(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+)

C47H51N3O2Pt — CID 170933458

IUPAC(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+)
SMILESCC(C)(C)c1cc(Oc2[c-]c3c(cc2)c2cc(C(C)(C)C)ccc2n3-c2cc(C(C)(C)C)ccn2)[c-]c(C2=N[C@](C)(c3ccccc3)C(C)(C)O2)c1.[Pt+2]
InChIInChI=1S/C47H51N3O2.Pt/c1-43(2,3)32-18-21-39-38(27-32)37-20-19-35(29-40(37)50(39)41-28-33(22-23-48-41)44(4,5)6)51-36-25-30(24-34(26-36)45(7,8)9)42-49-47(12,46(10,11)52-42)31-16-14-13-15-17-31;/h13-24,26-28H,1-12H3;/q-2;+2/t47-;/m1./s1
InChIKeyBHXYUWGQNOLJQI-QBGRQLKXSA-N
MW885.02 g/mol
LogP11.93
Rot. Bonds5

About (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+)

(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+) (PubChem CID 170933458) has the molecular formula C47H51N3O2Pt and a molecular weight of 885.02 g/mol. Its IUPAC name is (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+).

Molecular Properties

Compound Name(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+)
PubChem CID170933458
Molecular FormulaC47H51N3O2Pt
Molecular Weight885.02 g/mol
Exact Mass884.36
IUPAC Name(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+)
SMILESCC(C)(C)c1cc(Oc2[c-]c3c(cc2)c2cc(C(C)(C)C)ccc2n3-c2cc(C(C)(C)C)ccn2)[c-]c(C2=N[C@](C)(c3ccccc3)C(C)(C)O2)c1.[Pt+2]
InChIInChI=1S/C47H51N3O2.Pt/c1-43(2,3)32-18-21-39-38(27-32)37-20-19-35(29-40(37)50(39)41-28-33(22-23-48-41)44(4,5)6)51-36-25-30(24-34(26-36)45(7,8)9)42-49-47(12,46(10,11)52-42)31-16-14-13-15-17-31;/h13-24,26-28H,1-12H3;/q-2;+2/t47-;/m1./s1
InChIKeyBHXYUWGQNOLJQI-QBGRQLKXSA-N
XLogP11.93
TPSA48.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms53
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500885.02
LogP ≤ 511.93
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-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+) with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of (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+)?
The IUPAC name of (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) is (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+).
What is the SMILES notation for (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+)?
The canonical SMILES for (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+) is CC(C)(C)c1cc(Oc2[c-]c3c(cc2)c2cc(C(C)(C)C)ccc2n3-c2cc(C(C)(C)C)ccn2)[c-]c(C2=N[C@](C)(c3ccccc3)C(C)(C)O2)c1.[Pt+2].
What is the InChIKey of (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+)?
The InChIKey is BHXYUWGQNOLJQI-QBGRQLKXSA-N. The full InChI is InChI=1S/C47H51N3O2.Pt/c1-43(2,3)32-18-21-39-38(27-32)37-20-19-35(29-40(37)50(39)41-28-33(22-23-48-41)44(4,5)6)51-36-25-30(24-34(26-36)45(7,8)9)42-49-47(12,46(10,11)52-42)31-16-14-13-15-17-31;/h13-24,26-28H,1-12H3;/q-2;+2/t47-;/m1./s1.
What are the key properties of (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+)?
(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+) has a molecular weight of 885.02 g/mol, XLogP of 11.93, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (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+) is sourced from PubChem (CID 170933458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).