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

C43H33N3O2Pt — CID 170933758

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

(3aS,8bR)-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]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole;platinum(2+) (PubChem CID 170933758) has the molecular formula C43H33N3O2Pt and a molecular weight of 818.83 g/mol. Its IUPAC name is (3aS,8bR)-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]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole;platinum(2+).

Molecular Properties

• Compound Name: (3aS,8bR)-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]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole;platinum(2+)
• PubChem CID: 170933758
• Molecular Formula: C43H33N3O2Pt
• Molecular Weight: 818.83 g/mol
• Exact Mass: 818.22
• IUPAC Name: (3aS,8bR)-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]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole;platinum(2+)
• SMILES: Cc1cc(Oc2[c-]c(C3=N[C@@H]4c5ccccc5C[C@@H]4O3)cc(-c3ccccc3)c2)[c-]c(N2c3ccccc3C(C)(C)c3cccnc32)c1.[Pt+2]
• InChI: InChI=1S/C43H33N3O2.Pt/c1-27-20-32(46-38-18-10-9-16-36(38)43(2,3)37-17-11-19-44-41(37)46)26-33(21-27)47-34-23-30(28-12-5-4-6-13-28)22-31(24-34)42-45-40-35-15-8-7-14-29(35)25-39(40)48-42;/h4-23,39-40H,25H2,1-3H3;/q-2;+2/t39-,40+;/m0./s1
• InChIKey: JVBYCHZHBITDQU-FYDKJVHYSA-N
• XLogP: 10.00
• TPSA: 46.95 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	818.83
LogP ≤ 5	10.00
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 (3aS,8bR)-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]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole;platinum(2+)?

The IUPAC name of (3aS,8bR)-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]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole;platinum(2+) (CID 170933758) is (3aS,8bR)-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]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole;platinum(2+).

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

The canonical SMILES for (3aS,8bR)-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]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole;platinum(2+) is Cc1cc(Oc2[c-]c(C3=N[C@@H]4c5ccccc5C[C@@H]4O3)cc(-c3ccccc3)c2)[c-]c(N2c3ccccc3C(C)(C)c3cccnc32)c1.[Pt+2].

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

The InChIKey is JVBYCHZHBITDQU-FYDKJVHYSA-N. The full InChI is InChI=1S/C43H33N3O2.Pt/c1-27-20-32(46-38-18-10-9-16-36(38)43(2,3)37-17-11-19-44-41(37)46)26-33(21-27)47-34-23-30(28-12-5-4-6-13-28)22-31(24-34)42-45-40-35-15-8-7-14-29(35)25-39(40)48-42;/h4-23,39-40H,25H2,1-3H3;/q-2;+2/t39-,40+;/m0./s1.

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

(3aS,8bR)-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]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole;platinum(2+) has a molecular weight of 818.83 g/mol, XLogP of 10.00, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (3aS,8bR)-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]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole;platinum(2+) is sourced from PubChem (CID 170933758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).