(4R,5S)-2-[3-[[9-(4-tert-butyl-2-pyridinyl)-6-methyl-1H-carbazol-1-id-2-yl]oxy]-5-phenylbenzene-2-id-1-yl]-5-phenyl-4-(trideuteriomethyl)-4,5-dihydro-1,3-oxazole;platinum(2+)

C44H37N3O2Pt — CID 170932316

About (4R,5S)-2-[3-[[9-(4-tert-butyl-2-pyridinyl)-6-methyl-1H-carbazol-1-id-2-yl]oxy]-5-phenylbenzene-2-id-1-yl]-5-phenyl-4-(trideuteriomethyl)-4,5-dihydro-1,3-oxazole;platinum(2+)

(4R,5S)-2-[3-[[9-(4-tert-butyl-2-pyridinyl)-6-methyl-1H-carbazol-1-id-2-yl]oxy]-5-phenylbenzene-2-id-1-yl]-5-phenyl-4-(trideuteriomethyl)-4,5-dihydro-1,3-oxazole;platinum(2+) (PubChem CID 170932316) has the molecular formula C44H37N3O2Pt and a molecular weight of 837.90 g/mol. Its IUPAC name is (4R,5S)-2-[3-[[9-(4-tert-butyl-2-pyridinyl)-6-methyl-1H-carbazol-1-id-2-yl]oxy]-5-phenylbenzene-2-id-1-yl]-5-phenyl-4-(trideuteriomethyl)-4,5-dihydro-1,3-oxazole;platinum(2+).

Molecular Properties

• Compound Name: (4R,5S)-2-[3-[[9-(4-tert-butyl-2-pyridinyl)-6-methyl-1H-carbazol-1-id-2-yl]oxy]-5-phenylbenzene-2-id-1-yl]-5-phenyl-4-(trideuteriomethyl)-4,5-dihydro-1,3-oxazole;platinum(2+)
• PubChem CID: 170932316
• Molecular Formula: C44H37N3O2Pt
• Molecular Weight: 837.90 g/mol
• Exact Mass: 837.27
• IUPAC Name: (4R,5S)-2-[3-[[9-(4-tert-butyl-2-pyridinyl)-6-methyl-1H-carbazol-1-id-2-yl]oxy]-5-phenylbenzene-2-id-1-yl]-5-phenyl-4-(trideuteriomethyl)-4,5-dihydro-1,3-oxazole;platinum(2+)
• SMILES: [2H]C([2H])([2H])[C@H]1N=C(c2[c-]c(Oc3[c-]c4c(cc3)c3cc(C)ccc3n4-c3cc(C(C)(C)C)ccn3)cc(-c3ccccc3)c2)O[C@H]1c1ccccc1.[Pt+2]
• InChI: InChI=1S/C44H37N3O2.Pt/c1-28-16-19-39-38(22-28)37-18-17-35(27-40(37)47(39)41-26-34(20-21-45-41)44(3,4)5)48-36-24-32(30-12-8-6-9-13-30)23-33(25-36)43-46-29(2)42(49-43)31-14-10-7-11-15-31;/h6-24,26,29,42H,1-5H3;/q-2;+2/t29-,42-;/m1./s1/i2D3
• InChIKey: ZBBKBMVMRBLARH-GDWWYNCQSA-N
• XLogP: 10.75
• TPSA: 48.64 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	837.90
LogP ≤ 5	10.75
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,5S)-2-[3-[[9-(4-tert-butyl-2-pyridinyl)-6-methyl-1H-carbazol-1-id-2-yl]oxy]-5-phenylbenzene-2-id-1-yl]-5-phenyl-4-(trideuteriomethyl)-4,5-dihydro-1,3-oxazole;platinum(2+)?

The IUPAC name of (4R,5S)-2-[3-[[9-(4-tert-butyl-2-pyridinyl)-6-methyl-1H-carbazol-1-id-2-yl]oxy]-5-phenylbenzene-2-id-1-yl]-5-phenyl-4-(trideuteriomethyl)-4,5-dihydro-1,3-oxazole;platinum(2+) (CID 170932316) is (4R,5S)-2-[3-[[9-(4-tert-butyl-2-pyridinyl)-6-methyl-1H-carbazol-1-id-2-yl]oxy]-5-phenylbenzene-2-id-1-yl]-5-phenyl-4-(trideuteriomethyl)-4,5-dihydro-1,3-oxazole;platinum(2+).

What is the SMILES notation for (4R,5S)-2-[3-[[9-(4-tert-butyl-2-pyridinyl)-6-methyl-1H-carbazol-1-id-2-yl]oxy]-5-phenylbenzene-2-id-1-yl]-5-phenyl-4-(trideuteriomethyl)-4,5-dihydro-1,3-oxazole;platinum(2+)?

The canonical SMILES for (4R,5S)-2-[3-[[9-(4-tert-butyl-2-pyridinyl)-6-methyl-1H-carbazol-1-id-2-yl]oxy]-5-phenylbenzene-2-id-1-yl]-5-phenyl-4-(trideuteriomethyl)-4,5-dihydro-1,3-oxazole;platinum(2+) is [2H]C([2H])([2H])[C@H]1N=C(c2[c-]c(Oc3[c-]c4c(cc3)c3cc(C)ccc3n4-c3cc(C(C)(C)C)ccn3)cc(-c3ccccc3)c2)O[C@H]1c1ccccc1.[Pt+2].

What is the InChIKey of (4R,5S)-2-[3-[[9-(4-tert-butyl-2-pyridinyl)-6-methyl-1H-carbazol-1-id-2-yl]oxy]-5-phenylbenzene-2-id-1-yl]-5-phenyl-4-(trideuteriomethyl)-4,5-dihydro-1,3-oxazole;platinum(2+)?

The InChIKey is ZBBKBMVMRBLARH-GDWWYNCQSA-N. The full InChI is InChI=1S/C44H37N3O2.Pt/c1-28-16-19-39-38(22-28)37-18-17-35(27-40(37)47(39)41-26-34(20-21-45-41)44(3,4)5)48-36-24-32(30-12-8-6-9-13-30)23-33(25-36)43-46-29(2)42(49-43)31-14-10-7-11-15-31;/h6-24,26,29,42H,1-5H3;/q-2;+2/t29-,42-;/m1./s1/i2D3;.

What are the key properties of (4R,5S)-2-[3-[[9-(4-tert-butyl-2-pyridinyl)-6-methyl-1H-carbazol-1-id-2-yl]oxy]-5-phenylbenzene-2-id-1-yl]-5-phenyl-4-(trideuteriomethyl)-4,5-dihydro-1,3-oxazole;platinum(2+)?

(4R,5S)-2-[3-[[9-(4-tert-butyl-2-pyridinyl)-6-methyl-1H-carbazol-1-id-2-yl]oxy]-5-phenylbenzene-2-id-1-yl]-5-phenyl-4-(trideuteriomethyl)-4,5-dihydro-1,3-oxazole;platinum(2+) has a molecular weight of 837.90 g/mol, XLogP of 10.75, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (4R,5S)-2-[3-[[9-(4-tert-butyl-2-pyridinyl)-6-methyl-1H-carbazol-1-id-2-yl]oxy]-5-phenylbenzene-2-id-1-yl]-5-phenyl-4-(trideuteriomethyl)-4,5-dihydro-1,3-oxazole;platinum(2+) is sourced from PubChem (CID 170932316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).