(3aR,6aS)-2-[3-[3-(7-tert-butyl-5,5-dimethylbenzo[b][1,8]naphthyridin-10-yl)-5-methylbenzene-2-id-1-yl]oxy-5-[2,6-di(propan-2-yl)phenyl]benzene-2-id-1-yl]-3a,6a-dimethyl-5,6-dihydro-4H-cyclopenta[d][1,3]oxazole;platinum(2+)

C51H57N3O2Pt — CID 170933897

About (3aR,6aS)-2-[3-[3-(7-tert-butyl-5,5-dimethylbenzo[b][1,8]naphthyridin-10-yl)-5-methylbenzene-2-id-1-yl]oxy-5-[2,6-di(propan-2-yl)phenyl]benzene-2-id-1-yl]-3a,6a-dimethyl-5,6-dihydro-4H-cyclopenta[d][1,3]oxazole;platinum(2+)

(3aR,6aS)-2-[3-[3-(7-tert-butyl-5,5-dimethylbenzo[b][1,8]naphthyridin-10-yl)-5-methylbenzene-2-id-1-yl]oxy-5-[2,6-di(propan-2-yl)phenyl]benzene-2-id-1-yl]-3a,6a-dimethyl-5,6-dihydro-4H-cyclopenta[d][1,3]oxazole;platinum(2+) (PubChem CID 170933897) has the molecular formula C51H57N3O2Pt and a molecular weight of 939.11 g/mol. Its IUPAC name is (3aR,6aS)-2-[3-[3-(7-tert-butyl-5,5-dimethylbenzo[b][1,8]naphthyridin-10-yl)-5-methylbenzene-2-id-1-yl]oxy-5-[2,6-di(propan-2-yl)phenyl]benzene-2-id-1-yl]-3a,6a-dimethyl-5,6-dihydro-4H-cyclopenta[d][1,3]oxazole;platinum(2+).

Molecular Properties

• Compound Name: (3aR,6aS)-2-[3-[3-(7-tert-butyl-5,5-dimethylbenzo[b][1,8]naphthyridin-10-yl)-5-methylbenzene-2-id-1-yl]oxy-5-[2,6-di(propan-2-yl)phenyl]benzene-2-id-1-yl]-3a,6a-dimethyl-5,6-dihydro-4H-cyclopenta[d][1,3]oxazole;platinum(2+)
• PubChem CID: 170933897
• Molecular Formula: C51H57N3O2Pt
• Molecular Weight: 939.11 g/mol
• Exact Mass: 938.41
• IUPAC Name: (3aR,6aS)-2-[3-[3-(7-tert-butyl-5,5-dimethylbenzo[b][1,8]naphthyridin-10-yl)-5-methylbenzene-2-id-1-yl]oxy-5-[2,6-di(propan-2-yl)phenyl]benzene-2-id-1-yl]-3a,6a-dimethyl-5,6-dihydro-4H-cyclopenta[d][1,3]oxazole;platinum(2+)
• SMILES: Cc1cc(Oc2[c-]c(C3=N[C@]4(C)CCC[C@]4(C)O3)cc(-c3c(C(C)C)cccc3C(C)C)c2)[c-]c(N2c3ccc(C(C)(C)C)cc3C(C)(C)c3cccnc32)c1.[Pt+2]
• InChI: InChI=1S/C51H57N3O2.Pt/c1-31(2)40-16-13-17-41(32(3)4)45(40)34-26-35(47-53-50(11)21-15-22-51(50,12)56-47)28-39(27-34)55-38-25-33(5)24-37(30-38)54-44-20-19-36(48(6,7)8)29-43(44)49(9,10)42-18-14-23-52-46(42)54;/h13-14,16-20,23-27,29,31-32H,15,21-22H2,1-12H3;/q-2;+2/t50-,51+;/m1./s1
• InChIKey: LMTRICGHNPAIMD-ZILCTCJPSA-N
• XLogP: 13.58
• TPSA: 46.95 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	939.11
LogP ≤ 5	13.58
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 (3aR,6aS)-2-[3-[3-(7-tert-butyl-5,5-dimethylbenzo[b][1,8]naphthyridin-10-yl)-5-methylbenzene-2-id-1-yl]oxy-5-[2,6-di(propan-2-yl)phenyl]benzene-2-id-1-yl]-3a,6a-dimethyl-5,6-dihydro-4H-cyclopenta[d][1,3]oxazole;platinum(2+)?

The IUPAC name of (3aR,6aS)-2-[3-[3-(7-tert-butyl-5,5-dimethylbenzo[b][1,8]naphthyridin-10-yl)-5-methylbenzene-2-id-1-yl]oxy-5-[2,6-di(propan-2-yl)phenyl]benzene-2-id-1-yl]-3a,6a-dimethyl-5,6-dihydro-4H-cyclopenta[d][1,3]oxazole;platinum(2+) (CID 170933897) is (3aR,6aS)-2-[3-[3-(7-tert-butyl-5,5-dimethylbenzo[b][1,8]naphthyridin-10-yl)-5-methylbenzene-2-id-1-yl]oxy-5-[2,6-di(propan-2-yl)phenyl]benzene-2-id-1-yl]-3a,6a-dimethyl-5,6-dihydro-4H-cyclopenta[d][1,3]oxazole;platinum(2+).

What is the SMILES notation for (3aR,6aS)-2-[3-[3-(7-tert-butyl-5,5-dimethylbenzo[b][1,8]naphthyridin-10-yl)-5-methylbenzene-2-id-1-yl]oxy-5-[2,6-di(propan-2-yl)phenyl]benzene-2-id-1-yl]-3a,6a-dimethyl-5,6-dihydro-4H-cyclopenta[d][1,3]oxazole;platinum(2+)?

The canonical SMILES for (3aR,6aS)-2-[3-[3-(7-tert-butyl-5,5-dimethylbenzo[b][1,8]naphthyridin-10-yl)-5-methylbenzene-2-id-1-yl]oxy-5-[2,6-di(propan-2-yl)phenyl]benzene-2-id-1-yl]-3a,6a-dimethyl-5,6-dihydro-4H-cyclopenta[d][1,3]oxazole;platinum(2+) is Cc1cc(Oc2[c-]c(C3=N[C@]4(C)CCC[C@]4(C)O3)cc(-c3c(C(C)C)cccc3C(C)C)c2)[c-]c(N2c3ccc(C(C)(C)C)cc3C(C)(C)c3cccnc32)c1.[Pt+2].

What is the InChIKey of (3aR,6aS)-2-[3-[3-(7-tert-butyl-5,5-dimethylbenzo[b][1,8]naphthyridin-10-yl)-5-methylbenzene-2-id-1-yl]oxy-5-[2,6-di(propan-2-yl)phenyl]benzene-2-id-1-yl]-3a,6a-dimethyl-5,6-dihydro-4H-cyclopenta[d][1,3]oxazole;platinum(2+)?

The InChIKey is LMTRICGHNPAIMD-ZILCTCJPSA-N. The full InChI is InChI=1S/C51H57N3O2.Pt/c1-31(2)40-16-13-17-41(32(3)4)45(40)34-26-35(47-53-50(11)21-15-22-51(50,12)56-47)28-39(27-34)55-38-25-33(5)24-37(30-38)54-44-20-19-36(48(6,7)8)29-43(44)49(9,10)42-18-14-23-52-46(42)54;/h13-14,16-20,23-27,29,31-32H,15,21-22H2,1-12H3;/q-2;+2/t50-,51+;/m1./s1.

What are the key properties of (3aR,6aS)-2-[3-[3-(7-tert-butyl-5,5-dimethylbenzo[b][1,8]naphthyridin-10-yl)-5-methylbenzene-2-id-1-yl]oxy-5-[2,6-di(propan-2-yl)phenyl]benzene-2-id-1-yl]-3a,6a-dimethyl-5,6-dihydro-4H-cyclopenta[d][1,3]oxazole;platinum(2+)?

(3aR,6aS)-2-[3-[3-(7-tert-butyl-5,5-dimethylbenzo[b][1,8]naphthyridin-10-yl)-5-methylbenzene-2-id-1-yl]oxy-5-[2,6-di(propan-2-yl)phenyl]benzene-2-id-1-yl]-3a,6a-dimethyl-5,6-dihydro-4H-cyclopenta[d][1,3]oxazole;platinum(2+) has a molecular weight of 939.11 g/mol, XLogP of 13.58, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (3aR,6aS)-2-[3-[3-(7-tert-butyl-5,5-dimethylbenzo[b][1,8]naphthyridin-10-yl)-5-methylbenzene-2-id-1-yl]oxy-5-[2,6-di(propan-2-yl)phenyl]benzene-2-id-1-yl]-3a,6a-dimethyl-5,6-dihydro-4H-cyclopenta[d][1,3]oxazole;platinum(2+) is sourced from PubChem (CID 170933897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).