(3aS,9bR)-2-[5-[[9-(4-tert-butyl-2-pyridinyl)-6-methyl-1H-carbazol-1-id-2-yl]oxy]-2,4-dimethylbenzene-6-id-1-yl]-5,5,7,9b-tetramethyl-3a,4-dihydrobenzo[e][1,3]benzoxazole;platinum(2+)

C45H45N3O2Pt — CID 170935753

About (3aS,9bR)-2-[5-[[9-(4-tert-butyl-2-pyridinyl)-6-methyl-1H-carbazol-1-id-2-yl]oxy]-2,4-dimethylbenzene-6-id-1-yl]-5,5,7,9b-tetramethyl-3a,4-dihydrobenzo[e][1,3]benzoxazole;platinum(2+)

(3aS,9bR)-2-[5-[[9-(4-tert-butyl-2-pyridinyl)-6-methyl-1H-carbazol-1-id-2-yl]oxy]-2,4-dimethylbenzene-6-id-1-yl]-5,5,7,9b-tetramethyl-3a,4-dihydrobenzo[e][1,3]benzoxazole;platinum(2+) (PubChem CID 170935753) has the molecular formula C45H45N3O2Pt and a molecular weight of 854.95 g/mol. Its IUPAC name is (3aS,9bR)-2-[5-[[9-(4-tert-butyl-2-pyridinyl)-6-methyl-1H-carbazol-1-id-2-yl]oxy]-2,4-dimethylbenzene-6-id-1-yl]-5,5,7,9b-tetramethyl-3a,4-dihydrobenzo[e][1,3]benzoxazole;platinum(2+).

Molecular Properties

• Compound Name: (3aS,9bR)-2-[5-[[9-(4-tert-butyl-2-pyridinyl)-6-methyl-1H-carbazol-1-id-2-yl]oxy]-2,4-dimethylbenzene-6-id-1-yl]-5,5,7,9b-tetramethyl-3a,4-dihydrobenzo[e][1,3]benzoxazole;platinum(2+)
• PubChem CID: 170935753
• Molecular Formula: C45H45N3O2Pt
• Molecular Weight: 854.95 g/mol
• Exact Mass: 854.32
• IUPAC Name: (3aS,9bR)-2-[5-[[9-(4-tert-butyl-2-pyridinyl)-6-methyl-1H-carbazol-1-id-2-yl]oxy]-2,4-dimethylbenzene-6-id-1-yl]-5,5,7,9b-tetramethyl-3a,4-dihydrobenzo[e][1,3]benzoxazole;platinum(2+)
• SMILES: Cc1ccc2c(c1)C(C)(C)C[C@@H]1OC(c3[c-]c(Oc4[c-]c5c(cc4)c4cc(C)ccc4n5-c4cc(C(C)(C)C)ccn4)c(C)cc3C)=N[C@]21C.[Pt+2]
• InChI: InChI=1S/C45H45N3O2.Pt/c1-26-12-16-37-34(19-26)32-14-13-31(23-38(32)48(37)41-22-30(17-18-46-41)43(5,6)7)49-39-24-33(28(3)21-29(39)4)42-47-45(10)35-15-11-27(2)20-36(35)44(8,9)25-40(45)50-42;/h11-22,40H,25H2,1-10H3;/q-2;+2/t40-,45+;/m0./s1
• InChIKey: PQEYQGJTRJDFOD-NBQSGLPCSA-N
• XLogP: 10.84
• TPSA: 48.64 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	854.95
LogP ≤ 5	10.84
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 (3aS,9bR)-2-[5-[[9-(4-tert-butyl-2-pyridinyl)-6-methyl-1H-carbazol-1-id-2-yl]oxy]-2,4-dimethylbenzene-6-id-1-yl]-5,5,7,9b-tetramethyl-3a,4-dihydrobenzo[e][1,3]benzoxazole;platinum(2+)?

The IUPAC name of (3aS,9bR)-2-[5-[[9-(4-tert-butyl-2-pyridinyl)-6-methyl-1H-carbazol-1-id-2-yl]oxy]-2,4-dimethylbenzene-6-id-1-yl]-5,5,7,9b-tetramethyl-3a,4-dihydrobenzo[e][1,3]benzoxazole;platinum(2+) (CID 170935753) is (3aS,9bR)-2-[5-[[9-(4-tert-butyl-2-pyridinyl)-6-methyl-1H-carbazol-1-id-2-yl]oxy]-2,4-dimethylbenzene-6-id-1-yl]-5,5,7,9b-tetramethyl-3a,4-dihydrobenzo[e][1,3]benzoxazole;platinum(2+).

What is the SMILES notation for (3aS,9bR)-2-[5-[[9-(4-tert-butyl-2-pyridinyl)-6-methyl-1H-carbazol-1-id-2-yl]oxy]-2,4-dimethylbenzene-6-id-1-yl]-5,5,7,9b-tetramethyl-3a,4-dihydrobenzo[e][1,3]benzoxazole;platinum(2+)?

The canonical SMILES for (3aS,9bR)-2-[5-[[9-(4-tert-butyl-2-pyridinyl)-6-methyl-1H-carbazol-1-id-2-yl]oxy]-2,4-dimethylbenzene-6-id-1-yl]-5,5,7,9b-tetramethyl-3a,4-dihydrobenzo[e][1,3]benzoxazole;platinum(2+) is Cc1ccc2c(c1)C(C)(C)C[C@@H]1OC(c3[c-]c(Oc4[c-]c5c(cc4)c4cc(C)ccc4n5-c4cc(C(C)(C)C)ccn4)c(C)cc3C)=N[C@]21C.[Pt+2].

What is the InChIKey of (3aS,9bR)-2-[5-[[9-(4-tert-butyl-2-pyridinyl)-6-methyl-1H-carbazol-1-id-2-yl]oxy]-2,4-dimethylbenzene-6-id-1-yl]-5,5,7,9b-tetramethyl-3a,4-dihydrobenzo[e][1,3]benzoxazole;platinum(2+)?

The InChIKey is PQEYQGJTRJDFOD-NBQSGLPCSA-N. The full InChI is InChI=1S/C45H45N3O2.Pt/c1-26-12-16-37-34(19-26)32-14-13-31(23-38(32)48(37)41-22-30(17-18-46-41)43(5,6)7)49-39-24-33(28(3)21-29(39)4)42-47-45(10)35-15-11-27(2)20-36(35)44(8,9)25-40(45)50-42;/h11-22,40H,25H2,1-10H3;/q-2;+2/t40-,45+;/m0./s1.

What are the key properties of (3aS,9bR)-2-[5-[[9-(4-tert-butyl-2-pyridinyl)-6-methyl-1H-carbazol-1-id-2-yl]oxy]-2,4-dimethylbenzene-6-id-1-yl]-5,5,7,9b-tetramethyl-3a,4-dihydrobenzo[e][1,3]benzoxazole;platinum(2+)?

(3aS,9bR)-2-[5-[[9-(4-tert-butyl-2-pyridinyl)-6-methyl-1H-carbazol-1-id-2-yl]oxy]-2,4-dimethylbenzene-6-id-1-yl]-5,5,7,9b-tetramethyl-3a,4-dihydrobenzo[e][1,3]benzoxazole;platinum(2+) has a molecular weight of 854.95 g/mol, XLogP of 10.84, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (3aS,9bR)-2-[5-[[9-(4-tert-butyl-2-pyridinyl)-6-methyl-1H-carbazol-1-id-2-yl]oxy]-2,4-dimethylbenzene-6-id-1-yl]-5,5,7,9b-tetramethyl-3a,4-dihydrobenzo[e][1,3]benzoxazole;platinum(2+) is sourced from PubChem (CID 170935753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).