(4R,5R)-2-[3-[[10-(4-tert-butyl-2-pyridinyl)-9,9-dimethyl-4H-acridin-4-id-3-yl]oxy]-5-propan-2-ylbenzene-2-id-1-yl]-4,5-diphenyl-4,5-dihydro-1,3-oxazole;platinum(2+)

C48H45N3O2Pt — CID 170932874

About (4R,5R)-2-[3-[[10-(4-tert-butyl-2-pyridinyl)-9,9-dimethyl-4H-acridin-4-id-3-yl]oxy]-5-propan-2-ylbenzene-2-id-1-yl]-4,5-diphenyl-4,5-dihydro-1,3-oxazole;platinum(2+)

(4R,5R)-2-[3-[[10-(4-tert-butyl-2-pyridinyl)-9,9-dimethyl-4H-acridin-4-id-3-yl]oxy]-5-propan-2-ylbenzene-2-id-1-yl]-4,5-diphenyl-4,5-dihydro-1,3-oxazole;platinum(2+) (PubChem CID 170932874) has the molecular formula C48H45N3O2Pt and a molecular weight of 890.99 g/mol. Its IUPAC name is (4R,5R)-2-[3-[[10-(4-tert-butyl-2-pyridinyl)-9,9-dimethyl-4H-acridin-4-id-3-yl]oxy]-5-propan-2-ylbenzene-2-id-1-yl]-4,5-diphenyl-4,5-dihydro-1,3-oxazole;platinum(2+).

Molecular Properties

• Compound Name: (4R,5R)-2-[3-[[10-(4-tert-butyl-2-pyridinyl)-9,9-dimethyl-4H-acridin-4-id-3-yl]oxy]-5-propan-2-ylbenzene-2-id-1-yl]-4,5-diphenyl-4,5-dihydro-1,3-oxazole;platinum(2+)
• PubChem CID: 170932874
• Molecular Formula: C48H45N3O2Pt
• Molecular Weight: 890.99 g/mol
• Exact Mass: 890.32
• IUPAC Name: (4R,5R)-2-[3-[[10-(4-tert-butyl-2-pyridinyl)-9,9-dimethyl-4H-acridin-4-id-3-yl]oxy]-5-propan-2-ylbenzene-2-id-1-yl]-4,5-diphenyl-4,5-dihydro-1,3-oxazole;platinum(2+)
• SMILES: CC(C)c1cc(Oc2[c-]c3c(cc2)C(C)(C)c2ccccc2N3c2cc(C(C)(C)C)ccn2)[c-]c(C2=N[C@H](c3ccccc3)[C@@H](c3ccccc3)O2)c1.[Pt+2]
• InChI: InChI=1S/C48H45N3O2.Pt/c1-31(2)34-26-35(46-50-44(32-16-10-8-11-17-32)45(53-46)33-18-12-9-13-19-33)28-38(27-34)52-37-22-23-40-42(30-37)51(41-21-15-14-20-39(41)48(40,6)7)43-29-36(24-25-49-43)47(3,4)5;/h8-27,29,31,44-45H,1-7H3;/q-2;+2/t44-,45-;/m1./s1
• InChIKey: GMBDKJGETAULTG-DINRFCRBSA-N
• XLogP: 12.26
• TPSA: 46.95 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	890.99
LogP ≤ 5	12.26
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 (4R,5R)-2-[3-[[10-(4-tert-butyl-2-pyridinyl)-9,9-dimethyl-4H-acridin-4-id-3-yl]oxy]-5-propan-2-ylbenzene-2-id-1-yl]-4,5-diphenyl-4,5-dihydro-1,3-oxazole;platinum(2+)?

The IUPAC name of (4R,5R)-2-[3-[[10-(4-tert-butyl-2-pyridinyl)-9,9-dimethyl-4H-acridin-4-id-3-yl]oxy]-5-propan-2-ylbenzene-2-id-1-yl]-4,5-diphenyl-4,5-dihydro-1,3-oxazole;platinum(2+) (CID 170932874) is (4R,5R)-2-[3-[[10-(4-tert-butyl-2-pyridinyl)-9,9-dimethyl-4H-acridin-4-id-3-yl]oxy]-5-propan-2-ylbenzene-2-id-1-yl]-4,5-diphenyl-4,5-dihydro-1,3-oxazole;platinum(2+).

What is the SMILES notation for (4R,5R)-2-[3-[[10-(4-tert-butyl-2-pyridinyl)-9,9-dimethyl-4H-acridin-4-id-3-yl]oxy]-5-propan-2-ylbenzene-2-id-1-yl]-4,5-diphenyl-4,5-dihydro-1,3-oxazole;platinum(2+)?

The canonical SMILES for (4R,5R)-2-[3-[[10-(4-tert-butyl-2-pyridinyl)-9,9-dimethyl-4H-acridin-4-id-3-yl]oxy]-5-propan-2-ylbenzene-2-id-1-yl]-4,5-diphenyl-4,5-dihydro-1,3-oxazole;platinum(2+) is CC(C)c1cc(Oc2[c-]c3c(cc2)C(C)(C)c2ccccc2N3c2cc(C(C)(C)C)ccn2)[c-]c(C2=N[C@H](c3ccccc3)[C@@H](c3ccccc3)O2)c1.[Pt+2].

What is the InChIKey of (4R,5R)-2-[3-[[10-(4-tert-butyl-2-pyridinyl)-9,9-dimethyl-4H-acridin-4-id-3-yl]oxy]-5-propan-2-ylbenzene-2-id-1-yl]-4,5-diphenyl-4,5-dihydro-1,3-oxazole;platinum(2+)?

The InChIKey is GMBDKJGETAULTG-DINRFCRBSA-N. The full InChI is InChI=1S/C48H45N3O2.Pt/c1-31(2)34-26-35(46-50-44(32-16-10-8-11-17-32)45(53-46)33-18-12-9-13-19-33)28-38(27-34)52-37-22-23-40-42(30-37)51(41-21-15-14-20-39(41)48(40,6)7)43-29-36(24-25-49-43)47(3,4)5;/h8-27,29,31,44-45H,1-7H3;/q-2;+2/t44-,45-;/m1./s1.

What are the key properties of (4R,5R)-2-[3-[[10-(4-tert-butyl-2-pyridinyl)-9,9-dimethyl-4H-acridin-4-id-3-yl]oxy]-5-propan-2-ylbenzene-2-id-1-yl]-4,5-diphenyl-4,5-dihydro-1,3-oxazole;platinum(2+)?

(4R,5R)-2-[3-[[10-(4-tert-butyl-2-pyridinyl)-9,9-dimethyl-4H-acridin-4-id-3-yl]oxy]-5-propan-2-ylbenzene-2-id-1-yl]-4,5-diphenyl-4,5-dihydro-1,3-oxazole;platinum(2+) has a molecular weight of 890.99 g/mol, XLogP of 12.26, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (4R,5R)-2-[3-[[10-(4-tert-butyl-2-pyridinyl)-9,9-dimethyl-4H-acridin-4-id-3-yl]oxy]-5-propan-2-ylbenzene-2-id-1-yl]-4,5-diphenyl-4,5-dihydro-1,3-oxazole;platinum(2+) is sourced from PubChem (CID 170932874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).