name: (4R)-2-[3-[3-(5,5-dimethylbenzo[b][1,8]naphthyridin-10-yl)-5-methylbenzene-2-id-1-yl]oxy-5-phenylbenzene-2-id-1-yl]-4-(2,4-dimethylpentan-3-yl)-4,5-dihydro-1,3-oxazole;platinum(2+)
• SMILES: Cc1cc(Oc2[c-]c(C3=N[C@H](C(C(C)C)C(C)C)CO3)cc(-c3ccccc3)c2)[c-]c(N2c3ccccc3C(C)(C)c3cccnc32)c1.[Pt+2]
• InChI: InChI=1S/C43H43N3O2.Pt/c1-27(2)40(28(3)4)38-26-47-42(45-38)32-22-31(30-14-9-8-10-15-30)23-35(24-32)48-34-21-29(5)20-33(25-34)46-39-18-12-11-16-36(39)43(6,7)37-17-13-19-44-41(37)46;/h8-23,27-28,38,40H,26H2,1-7H3;/q-2;+2/t38-;/m0./s1
• InChIKey: XOMXPPQRAXZLCW-KYYDUREMSA-N
• XLogP: 10.63
• TPSA: 46.95 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	828.91
LogP ≤ 5	10.63
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (4R)-2-[3-[3-(5,5-dimethylbenzo[b][1,8]naphthyridin-10-yl)-5-methylbenzene-2-id-1-yl]oxy-5-phenylbenzene-2-id-1-yl]-4-(2,4-dimethylpentan-3-yl)-4,5-dihydro-1,3-oxazole;platinum(2+)?

The IUPAC name of (4R)-2-[3-[3-(5,5-dimethylbenzo[b][1,8]naphthyridin-10-yl)-5-methylbenzene-2-id-1-yl]oxy-5-phenylbenzene-2-id-1-yl]-4-(2,4-dimethylpentan-3-yl)-4,5-dihydro-1,3-oxazole;platinum(2+) (CID 170932360) is (4R)-2-[3-[3-(5,5-dimethylbenzo[b][1,8]naphthyridin-10-yl)-5-methylbenzene-2-id-1-yl]oxy-5-phenylbenzene-2-id-1-yl]-4-(2,4-dimethylpentan-3-yl)-4,5-dihydro-1,3-oxazole;platinum(2+).

What is the SMILES notation for (4R)-2-[3-[3-(5,5-dimethylbenzo[b][1,8]naphthyridin-10-yl)-5-methylbenzene-2-id-1-yl]oxy-5-phenylbenzene-2-id-1-yl]-4-(2,4-dimethylpentan-3-yl)-4,5-dihydro-1,3-oxazole;platinum(2+)?

The canonical SMILES for (4R)-2-[3-[3-(5,5-dimethylbenzo[b][1,8]naphthyridin-10-yl)-5-methylbenzene-2-id-1-yl]oxy-5-phenylbenzene-2-id-1-yl]-4-(2,4-dimethylpentan-3-yl)-4,5-dihydro-1,3-oxazole;platinum(2+) is Cc1cc(Oc2[c-]c(C3=N[C@H](C(C(C)C)C(C)C)CO3)cc(-c3ccccc3)c2)[c-]c(N2c3ccccc3C(C)(C)c3cccnc32)c1.[Pt+2].

What is the InChIKey of (4R)-2-[3-[3-(5,5-dimethylbenzo[b][1,8]naphthyridin-10-yl)-5-methylbenzene-2-id-1-yl]oxy-5-phenylbenzene-2-id-1-yl]-4-(2,4-dimethylpentan-3-yl)-4,5-dihydro-1,3-oxazole;platinum(2+)?

The InChIKey is XOMXPPQRAXZLCW-KYYDUREMSA-N. The full InChI is InChI=1S/C43H43N3O2.Pt/c1-27(2)40(28(3)4)38-26-47-42(45-38)32-22-31(30-14-9-8-10-15-30)23-35(24-32)48-34-21-29(5)20-33(25-34)46-39-18-12-11-16-36(39)43(6,7)37-17-13-19-44-41(37)46;/h8-23,27-28,38,40H,26H2,1-7H3;/q-2;+2/t38-;/m0./s1.

What are the key properties of (4R)-2-[3-[3-(5,5-dimethylbenzo[b][1,8]naphthyridin-10-yl)-5-methylbenzene-2-id-1-yl]oxy-5-phenylbenzene-2-id-1-yl]-4-(2,4-dimethylpentan-3-yl)-4,5-dihydro-1,3-oxazole;platinum(2+)?

(4R)-2-[3-[3-(5,5-dimethylbenzo[b][1,8]naphthyridin-10-yl)-5-methylbenzene-2-id-1-yl]oxy-5-phenylbenzene-2-id-1-yl]-4-(2,4-dimethylpentan-3-yl)-4,5-dihydro-1,3-oxazole;platinum(2+) has a molecular weight of 828.91 g/mol, XLogP of 10.63, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (4R)-2-[3-[3-(5,5-dimethylbenzo[b][1,8]naphthyridin-10-yl)-5-methylbenzene-2-id-1-yl]oxy-5-phenylbenzene-2-id-1-yl]-4-(2,4-dimethylpentan-3-yl)-4,5-dihydro-1,3-oxazole;platinum(2+) is sourced from PubChem (CID 170932360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).