(3aR,8bR)-3a-tert-butyl-2-[3-tert-butyl-5-[2-(4,6-ditert-butyl-2-pyridinyl)-3,6-dimethyl-1H-carbazol-1-id-9-yl]benzene-6-id-1-yl]-4,4-dideuterio-6,7,8b-trimethylindeno[1,2-d][1,3]oxazole;platinum(2+)

C54H63N3OPt — CID 170934317

About (3aR,8bR)-3a-tert-butyl-2-[3-tert-butyl-5-[2-(4,6-ditert-butyl-2-pyridinyl)-3,6-dimethyl-1H-carbazol-1-id-9-yl]benzene-6-id-1-yl]-4,4-dideuterio-6,7,8b-trimethylindeno[1,2-d][1,3]oxazole;platinum(2+)

(3aR,8bR)-3a-tert-butyl-2-[3-tert-butyl-5-[2-(4,6-ditert-butyl-2-pyridinyl)-3,6-dimethyl-1H-carbazol-1-id-9-yl]benzene-6-id-1-yl]-4,4-dideuterio-6,7,8b-trimethylindeno[1,2-d][1,3]oxazole;platinum(2+) (PubChem CID 170934317) has the molecular formula C54H63N3OPt and a molecular weight of 967.21 g/mol. Its IUPAC name is (3aR,8bR)-3a-tert-butyl-2-[3-tert-butyl-5-[2-(4,6-ditert-butyl-2-pyridinyl)-3,6-dimethyl-1H-carbazol-1-id-9-yl]benzene-6-id-1-yl]-4,4-dideuterio-6,7,8b-trimethylindeno[1,2-d][1,3]oxazole;platinum(2+).

Molecular Properties

• Compound Name: (3aR,8bR)-3a-tert-butyl-2-[3-tert-butyl-5-[2-(4,6-ditert-butyl-2-pyridinyl)-3,6-dimethyl-1H-carbazol-1-id-9-yl]benzene-6-id-1-yl]-4,4-dideuterio-6,7,8b-trimethylindeno[1,2-d][1,3]oxazole;platinum(2+)
• PubChem CID: 170934317
• Molecular Formula: C54H63N3OPt
• Molecular Weight: 967.21 g/mol
• Exact Mass: 966.47
• IUPAC Name: (3aR,8bR)-3a-tert-butyl-2-[3-tert-butyl-5-[2-(4,6-ditert-butyl-2-pyridinyl)-3,6-dimethyl-1H-carbazol-1-id-9-yl]benzene-6-id-1-yl]-4,4-dideuterio-6,7,8b-trimethylindeno[1,2-d][1,3]oxazole;platinum(2+)
• SMILES: [2H]C1([2H])c2cc(C)c(C)cc2[C@@]2(C)N=C(c3[c-]c(-n4c5[c-]c(-c6cc(C(C)(C)C)cc(C(C)(C)C)n6)c(C)cc5c5cc(C)ccc54)cc(C(C)(C)C)c3)O[C@@]12C(C)(C)C.[Pt+2]
• InChI: InChI=1S/C54H63N3O.Pt/c1-31-18-19-45-41(20-31)42-22-34(4)40(44-27-38(50(8,9)10)28-47(55-44)51(11,12)13)29-46(42)57(45)39-25-35(24-37(26-39)49(5,6)7)48-56-53(17)43-23-33(3)32(2)21-36(43)30-54(53,58-48)52(14,15)16;/h18-24,26-28H,30H2,1-17H3;/q-2;+2/t53-,54-;/m1./s1/i30D2
• InChIKey: YHIKPKLCBUAIHZ-RPBZBKFASA-N
• XLogP: 13.60
• TPSA: 39.41 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	967.21
LogP ≤ 5	13.60
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (3aR,8bR)-3a-tert-butyl-2-[3-tert-butyl-5-[2-(4,6-ditert-butyl-2-pyridinyl)-3,6-dimethyl-1H-carbazol-1-id-9-yl]benzene-6-id-1-yl]-4,4-dideuterio-6,7,8b-trimethylindeno[1,2-d][1,3]oxazole;platinum(2+)?

The IUPAC name of (3aR,8bR)-3a-tert-butyl-2-[3-tert-butyl-5-[2-(4,6-ditert-butyl-2-pyridinyl)-3,6-dimethyl-1H-carbazol-1-id-9-yl]benzene-6-id-1-yl]-4,4-dideuterio-6,7,8b-trimethylindeno[1,2-d][1,3]oxazole;platinum(2+) (CID 170934317) is (3aR,8bR)-3a-tert-butyl-2-[3-tert-butyl-5-[2-(4,6-ditert-butyl-2-pyridinyl)-3,6-dimethyl-1H-carbazol-1-id-9-yl]benzene-6-id-1-yl]-4,4-dideuterio-6,7,8b-trimethylindeno[1,2-d][1,3]oxazole;platinum(2+).

What is the SMILES notation for (3aR,8bR)-3a-tert-butyl-2-[3-tert-butyl-5-[2-(4,6-ditert-butyl-2-pyridinyl)-3,6-dimethyl-1H-carbazol-1-id-9-yl]benzene-6-id-1-yl]-4,4-dideuterio-6,7,8b-trimethylindeno[1,2-d][1,3]oxazole;platinum(2+)?

The canonical SMILES for (3aR,8bR)-3a-tert-butyl-2-[3-tert-butyl-5-[2-(4,6-ditert-butyl-2-pyridinyl)-3,6-dimethyl-1H-carbazol-1-id-9-yl]benzene-6-id-1-yl]-4,4-dideuterio-6,7,8b-trimethylindeno[1,2-d][1,3]oxazole;platinum(2+) is [2H]C1([2H])c2cc(C)c(C)cc2[C@@]2(C)N=C(c3[c-]c(-n4c5[c-]c(-c6cc(C(C)(C)C)cc(C(C)(C)C)n6)c(C)cc5c5cc(C)ccc54)cc(C(C)(C)C)c3)O[C@@]12C(C)(C)C.[Pt+2].

What is the InChIKey of (3aR,8bR)-3a-tert-butyl-2-[3-tert-butyl-5-[2-(4,6-ditert-butyl-2-pyridinyl)-3,6-dimethyl-1H-carbazol-1-id-9-yl]benzene-6-id-1-yl]-4,4-dideuterio-6,7,8b-trimethylindeno[1,2-d][1,3]oxazole;platinum(2+)?

The InChIKey is YHIKPKLCBUAIHZ-RPBZBKFASA-N. The full InChI is InChI=1S/C54H63N3O.Pt/c1-31-18-19-45-41(20-31)42-22-34(4)40(44-27-38(50(8,9)10)28-47(55-44)51(11,12)13)29-46(42)57(45)39-25-35(24-37(26-39)49(5,6)7)48-56-53(17)43-23-33(3)32(2)21-36(43)30-54(53,58-48)52(14,15)16;/h18-24,26-28H,30H2,1-17H3;/q-2;+2/t53-,54-;/m1./s1/i30D2;.

What are the key properties of (3aR,8bR)-3a-tert-butyl-2-[3-tert-butyl-5-[2-(4,6-ditert-butyl-2-pyridinyl)-3,6-dimethyl-1H-carbazol-1-id-9-yl]benzene-6-id-1-yl]-4,4-dideuterio-6,7,8b-trimethylindeno[1,2-d][1,3]oxazole;platinum(2+)?

(3aR,8bR)-3a-tert-butyl-2-[3-tert-butyl-5-[2-(4,6-ditert-butyl-2-pyridinyl)-3,6-dimethyl-1H-carbazol-1-id-9-yl]benzene-6-id-1-yl]-4,4-dideuterio-6,7,8b-trimethylindeno[1,2-d][1,3]oxazole;platinum(2+) has a molecular weight of 967.21 g/mol, XLogP of 13.60, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (3aR,8bR)-3a-tert-butyl-2-[3-tert-butyl-5-[2-(4,6-ditert-butyl-2-pyridinyl)-3,6-dimethyl-1H-carbazol-1-id-9-yl]benzene-6-id-1-yl]-4,4-dideuterio-6,7,8b-trimethylindeno[1,2-d][1,3]oxazole;platinum(2+) is sourced from PubChem (CID 170934317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).