(3aS,8bR)-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]-4,4-dideuterio-3a,8b-dimethylindeno[1,2-d][1,3]oxazole;platinum(2+)

C46H47N3O2Pt — CID 170933447

IUPAC(3aS,8bR)-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]-4,4-dideuterio-3a,8b-dimethylindeno[1,2-d][1,3]oxazole;platinum(2+)
SMILES[2H]C1([2H])c2ccccc2[C@@]2(C)N=C(c3[c-]c(Oc4[c-]c5c(cc4)c4cc(C(C)(C)C)ccc4n5-c4cc(C(C)(C)C)ccn4)cc(C(C)C)c3)O[C@@]12C.[Pt+2]
InChIInChI=1S/C46H47N3O2.Pt/c1-28(2)30-21-31(42-48-46(10)38-14-12-11-13-29(38)27-45(46,9)51-42)23-35(22-30)50-34-16-17-36-37-24-32(43(3,4)5)15-18-39(37)49(40(36)26-34)41-25-33(19-20-47-41)44(6,7)8;/h11-22,24-25,28H,27H2,1-10H3;/q-2;+2/t45-,46+;/m0./s1/i27D2;
InChIKeyZVIJVLVDZXEZCL-MZPIERASSA-N
MW870.99 g/mol
LogP11.29
Rot. Bonds5

About (3aS,8bR)-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]-4,4-dideuterio-3a,8b-dimethylindeno[1,2-d][1,3]oxazole;platinum(2+)

(3aS,8bR)-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]-4,4-dideuterio-3a,8b-dimethylindeno[1,2-d][1,3]oxazole;platinum(2+) (PubChem CID 170933447) has the molecular formula C46H47N3O2Pt and a molecular weight of 870.99 g/mol. Its IUPAC name is (3aS,8bR)-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]-4,4-dideuterio-3a,8b-dimethylindeno[1,2-d][1,3]oxazole;platinum(2+).

Molecular Properties

Compound Name(3aS,8bR)-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]-4,4-dideuterio-3a,8b-dimethylindeno[1,2-d][1,3]oxazole;platinum(2+)
PubChem CID170933447
Molecular FormulaC46H47N3O2Pt
Molecular Weight870.99 g/mol
Exact Mass870.34
IUPAC Name(3aS,8bR)-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]-4,4-dideuterio-3a,8b-dimethylindeno[1,2-d][1,3]oxazole;platinum(2+)
SMILES[2H]C1([2H])c2ccccc2[C@@]2(C)N=C(c3[c-]c(Oc4[c-]c5c(cc4)c4cc(C(C)(C)C)ccc4n5-c4cc(C(C)(C)C)ccn4)cc(C(C)C)c3)O[C@@]12C.[Pt+2]
InChIInChI=1S/C46H47N3O2.Pt/c1-28(2)30-21-31(42-48-46(10)38-14-12-11-13-29(38)27-45(46,9)51-42)23-35(22-30)50-34-16-17-36-37-24-32(43(3,4)5)15-18-39(37)49(40(36)26-34)41-25-33(19-20-47-41)44(6,7)8;/h11-22,24-25,28H,27H2,1-10H3;/q-2;+2/t45-,46+;/m0./s1/i27D2;
InChIKeyZVIJVLVDZXEZCL-MZPIERASSA-N
XLogP11.29
TPSA48.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500870.99
LogP ≤ 511.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (3aS,8bR)-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]-4,4-dideuterio-3a,8b-dimethylindeno[1,2-d][1,3]oxazole;platinum(2+) with MolForge

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Related Compounds

(3aR,6aS)-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]-3a,6a-dimethyl-5,6-dihydro-4H-cyclopenta[d][1,3]oxazole;platinum(2+)
CID 170932597
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]-4,4-dimethyl-5H-1,3-oxazole;platinum(2+)
CID 170933227
(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
(4R)-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-cyclopentyl-4-methyl-5H-1,3-oxazole;platinum(2+)
CID 170933676
(4R)-2-[3-tert-butyl-5-[[6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-6-id-1-yl]-4,5,5-trimethyl-4-phenyl-1,3-oxazole;platinum(2+)
CID 170933458
(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
(4R)-2-[3-[[6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-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 170933280
(3aS,8bR)-2-[3-[3-(7-tert-butyl-5,5-dimethylbenzo[b][1,8]naphthyridin-10-yl)-5-methylbenzene-2-id-1-yl]oxy-5-propan-2-ylbenzene-2-id-1-yl]-4,4-dideuterio-3a,5,6,8b-tetramethylindeno[1,2-d][1,3]oxazole;platinum(2+)
CID 170935562
(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
9-(4-tert-butyl-2-pyridinyl)-2-[3-[4-(2,3,4,5,6-pentamethylphenyl)pyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+)
CID 153414635
(5S)-2-[5-[[6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-2,4-dimethylbenzene-6-id-1-yl]-4,4,5-trimethyl-5-phenyl-1,3-oxazole;platinum(2+)
CID 170934015
9-(4-tert-butyl-2-pyridinyl)-2-[[9-(4-tert-butyl-2-pyridinyl)-6-carbazol-9-yl-1H-carbazol-1-id-2-yl]oxy]-6-(9-phenylcarbazol-3-yl)-1H-carbazol-1-ide;platinum(2+)
CID 162446598

Frequently Asked Questions

What is the IUPAC name of (3aS,8bR)-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]-4,4-dideuterio-3a,8b-dimethylindeno[1,2-d][1,3]oxazole;platinum(2+)?
The IUPAC name of (3aS,8bR)-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]-4,4-dideuterio-3a,8b-dimethylindeno[1,2-d][1,3]oxazole;platinum(2+) (CID 170933447) is (3aS,8bR)-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]-4,4-dideuterio-3a,8b-dimethylindeno[1,2-d][1,3]oxazole;platinum(2+).
What is the SMILES notation for (3aS,8bR)-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]-4,4-dideuterio-3a,8b-dimethylindeno[1,2-d][1,3]oxazole;platinum(2+)?
The canonical SMILES for (3aS,8bR)-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]-4,4-dideuterio-3a,8b-dimethylindeno[1,2-d][1,3]oxazole;platinum(2+) is [2H]C1([2H])c2ccccc2[C@@]2(C)N=C(c3[c-]c(Oc4[c-]c5c(cc4)c4cc(C(C)(C)C)ccc4n5-c4cc(C(C)(C)C)ccn4)cc(C(C)C)c3)O[C@@]12C.[Pt+2].
What is the InChIKey of (3aS,8bR)-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]-4,4-dideuterio-3a,8b-dimethylindeno[1,2-d][1,3]oxazole;platinum(2+)?
The InChIKey is ZVIJVLVDZXEZCL-MZPIERASSA-N. The full InChI is InChI=1S/C46H47N3O2.Pt/c1-28(2)30-21-31(42-48-46(10)38-14-12-11-13-29(38)27-45(46,9)51-42)23-35(22-30)50-34-16-17-36-37-24-32(43(3,4)5)15-18-39(37)49(40(36)26-34)41-25-33(19-20-47-41)44(6,7)8;/h11-22,24-25,28H,27H2,1-10H3;/q-2;+2/t45-,46+;/m0./s1/i27D2;.
What are the key properties of (3aS,8bR)-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]-4,4-dideuterio-3a,8b-dimethylindeno[1,2-d][1,3]oxazole;platinum(2+)?
(3aS,8bR)-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]-4,4-dideuterio-3a,8b-dimethylindeno[1,2-d][1,3]oxazole;platinum(2+) has a molecular weight of 870.99 g/mol, XLogP of 11.29, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,8bR)-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]-4,4-dideuterio-3a,8b-dimethylindeno[1,2-d][1,3]oxazole;platinum(2+) is sourced from PubChem (CID 170933447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).