(3aS,8bR)-2-[2-[[6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-3H-pyridin-3-id-4-yl]-3a,5,6,8b-tetramethyl-4H-indeno[1,2-d][1,3]oxazole;platinum(2+)

C44H44N4O2Pt — CID 170934486

About (3aS,8bR)-2-[2-[[6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-3H-pyridin-3-id-4-yl]-3a,5,6,8b-tetramethyl-4H-indeno[1,2-d][1,3]oxazole;platinum(2+)

(3aS,8bR)-2-[2-[[6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-3H-pyridin-3-id-4-yl]-3a,5,6,8b-tetramethyl-4H-indeno[1,2-d][1,3]oxazole;platinum(2+) (PubChem CID 170934486) has the molecular formula C44H44N4O2Pt and a molecular weight of 855.94 g/mol. Its IUPAC name is (3aS,8bR)-2-[2-[[6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-3H-pyridin-3-id-4-yl]-3a,5,6,8b-tetramethyl-4H-indeno[1,2-d][1,3]oxazole;platinum(2+).

Molecular Properties

• Compound Name: (3aS,8bR)-2-[2-[[6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-3H-pyridin-3-id-4-yl]-3a,5,6,8b-tetramethyl-4H-indeno[1,2-d][1,3]oxazole;platinum(2+)
• PubChem CID: 170934486
• Molecular Formula: C44H44N4O2Pt
• Molecular Weight: 855.94 g/mol
• Exact Mass: 855.31
• IUPAC Name: (3aS,8bR)-2-[2-[[6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-3H-pyridin-3-id-4-yl]-3a,5,6,8b-tetramethyl-4H-indeno[1,2-d][1,3]oxazole;platinum(2+)
• SMILES: Cc1ccc2c(c1C)C[C@]1(C)OC(c3[c-]c(Oc4[c-]c5c(cc4)c4cc(C(C)(C)C)ccc4n5-c4cc(C(C)(C)C)ccn4)ncc3)=N[C@]21C.[Pt+2]
• InChI: InChI=1S/C44H44N4O2.Pt/c1-26-11-15-35-34(27(26)2)25-43(9)44(35,10)47-40(50-43)28-17-19-46-39(21-28)49-31-13-14-32-33-22-29(41(3,4)5)12-16-36(33)48(37(32)24-31)38-23-30(18-20-45-38)42(6,7)8;/h11-20,22-23H,25H2,1-10H3;/q-2;+2/t43-,44+;/m0./s1
• InChIKey: WMGQJYXJTYIIBL-FAAMGJFKSA-N
• XLogP: 10.18
• TPSA: 61.53 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	855.94
LogP ≤ 5	10.18
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-[2-[[6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-3H-pyridin-3-id-4-yl]-3a,5,6,8b-tetramethyl-4H-indeno[1,2-d][1,3]oxazole;platinum(2+)?

The IUPAC name of (3aS,8bR)-2-[2-[[6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-3H-pyridin-3-id-4-yl]-3a,5,6,8b-tetramethyl-4H-indeno[1,2-d][1,3]oxazole;platinum(2+) (CID 170934486) is (3aS,8bR)-2-[2-[[6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-3H-pyridin-3-id-4-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-[2-[[6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-3H-pyridin-3-id-4-yl]-3a,5,6,8b-tetramethyl-4H-indeno[1,2-d][1,3]oxazole;platinum(2+)?

The canonical SMILES for (3aS,8bR)-2-[2-[[6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-3H-pyridin-3-id-4-yl]-3a,5,6,8b-tetramethyl-4H-indeno[1,2-d][1,3]oxazole;platinum(2+) is Cc1ccc2c(c1C)C[C@]1(C)OC(c3[c-]c(Oc4[c-]c5c(cc4)c4cc(C(C)(C)C)ccc4n5-c4cc(C(C)(C)C)ccn4)ncc3)=N[C@]21C.[Pt+2].

What is the InChIKey of (3aS,8bR)-2-[2-[[6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-3H-pyridin-3-id-4-yl]-3a,5,6,8b-tetramethyl-4H-indeno[1,2-d][1,3]oxazole;platinum(2+)?

The InChIKey is WMGQJYXJTYIIBL-FAAMGJFKSA-N. The full InChI is InChI=1S/C44H44N4O2.Pt/c1-26-11-15-35-34(27(26)2)25-43(9)44(35,10)47-40(50-43)28-17-19-46-39(21-28)49-31-13-14-32-33-22-29(41(3,4)5)12-16-36(33)48(37(32)24-31)38-23-30(18-20-45-38)42(6,7)8;/h11-20,22-23H,25H2,1-10H3;/q-2;+2/t43-,44+;/m0./s1.

What are the key properties of (3aS,8bR)-2-[2-[[6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-3H-pyridin-3-id-4-yl]-3a,5,6,8b-tetramethyl-4H-indeno[1,2-d][1,3]oxazole;platinum(2+)?

(3aS,8bR)-2-[2-[[6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-3H-pyridin-3-id-4-yl]-3a,5,6,8b-tetramethyl-4H-indeno[1,2-d][1,3]oxazole;platinum(2+) has a molecular weight of 855.94 g/mol, XLogP of 10.18, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (3aS,8bR)-2-[2-[[6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-3H-pyridin-3-id-4-yl]-3a,5,6,8b-tetramethyl-4H-indeno[1,2-d][1,3]oxazole;platinum(2+) is sourced from PubChem (CID 170934486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).