(4R)-4-tert-butyl-2-[3-tert-butyl-5-[[10-(4-tert-butyl-2-pyridinyl)-2,7,9,9-tetramethyl-4H-acridin-4-id-3-yl]oxy]benzene-6-id-1-yl]-4-methyl-5H-1,3-oxazole;platinum(2+)

C44H53N3O2Pt — CID 170935450

IUPAC(4R)-4-tert-butyl-2-[3-tert-butyl-5-[[10-(4-tert-butyl-2-pyridinyl)-2,7,9,9-tetramethyl-4H-acridin-4-id-3-yl]oxy]benzene-6-id-1-yl]-4-methyl-5H-1,3-oxazole;platinum(2+)
SMILESCc1ccc2c(c1)C(C)(C)c1cc(C)c(Oc3[c-]c(C4=N[C@](C)(C(C)(C)C)CO4)cc(C(C)(C)C)c3)[c-]c1N2c1cc(C(C)(C)C)ccn1.[Pt+2]
InChIInChI=1S/C44H53N3O2.Pt/c1-27-15-16-35-33(19-27)43(12,13)34-20-28(2)37(25-36(34)47(35)38-24-30(17-18-45-38)40(3,4)5)49-32-22-29(21-31(23-32)41(6,7)8)39-46-44(14,26-48-39)42(9,10)11;/h15-21,23-24H,26H2,1-14H3;/q-2;+2/t44-;/m0./s1
InChIKeyPQEUFYYLOKMZOU-OXRPNXAASA-N
MW851.00 g/mol
LogP11.37
Rot. Bonds4

About (4R)-4-tert-butyl-2-[3-tert-butyl-5-[[10-(4-tert-butyl-2-pyridinyl)-2,7,9,9-tetramethyl-4H-acridin-4-id-3-yl]oxy]benzene-6-id-1-yl]-4-methyl-5H-1,3-oxazole;platinum(2+)

(4R)-4-tert-butyl-2-[3-tert-butyl-5-[[10-(4-tert-butyl-2-pyridinyl)-2,7,9,9-tetramethyl-4H-acridin-4-id-3-yl]oxy]benzene-6-id-1-yl]-4-methyl-5H-1,3-oxazole;platinum(2+) (PubChem CID 170935450) has the molecular formula C44H53N3O2Pt and a molecular weight of 851.00 g/mol. Its IUPAC name is (4R)-4-tert-butyl-2-[3-tert-butyl-5-[[10-(4-tert-butyl-2-pyridinyl)-2,7,9,9-tetramethyl-4H-acridin-4-id-3-yl]oxy]benzene-6-id-1-yl]-4-methyl-5H-1,3-oxazole;platinum(2+).

Molecular Properties

Compound Name(4R)-4-tert-butyl-2-[3-tert-butyl-5-[[10-(4-tert-butyl-2-pyridinyl)-2,7,9,9-tetramethyl-4H-acridin-4-id-3-yl]oxy]benzene-6-id-1-yl]-4-methyl-5H-1,3-oxazole;platinum(2+)
PubChem CID170935450
Molecular FormulaC44H53N3O2Pt
Molecular Weight851.00 g/mol
Exact Mass850.38
IUPAC Name(4R)-4-tert-butyl-2-[3-tert-butyl-5-[[10-(4-tert-butyl-2-pyridinyl)-2,7,9,9-tetramethyl-4H-acridin-4-id-3-yl]oxy]benzene-6-id-1-yl]-4-methyl-5H-1,3-oxazole;platinum(2+)
SMILESCc1ccc2c(c1)C(C)(C)c1cc(C)c(Oc3[c-]c(C4=N[C@](C)(C(C)(C)C)CO4)cc(C(C)(C)C)c3)[c-]c1N2c1cc(C(C)(C)C)ccn1.[Pt+2]
InChIInChI=1S/C44H53N3O2.Pt/c1-27-15-16-35-33(19-27)43(12,13)34-20-28(2)37(25-36(34)47(35)38-24-30(17-18-45-38)40(3,4)5)49-32-22-29(21-31(23-32)41(6,7)8)39-46-44(14,26-48-39)42(9,10)11;/h15-21,23-24H,26H2,1-14H3;/q-2;+2/t44-;/m0./s1
InChIKeyPQEUFYYLOKMZOU-OXRPNXAASA-N
XLogP11.37
TPSA46.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500851.00
LogP ≤ 511.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (4R)-4-tert-butyl-2-[3-tert-butyl-5-[[10-(4-tert-butyl-2-pyridinyl)-2,7,9,9-tetramethyl-4H-acridin-4-id-3-yl]oxy]benzene-6-id-1-yl]-4-methyl-5H-1,3-oxazole;platinum(2+) with MolForge

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Launch Full Analysis

Related Compounds

(3aS,9aS)-7-tert-butyl-2-[3-tert-butyl-5-[[10-(4-tert-butyl-2-pyridinyl)-2,7,9,9-tetramethyl-4H-acridin-4-id-3-yl]oxy]benzene-6-id-1-yl]-4,4-dideuterio-3a,6,8,9a-tetramethyl-9H-benzo[f][1,3]benzoxazole;platinum(2+)
CID 170934626
(3aR,8bR)-3a-tert-butyl-2-[3-tert-butyl-5-[[10-(4-tert-butyl-2-pyridinyl)-3,7-dimethyl-1H-phenothiazin-1-id-2-yl]oxy]benzene-6-id-1-yl]-4,4-dideuterio-6,7,8b-trimethylindeno[1,2-d][1,3]oxazole;platinum(2+)
CID 170935478
(4R)-2-[3-[[10-(4-tert-butyl-2-pyridinyl)-9,9-dimethyl-4H-acridin-4-id-3-yl]oxy]-5-[2,6-di(propan-2-yl)phenyl]benzene-2-id-1-yl]-4-cyclohexyl-4-methyl-5H-1,3-oxazole;platinum(2+)
CID 170934975
(4R)-4-tert-butyl-2-[3-[[6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-5-propan-2-ylbenzene-2-id-1-yl]-4-methyl-5H-1,3-oxazole;platinum(2+)
CID 170933817
(3aR,8bS)-8b-tert-butyl-2-[3-tert-butyl-5-[3-(7-tert-butyl-3,5,5-trimethylbenzo[b][1,8]naphthyridin-10-yl)-5-methylbenzene-2-id-1-yl]oxybenzene-6-id-1-yl]-3a,6,7-trimethyl-4H-indeno[2,1-d][1,3]oxazole;platinum(2+)
CID 170934919
CID 170935038
CID 170935038
CID 170935686
CID 170935686
(4R)-4-tert-butyl-2-[3-[10-(4-tert-butyl-2-pyridinyl)-9,9-dimethylacridin-3-yl]oxy-5-propan-2-ylphenyl]-4-methyl-5H-1,3-oxazole
CID 170934988
(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
(4R,5R)-2-[3-tert-butyl-5-[3-(7-tert-butyl-4,5,5-trimethylbenzo[b][1,8]naphthyridin-10-yl)-5-methylbenzene-2-id-1-yl]oxybenzene-6-id-1-yl]-4,5-diphenyl-4,5-dihydro-1,3-oxazole;platinum(2+)
CID 170933383
(2S,6R)-4-[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]-2,6-dimethyl-3-oxa-5-azatetracyclo[12.4.0.02,6.08,13]octadeca-1(18),4,8,10,12,14,16-heptaene;platinum(2+)
CID 170934809
(4R,5R)-2-[3-[[10-(4-tert-butyl-2-pyridinyl)-9,9-dimethyl-4H-acridin-4-id-3-yl]oxy]-5-phenylbenzene-2-id-1-yl]-4-cyclohexyl-5-phenyl-4,5-dihydro-1,3-oxazole;platinum(2+)
CID 170932557

Frequently Asked Questions

What is the IUPAC name of (4R)-4-tert-butyl-2-[3-tert-butyl-5-[[10-(4-tert-butyl-2-pyridinyl)-2,7,9,9-tetramethyl-4H-acridin-4-id-3-yl]oxy]benzene-6-id-1-yl]-4-methyl-5H-1,3-oxazole;platinum(2+)?
The IUPAC name of (4R)-4-tert-butyl-2-[3-tert-butyl-5-[[10-(4-tert-butyl-2-pyridinyl)-2,7,9,9-tetramethyl-4H-acridin-4-id-3-yl]oxy]benzene-6-id-1-yl]-4-methyl-5H-1,3-oxazole;platinum(2+) (CID 170935450) is (4R)-4-tert-butyl-2-[3-tert-butyl-5-[[10-(4-tert-butyl-2-pyridinyl)-2,7,9,9-tetramethyl-4H-acridin-4-id-3-yl]oxy]benzene-6-id-1-yl]-4-methyl-5H-1,3-oxazole;platinum(2+).
What is the SMILES notation for (4R)-4-tert-butyl-2-[3-tert-butyl-5-[[10-(4-tert-butyl-2-pyridinyl)-2,7,9,9-tetramethyl-4H-acridin-4-id-3-yl]oxy]benzene-6-id-1-yl]-4-methyl-5H-1,3-oxazole;platinum(2+)?
The canonical SMILES for (4R)-4-tert-butyl-2-[3-tert-butyl-5-[[10-(4-tert-butyl-2-pyridinyl)-2,7,9,9-tetramethyl-4H-acridin-4-id-3-yl]oxy]benzene-6-id-1-yl]-4-methyl-5H-1,3-oxazole;platinum(2+) is Cc1ccc2c(c1)C(C)(C)c1cc(C)c(Oc3[c-]c(C4=N[C@](C)(C(C)(C)C)CO4)cc(C(C)(C)C)c3)[c-]c1N2c1cc(C(C)(C)C)ccn1.[Pt+2].
What is the InChIKey of (4R)-4-tert-butyl-2-[3-tert-butyl-5-[[10-(4-tert-butyl-2-pyridinyl)-2,7,9,9-tetramethyl-4H-acridin-4-id-3-yl]oxy]benzene-6-id-1-yl]-4-methyl-5H-1,3-oxazole;platinum(2+)?
The InChIKey is PQEUFYYLOKMZOU-OXRPNXAASA-N. The full InChI is InChI=1S/C44H53N3O2.Pt/c1-27-15-16-35-33(19-27)43(12,13)34-20-28(2)37(25-36(34)47(35)38-24-30(17-18-45-38)40(3,4)5)49-32-22-29(21-31(23-32)41(6,7)8)39-46-44(14,26-48-39)42(9,10)11;/h15-21,23-24H,26H2,1-14H3;/q-2;+2/t44-;/m0./s1.
What are the key properties of (4R)-4-tert-butyl-2-[3-tert-butyl-5-[[10-(4-tert-butyl-2-pyridinyl)-2,7,9,9-tetramethyl-4H-acridin-4-id-3-yl]oxy]benzene-6-id-1-yl]-4-methyl-5H-1,3-oxazole;platinum(2+)?
(4R)-4-tert-butyl-2-[3-tert-butyl-5-[[10-(4-tert-butyl-2-pyridinyl)-2,7,9,9-tetramethyl-4H-acridin-4-id-3-yl]oxy]benzene-6-id-1-yl]-4-methyl-5H-1,3-oxazole;platinum(2+) has a molecular weight of 851.00 g/mol, XLogP of 11.37, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-tert-butyl-2-[3-tert-butyl-5-[[10-(4-tert-butyl-2-pyridinyl)-2,7,9,9-tetramethyl-4H-acridin-4-id-3-yl]oxy]benzene-6-id-1-yl]-4-methyl-5H-1,3-oxazole;platinum(2+) is sourced from PubChem (CID 170935450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).