10-[3-[5-[(3aS,8bR)-3a,4,4,5,7,8b-hexamethylindeno[1,2-d][1,3]oxazol-2-yl]-2,4-dimethylbenzene-6-id-1-yl]oxy-5-methylbenzene-2-id-1-yl]-7-tert-butylpyrido[3,2-b][1,4]benzoxazine;platinum(2+)

C46H47N3O3Pt — CID 170934039

About 10-[3-[5-[(3aS,8bR)-3a,4,4,5,7,8b-hexamethylindeno[1,2-d][1,3]oxazol-2-yl]-2,4-dimethylbenzene-6-id-1-yl]oxy-5-methylbenzene-2-id-1-yl]-7-tert-butylpyrido[3,2-b][1,4]benzoxazine;platinum(2+)

10-[3-[5-[(3aS,8bR)-3a,4,4,5,7,8b-hexamethylindeno[1,2-d][1,3]oxazol-2-yl]-2,4-dimethylbenzene-6-id-1-yl]oxy-5-methylbenzene-2-id-1-yl]-7-tert-butylpyrido[3,2-b][1,4]benzoxazine;platinum(2+) (PubChem CID 170934039) has the molecular formula C46H47N3O3Pt and a molecular weight of 884.98 g/mol. Its IUPAC name is 10-[3-[5-[(3aS,8bR)-3a,4,4,5,7,8b-hexamethylindeno[1,2-d][1,3]oxazol-2-yl]-2,4-dimethylbenzene-6-id-1-yl]oxy-5-methylbenzene-2-id-1-yl]-7-tert-butylpyrido[3,2-b][1,4]benzoxazine;platinum(2+).

Molecular Properties

• Compound Name: 10-[3-[5-[(3aS,8bR)-3a,4,4,5,7,8b-hexamethylindeno[1,2-d][1,3]oxazol-2-yl]-2,4-dimethylbenzene-6-id-1-yl]oxy-5-methylbenzene-2-id-1-yl]-7-tert-butylpyrido[3,2-b][1,4]benzoxazine;platinum(2+)
• PubChem CID: 170934039
• Molecular Formula: C46H47N3O3Pt
• Molecular Weight: 884.98 g/mol
• Exact Mass: 884.33
• IUPAC Name: 10-[3-[5-[(3aS,8bR)-3a,4,4,5,7,8b-hexamethylindeno[1,2-d][1,3]oxazol-2-yl]-2,4-dimethylbenzene-6-id-1-yl]oxy-5-methylbenzene-2-id-1-yl]-7-tert-butylpyrido[3,2-b][1,4]benzoxazine;platinum(2+)
• SMILES: Cc1cc(Oc2[c-]c(C3=N[C@]4(C)c5cc(C)cc(C)c5C(C)(C)[C@]4(C)O3)c(C)cc2C)[c-]c(N2c3ccc(C(C)(C)C)cc3Oc3cccnc32)c1.[Pt+2]
• InChI: InChI=1S/C46H47N3O3.Pt/c1-26-18-30(5)40-35(21-26)45(11)46(12,44(40,9)10)52-42(48-45)34-25-38(29(4)22-28(34)3)50-33-20-27(2)19-32(24-33)49-36-16-15-31(43(6,7)8)23-39(36)51-37-14-13-17-47-41(37)49;/h13-23H,1-12H3;/q-2;+2/t45-,46+;/m1./s1
• InChIKey: SRAOJFIYIFYXLS-NVESIFFTSA-N
• XLogP: 11.63
• TPSA: 56.18 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	884.98
LogP ≤ 5	11.63
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 10-[3-[5-[(3aS,8bR)-3a,4,4,5,7,8b-hexamethylindeno[1,2-d][1,3]oxazol-2-yl]-2,4-dimethylbenzene-6-id-1-yl]oxy-5-methylbenzene-2-id-1-yl]-7-tert-butylpyrido[3,2-b][1,4]benzoxazine;platinum(2+)?

The IUPAC name of 10-[3-[5-[(3aS,8bR)-3a,4,4,5,7,8b-hexamethylindeno[1,2-d][1,3]oxazol-2-yl]-2,4-dimethylbenzene-6-id-1-yl]oxy-5-methylbenzene-2-id-1-yl]-7-tert-butylpyrido[3,2-b][1,4]benzoxazine;platinum(2+) (CID 170934039) is 10-[3-[5-[(3aS,8bR)-3a,4,4,5,7,8b-hexamethylindeno[1,2-d][1,3]oxazol-2-yl]-2,4-dimethylbenzene-6-id-1-yl]oxy-5-methylbenzene-2-id-1-yl]-7-tert-butylpyrido[3,2-b][1,4]benzoxazine;platinum(2+).

What is the SMILES notation for 10-[3-[5-[(3aS,8bR)-3a,4,4,5,7,8b-hexamethylindeno[1,2-d][1,3]oxazol-2-yl]-2,4-dimethylbenzene-6-id-1-yl]oxy-5-methylbenzene-2-id-1-yl]-7-tert-butylpyrido[3,2-b][1,4]benzoxazine;platinum(2+)?

The canonical SMILES for 10-[3-[5-[(3aS,8bR)-3a,4,4,5,7,8b-hexamethylindeno[1,2-d][1,3]oxazol-2-yl]-2,4-dimethylbenzene-6-id-1-yl]oxy-5-methylbenzene-2-id-1-yl]-7-tert-butylpyrido[3,2-b][1,4]benzoxazine;platinum(2+) is Cc1cc(Oc2[c-]c(C3=N[C@]4(C)c5cc(C)cc(C)c5C(C)(C)[C@]4(C)O3)c(C)cc2C)[c-]c(N2c3ccc(C(C)(C)C)cc3Oc3cccnc32)c1.[Pt+2].

What is the InChIKey of 10-[3-[5-[(3aS,8bR)-3a,4,4,5,7,8b-hexamethylindeno[1,2-d][1,3]oxazol-2-yl]-2,4-dimethylbenzene-6-id-1-yl]oxy-5-methylbenzene-2-id-1-yl]-7-tert-butylpyrido[3,2-b][1,4]benzoxazine;platinum(2+)?

The InChIKey is SRAOJFIYIFYXLS-NVESIFFTSA-N. The full InChI is InChI=1S/C46H47N3O3.Pt/c1-26-18-30(5)40-35(21-26)45(11)46(12,44(40,9)10)52-42(48-45)34-25-38(29(4)22-28(34)3)50-33-20-27(2)19-32(24-33)49-36-16-15-31(43(6,7)8)23-39(36)51-37-14-13-17-47-41(37)49;/h13-23H,1-12H3;/q-2;+2/t45-,46+;/m1./s1.

What are the key properties of 10-[3-[5-[(3aS,8bR)-3a,4,4,5,7,8b-hexamethylindeno[1,2-d][1,3]oxazol-2-yl]-2,4-dimethylbenzene-6-id-1-yl]oxy-5-methylbenzene-2-id-1-yl]-7-tert-butylpyrido[3,2-b][1,4]benzoxazine;platinum(2+)?

10-[3-[5-[(3aS,8bR)-3a,4,4,5,7,8b-hexamethylindeno[1,2-d][1,3]oxazol-2-yl]-2,4-dimethylbenzene-6-id-1-yl]oxy-5-methylbenzene-2-id-1-yl]-7-tert-butylpyrido[3,2-b][1,4]benzoxazine;platinum(2+) has a molecular weight of 884.98 g/mol, XLogP of 11.63, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 10-[3-[5-[(3aS,8bR)-3a,4,4,5,7,8b-hexamethylindeno[1,2-d][1,3]oxazol-2-yl]-2,4-dimethylbenzene-6-id-1-yl]oxy-5-methylbenzene-2-id-1-yl]-7-tert-butylpyrido[3,2-b][1,4]benzoxazine;platinum(2+) is sourced from PubChem (CID 170934039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).