(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+)

C53H61N3O2Pt — CID 170933280

IUPAC(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+)
SMILESCC(C)c1cccc(C(C)C)c1-c1cc(Oc2[c-]c3c(cc2)c2cc(C(C)(C)C)ccc2n3-c2cc(C(C)(C)C)ccn2)[c-]c(C2=N[C@](C)(C3CCCCC3)CO2)c1.[Pt+2]
InChIInChI=1S/C53H61N3O2.Pt/c1-33(2)42-18-15-19-43(34(3)4)49(42)35-26-36(50-55-53(11,32-57-50)37-16-13-12-14-17-37)28-41(27-35)58-40-21-22-44-45-29-38(51(5,6)7)20-23-46(45)56(47(44)31-40)48-30-39(24-25-54-48)52(8,9)10;/h15,18-27,29-30,33-34,37H,12-14,16-17,32H2,1-11H3;/q-2;+2/t53-;/m0./s1
InChIKeyPOFBWPXAEYPLLQ-ZLXAPJAGSA-N
MW967.17 g/mol
LogP14.19
Rot. Bonds8

About (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+)

(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+) (PubChem CID 170933280) has the molecular formula C53H61N3O2Pt and a molecular weight of 967.17 g/mol. Its IUPAC name is (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+).

Molecular Properties

Compound Name(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+)
PubChem CID170933280
Molecular FormulaC53H61N3O2Pt
Molecular Weight967.17 g/mol
Exact Mass966.44
IUPAC Name(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+)
SMILESCC(C)c1cccc(C(C)C)c1-c1cc(Oc2[c-]c3c(cc2)c2cc(C(C)(C)C)ccc2n3-c2cc(C(C)(C)C)ccn2)[c-]c(C2=N[C@](C)(C3CCCCC3)CO2)c1.[Pt+2]
InChIInChI=1S/C53H61N3O2.Pt/c1-33(2)42-18-15-19-43(34(3)4)49(42)35-26-36(50-55-53(11,32-57-50)37-16-13-12-14-17-37)28-41(27-35)58-40-21-22-44-45-29-38(51(5,6)7)20-23-46(45)56(47(44)31-40)48-30-39(24-25-54-48)52(8,9)10;/h15,18-27,29-30,33-34,37H,12-14,16-17,32H2,1-11H3;/q-2;+2/t53-;/m0./s1
InChIKeyPOFBWPXAEYPLLQ-ZLXAPJAGSA-N
XLogP14.19
TPSA48.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500967.17
LogP ≤ 514.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (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+) with MolForge

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Related Compounds

(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-[3-tert-butyl-5-(6-tert-butylpyrido[2,3-b]indol-9-yl)benzene-6-id-1-yl]oxy-5-[2,6-di(propan-2-yl)phenyl]benzene-2-id-1-yl]-4-cyclopentyl-4-methyl-5H-1,3-oxazole;platinum(2+)
CID 170933176
(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
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
(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
(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
(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
(4R)-2-[3-tert-butyl-5-[3-(6-tert-butyl-4-methylpyrido[2,3-b]indol-9-yl)-5-methylbenzene-2-id-1-yl]oxybenzene-6-id-1-yl]-4-cyclohexyl-4-methyl-5H-1,3-oxazole;platinum(2+)
CID 170935611
9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-2-id-1-yl]-5-[2,6-di(propan-2-yl)phenyl]benzene-2-id-1-yl]oxy-6-(2-phenylpropan-2-yl)-1H-carbazol-1-ide;platinum
CID 162449593
(4R)-2-[3-[6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-5-[2,6-di(propan-2-yl)phenyl]phenyl]-4-(2,4-dimethylpentan-3-yl)-4-methyl-5H-1,3-oxazole
CID 170933021
2-[3-[5-tert-butyl-3-(3,5-ditert-butylphenyl)-2H-benzimidazol-2-id-1-yl]-5-[2,6-di(propan-2-yl)phenyl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-6-(2-phenylpropan-2-yl)-1H-carbazol-1-ide;platinum
CID 162447296

Frequently Asked Questions

What is the IUPAC name of (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+)?
The IUPAC name of (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) is (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+).
What is the SMILES notation for (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+)?
The canonical SMILES for (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+) is CC(C)c1cccc(C(C)C)c1-c1cc(Oc2[c-]c3c(cc2)c2cc(C(C)(C)C)ccc2n3-c2cc(C(C)(C)C)ccn2)[c-]c(C2=N[C@](C)(C3CCCCC3)CO2)c1.[Pt+2].
What is the InChIKey of (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+)?
The InChIKey is POFBWPXAEYPLLQ-ZLXAPJAGSA-N. The full InChI is InChI=1S/C53H61N3O2.Pt/c1-33(2)42-18-15-19-43(34(3)4)49(42)35-26-36(50-55-53(11,32-57-50)37-16-13-12-14-17-37)28-41(27-35)58-40-21-22-44-45-29-38(51(5,6)7)20-23-46(45)56(47(44)31-40)48-30-39(24-25-54-48)52(8,9)10;/h15,18-27,29-30,33-34,37H,12-14,16-17,32H2,1-11H3;/q-2;+2/t53-;/m0./s1.
What are the key properties of (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+)?
(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+) has a molecular weight of 967.17 g/mol, XLogP of 14.19, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (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+) is sourced from PubChem (CID 170933280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).