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

C32H29N3OPt — CID 170932821

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

(4R)-4-tert-butyl-2-[3-methyl-5-[2-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-9-yl]benzene-6-id-1-yl]-4,5-dihydro-1,3-oxazole;platinum(2+) (PubChem CID 170932821) has the molecular formula C32H29N3OPt and a molecular weight of 666.68 g/mol. Its IUPAC name is (4R)-4-tert-butyl-2-[3-methyl-5-[2-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-9-yl]benzene-6-id-1-yl]-4,5-dihydro-1,3-oxazole;platinum(2+).

Molecular Properties

• Compound Name: (4R)-4-tert-butyl-2-[3-methyl-5-[2-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-9-yl]benzene-6-id-1-yl]-4,5-dihydro-1,3-oxazole;platinum(2+)
• PubChem CID: 170932821
• Molecular Formula: C32H29N3OPt
• Molecular Weight: 666.68 g/mol
• Exact Mass: 666.20
• IUPAC Name: (4R)-4-tert-butyl-2-[3-methyl-5-[2-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-9-yl]benzene-6-id-1-yl]-4,5-dihydro-1,3-oxazole;platinum(2+)
• SMILES: Cc1cc(C2=N[C@H](C(C)(C)C)CO2)[c-]c(-n2c3[c-]c(-c4cc(C)ccn4)ccc3c3ccccc32)c1.[Pt+2]
• InChI: InChI=1S/C32H29N3O.Pt/c1-20-12-13-33-27(16-20)22-10-11-26-25-8-6-7-9-28(25)35(29(26)18-22)24-15-21(2)14-23(17-24)31-34-30(19-36-31)32(3,4)5;/h6-16,30H,19H2,1-5H3;/q-2;+2/t30-;/m0./s1
• InChIKey: UXMGIDWLEWTPJL-CZCBIWLKSA-N
• XLogP: 7.25
• TPSA: 39.41 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	666.68
LogP ≤ 5	7.25
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (4R)-4-tert-butyl-2-[3-methyl-5-[2-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-9-yl]benzene-6-id-1-yl]-4,5-dihydro-1,3-oxazole;platinum(2+)?

The IUPAC name of (4R)-4-tert-butyl-2-[3-methyl-5-[2-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-9-yl]benzene-6-id-1-yl]-4,5-dihydro-1,3-oxazole;platinum(2+) (CID 170932821) is (4R)-4-tert-butyl-2-[3-methyl-5-[2-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-9-yl]benzene-6-id-1-yl]-4,5-dihydro-1,3-oxazole;platinum(2+).

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

The canonical SMILES for (4R)-4-tert-butyl-2-[3-methyl-5-[2-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-9-yl]benzene-6-id-1-yl]-4,5-dihydro-1,3-oxazole;platinum(2+) is Cc1cc(C2=N[C@H](C(C)(C)C)CO2)[c-]c(-n2c3[c-]c(-c4cc(C)ccn4)ccc3c3ccccc32)c1.[Pt+2].

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

The InChIKey is UXMGIDWLEWTPJL-CZCBIWLKSA-N. The full InChI is InChI=1S/C32H29N3O.Pt/c1-20-12-13-33-27(16-20)22-10-11-26-25-8-6-7-9-28(25)35(29(26)18-22)24-15-21(2)14-23(17-24)31-34-30(19-36-31)32(3,4)5;/h6-16,30H,19H2,1-5H3;/q-2;+2/t30-;/m0./s1.

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

(4R)-4-tert-butyl-2-[3-methyl-5-[2-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-9-yl]benzene-6-id-1-yl]-4,5-dihydro-1,3-oxazole;platinum(2+) has a molecular weight of 666.68 g/mol, XLogP of 7.25, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (4R)-4-tert-butyl-2-[3-methyl-5-[2-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-9-yl]benzene-6-id-1-yl]-4,5-dihydro-1,3-oxazole;platinum(2+) is sourced from PubChem (CID 170932821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).