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

C46H47N3O2Pt — CID 170932919

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

(3aS,9aS)-2-[5-[[9-(4-tert-butyl-2-pyridinyl)-6-methyl-1H-carbazol-1-id-2-yl]oxy]-2,4-dimethylbenzene-6-id-1-yl]-3a,4,4,5,7-pentamethyl-9,9a-dihydrobenzo[f][1,3]benzoxazole;platinum(2+) (PubChem CID 170932919) has the molecular formula C46H47N3O2Pt and a molecular weight of 868.98 g/mol. Its IUPAC name is (3aS,9aS)-2-[5-[[9-(4-tert-butyl-2-pyridinyl)-6-methyl-1H-carbazol-1-id-2-yl]oxy]-2,4-dimethylbenzene-6-id-1-yl]-3a,4,4,5,7-pentamethyl-9,9a-dihydrobenzo[f][1,3]benzoxazole;platinum(2+).

Molecular Properties

• Compound Name: (3aS,9aS)-2-[5-[[9-(4-tert-butyl-2-pyridinyl)-6-methyl-1H-carbazol-1-id-2-yl]oxy]-2,4-dimethylbenzene-6-id-1-yl]-3a,4,4,5,7-pentamethyl-9,9a-dihydrobenzo[f][1,3]benzoxazole;platinum(2+)
• PubChem CID: 170932919
• Molecular Formula: C46H47N3O2Pt
• Molecular Weight: 868.98 g/mol
• Exact Mass: 868.33
• IUPAC Name: (3aS,9aS)-2-[5-[[9-(4-tert-butyl-2-pyridinyl)-6-methyl-1H-carbazol-1-id-2-yl]oxy]-2,4-dimethylbenzene-6-id-1-yl]-3a,4,4,5,7-pentamethyl-9,9a-dihydrobenzo[f][1,3]benzoxazole;platinum(2+)
• SMILES: Cc1cc(C)c2c(c1)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@@]1(C)C2(C)C.[Pt+2]
• InChI: InChI=1S/C46H47N3O2.Pt/c1-26-12-15-37-36(20-26)34-14-13-33(24-38(34)49(37)41-23-32(16-17-47-41)44(6,7)8)50-39-25-35(28(3)21-29(39)4)43-48-46(11)40(51-43)22-31-19-27(2)18-30(5)42(31)45(46,9)10;/h12-21,23,40H,22H2,1-11H3;/q-2;+2/t40-,46+;/m0./s1
• InChIKey: MMRDEJGPADLJNY-UBCPTVHISA-N
• XLogP: 10.85
• TPSA: 48.64 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	868.98
LogP ≤ 5	10.85
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,9aS)-2-[5-[[9-(4-tert-butyl-2-pyridinyl)-6-methyl-1H-carbazol-1-id-2-yl]oxy]-2,4-dimethylbenzene-6-id-1-yl]-3a,4,4,5,7-pentamethyl-9,9a-dihydrobenzo[f][1,3]benzoxazole;platinum(2+)?

The IUPAC name of (3aS,9aS)-2-[5-[[9-(4-tert-butyl-2-pyridinyl)-6-methyl-1H-carbazol-1-id-2-yl]oxy]-2,4-dimethylbenzene-6-id-1-yl]-3a,4,4,5,7-pentamethyl-9,9a-dihydrobenzo[f][1,3]benzoxazole;platinum(2+) (CID 170932919) is (3aS,9aS)-2-[5-[[9-(4-tert-butyl-2-pyridinyl)-6-methyl-1H-carbazol-1-id-2-yl]oxy]-2,4-dimethylbenzene-6-id-1-yl]-3a,4,4,5,7-pentamethyl-9,9a-dihydrobenzo[f][1,3]benzoxazole;platinum(2+).

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

The canonical SMILES for (3aS,9aS)-2-[5-[[9-(4-tert-butyl-2-pyridinyl)-6-methyl-1H-carbazol-1-id-2-yl]oxy]-2,4-dimethylbenzene-6-id-1-yl]-3a,4,4,5,7-pentamethyl-9,9a-dihydrobenzo[f][1,3]benzoxazole;platinum(2+) is Cc1cc(C)c2c(c1)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@@]1(C)C2(C)C.[Pt+2].

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

The InChIKey is MMRDEJGPADLJNY-UBCPTVHISA-N. The full InChI is InChI=1S/C46H47N3O2.Pt/c1-26-12-15-37-36(20-26)34-14-13-33(24-38(34)49(37)41-23-32(16-17-47-41)44(6,7)8)50-39-25-35(28(3)21-29(39)4)43-48-46(11)40(51-43)22-31-19-27(2)18-30(5)42(31)45(46,9)10;/h12-21,23,40H,22H2,1-11H3;/q-2;+2/t40-,46+;/m0./s1.

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

(3aS,9aS)-2-[5-[[9-(4-tert-butyl-2-pyridinyl)-6-methyl-1H-carbazol-1-id-2-yl]oxy]-2,4-dimethylbenzene-6-id-1-yl]-3a,4,4,5,7-pentamethyl-9,9a-dihydrobenzo[f][1,3]benzoxazole;platinum(2+) has a molecular weight of 868.98 g/mol, XLogP of 10.85, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (3aS,9aS)-2-[5-[[9-(4-tert-butyl-2-pyridinyl)-6-methyl-1H-carbazol-1-id-2-yl]oxy]-2,4-dimethylbenzene-6-id-1-yl]-3a,4,4,5,7-pentamethyl-9,9a-dihydrobenzo[f][1,3]benzoxazole;platinum(2+) is sourced from PubChem (CID 170932919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).