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+)

C39H43N3O2Pt — CID 170933227

About 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+)

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+) (PubChem CID 170933227) has the molecular formula C39H43N3O2Pt and a molecular weight of 780.87 g/mol. Its IUPAC name is 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+).

Molecular Properties

• Compound Name: 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+)
• PubChem CID: 170933227
• Molecular Formula: C39H43N3O2Pt
• Molecular Weight: 780.87 g/mol
• Exact Mass: 780.30
• IUPAC Name: 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+)
• SMILES: CC(C)c1cc(Oc2[c-]c3c(cc2)c2cc(C(C)(C)C)ccc2n3-c2cc(C(C)(C)C)ccn2)[c-]c(C2=NC(C)(C)CO2)c1.[Pt+2]
• InChI: InChI=1S/C39H43N3O2.Pt/c1-24(2)25-17-26(36-41-39(9,10)23-43-36)19-30(18-25)44-29-12-13-31-32-20-27(37(3,4)5)11-14-33(32)42(34(31)22-29)35-21-28(15-16-40-35)38(6,7)8;/h11-18,20-21,24H,23H2,1-10H3;/q-2;+2
• InChIKey: LIUFOWHOUCVMDS-UHFFFAOYSA-N
• XLogP: 9.84
• TPSA: 48.64 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	780.87
LogP ≤ 5	9.84
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 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+)?

The IUPAC name of 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) is 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+).

What is the SMILES notation for 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+)?

The canonical SMILES for 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+) is CC(C)c1cc(Oc2[c-]c3c(cc2)c2cc(C(C)(C)C)ccc2n3-c2cc(C(C)(C)C)ccn2)[c-]c(C2=NC(C)(C)CO2)c1.[Pt+2].

What is the InChIKey of 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+)?

The InChIKey is LIUFOWHOUCVMDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H43N3O2.Pt/c1-24(2)25-17-26(36-41-39(9,10)23-43-36)19-30(18-25)44-29-12-13-31-32-20-27(37(3,4)5)11-14-33(32)42(34(31)22-29)35-21-28(15-16-40-35)38(6,7)8;/h11-18,20-21,24H,23H2,1-10H3;/q-2;+2.

What are the key properties of 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+)?

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+) has a molecular weight of 780.87 g/mol, XLogP of 9.84, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 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+) is sourced from PubChem (CID 170933227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).