(3aS,8bR)-2-[3-[3-(7-tert-butylpyrido[3,2-b][1,4]benzothiazin-10-yl)-5-methylbenzene-2-id-1-yl]oxy-5-propan-2-ylbenzene-2-id-1-yl]-3a,5,6,8b-tetramethyl-4H-indeno[1,2-d][1,3]oxazole;platinum(2+)

C45H45N3O2PtS — CID 170933878

About (3aS,8bR)-2-[3-[3-(7-tert-butylpyrido[3,2-b][1,4]benzothiazin-10-yl)-5-methylbenzene-2-id-1-yl]oxy-5-propan-2-ylbenzene-2-id-1-yl]-3a,5,6,8b-tetramethyl-4H-indeno[1,2-d][1,3]oxazole;platinum(2+)

(3aS,8bR)-2-[3-[3-(7-tert-butylpyrido[3,2-b][1,4]benzothiazin-10-yl)-5-methylbenzene-2-id-1-yl]oxy-5-propan-2-ylbenzene-2-id-1-yl]-3a,5,6,8b-tetramethyl-4H-indeno[1,2-d][1,3]oxazole;platinum(2+) (PubChem CID 170933878) has the molecular formula C45H45N3O2PtS and a molecular weight of 887.02 g/mol. Its IUPAC name is (3aS,8bR)-2-[3-[3-(7-tert-butylpyrido[3,2-b][1,4]benzothiazin-10-yl)-5-methylbenzene-2-id-1-yl]oxy-5-propan-2-ylbenzene-2-id-1-yl]-3a,5,6,8b-tetramethyl-4H-indeno[1,2-d][1,3]oxazole;platinum(2+).

Molecular Properties

• Compound Name: (3aS,8bR)-2-[3-[3-(7-tert-butylpyrido[3,2-b][1,4]benzothiazin-10-yl)-5-methylbenzene-2-id-1-yl]oxy-5-propan-2-ylbenzene-2-id-1-yl]-3a,5,6,8b-tetramethyl-4H-indeno[1,2-d][1,3]oxazole;platinum(2+)
• PubChem CID: 170933878
• Molecular Formula: C45H45N3O2PtS
• Molecular Weight: 887.02 g/mol
• Exact Mass: 886.29
• IUPAC Name: (3aS,8bR)-2-[3-[3-(7-tert-butylpyrido[3,2-b][1,4]benzothiazin-10-yl)-5-methylbenzene-2-id-1-yl]oxy-5-propan-2-ylbenzene-2-id-1-yl]-3a,5,6,8b-tetramethyl-4H-indeno[1,2-d][1,3]oxazole;platinum(2+)
• SMILES: Cc1cc(Oc2[c-]c(C3=N[C@]4(C)c5ccc(C)c(C)c5C[C@]4(C)O3)cc(C(C)C)c2)[c-]c(N2c3ccc(C(C)(C)C)cc3Sc3cccnc32)c1.[Pt+2]
• InChI: InChI=1S/C45H45N3O2S.Pt/c1-26(2)30-20-31(42-47-45(10)37-15-13-28(4)29(5)36(37)25-44(45,9)50-42)22-35(21-30)49-34-19-27(3)18-33(24-34)48-38-16-14-32(43(6,7)8)23-40(38)51-39-12-11-17-46-41(39)48;/h11-21,23,26H,25H2,1-10H3;/q-2;+2/t44-,45+;/m0./s1
• InChIKey: UXJZRKZJDIUPOC-OOWSDCSBSA-N
• XLogP: 11.76
• TPSA: 46.95 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	887.02
LogP ≤ 5	11.76
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

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-(7-tert-butylpyrido[3,2-b][1,4]benzothiazin-10-yl)-5-methylbenzene-2-id-1-yl]oxy-5-propan-2-ylbenzene-2-id-1-yl]-3a,5,6,8b-tetramethyl-4H-indeno[1,2-d][1,3]oxazole;platinum(2+)?

The IUPAC name of (3aS,8bR)-2-[3-[3-(7-tert-butylpyrido[3,2-b][1,4]benzothiazin-10-yl)-5-methylbenzene-2-id-1-yl]oxy-5-propan-2-ylbenzene-2-id-1-yl]-3a,5,6,8b-tetramethyl-4H-indeno[1,2-d][1,3]oxazole;platinum(2+) (CID 170933878) is (3aS,8bR)-2-[3-[3-(7-tert-butylpyrido[3,2-b][1,4]benzothiazin-10-yl)-5-methylbenzene-2-id-1-yl]oxy-5-propan-2-ylbenzene-2-id-1-yl]-3a,5,6,8b-tetramethyl-4H-indeno[1,2-d][1,3]oxazole;platinum(2+).

What is the SMILES notation for (3aS,8bR)-2-[3-[3-(7-tert-butylpyrido[3,2-b][1,4]benzothiazin-10-yl)-5-methylbenzene-2-id-1-yl]oxy-5-propan-2-ylbenzene-2-id-1-yl]-3a,5,6,8b-tetramethyl-4H-indeno[1,2-d][1,3]oxazole;platinum(2+)?

The canonical SMILES for (3aS,8bR)-2-[3-[3-(7-tert-butylpyrido[3,2-b][1,4]benzothiazin-10-yl)-5-methylbenzene-2-id-1-yl]oxy-5-propan-2-ylbenzene-2-id-1-yl]-3a,5,6,8b-tetramethyl-4H-indeno[1,2-d][1,3]oxazole;platinum(2+) is Cc1cc(Oc2[c-]c(C3=N[C@]4(C)c5ccc(C)c(C)c5C[C@]4(C)O3)cc(C(C)C)c2)[c-]c(N2c3ccc(C(C)(C)C)cc3Sc3cccnc32)c1.[Pt+2].

What is the InChIKey of (3aS,8bR)-2-[3-[3-(7-tert-butylpyrido[3,2-b][1,4]benzothiazin-10-yl)-5-methylbenzene-2-id-1-yl]oxy-5-propan-2-ylbenzene-2-id-1-yl]-3a,5,6,8b-tetramethyl-4H-indeno[1,2-d][1,3]oxazole;platinum(2+)?

The InChIKey is UXJZRKZJDIUPOC-OOWSDCSBSA-N. The full InChI is InChI=1S/C45H45N3O2S.Pt/c1-26(2)30-20-31(42-47-45(10)37-15-13-28(4)29(5)36(37)25-44(45,9)50-42)22-35(21-30)49-34-19-27(3)18-33(24-34)48-38-16-14-32(43(6,7)8)23-40(38)51-39-12-11-17-46-41(39)48;/h11-21,23,26H,25H2,1-10H3;/q-2;+2/t44-,45+;/m0./s1.

What are the key properties of (3aS,8bR)-2-[3-[3-(7-tert-butylpyrido[3,2-b][1,4]benzothiazin-10-yl)-5-methylbenzene-2-id-1-yl]oxy-5-propan-2-ylbenzene-2-id-1-yl]-3a,5,6,8b-tetramethyl-4H-indeno[1,2-d][1,3]oxazole;platinum(2+)?

(3aS,8bR)-2-[3-[3-(7-tert-butylpyrido[3,2-b][1,4]benzothiazin-10-yl)-5-methylbenzene-2-id-1-yl]oxy-5-propan-2-ylbenzene-2-id-1-yl]-3a,5,6,8b-tetramethyl-4H-indeno[1,2-d][1,3]oxazole;platinum(2+) has a molecular weight of 887.02 g/mol, XLogP of 11.76, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (3aS,8bR)-2-[3-[3-(7-tert-butylpyrido[3,2-b][1,4]benzothiazin-10-yl)-5-methylbenzene-2-id-1-yl]oxy-5-propan-2-ylbenzene-2-id-1-yl]-3a,5,6,8b-tetramethyl-4H-indeno[1,2-d][1,3]oxazole;platinum(2+) is sourced from PubChem (CID 170933878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).