9-(4-tert-butyl-2-pyridinyl)-2-[[4-(3-methyl-3H-pyrazol-2-id-1-yl)-3H-dibenzofuran-3-id-2-yl]oxy]-1H-carbazol-1-ide;platinum

C37H29N4O2Pt-3 — CID 162445681

About 9-(4-tert-butyl-2-pyridinyl)-2-[[4-(3-methyl-3H-pyrazol-2-id-1-yl)-3H-dibenzofuran-3-id-2-yl]oxy]-1H-carbazol-1-ide;platinum

9-(4-tert-butyl-2-pyridinyl)-2-[[4-(3-methyl-3H-pyrazol-2-id-1-yl)-3H-dibenzofuran-3-id-2-yl]oxy]-1H-carbazol-1-ide;platinum (PubChem CID 162445681) has the molecular formula C37H29N4O2Pt-3 and a molecular weight of 756.74 g/mol. Its IUPAC name is 9-(4-tert-butyl-2-pyridinyl)-2-[[4-(3-methyl-3H-pyrazol-2-id-1-yl)-3H-dibenzofuran-3-id-2-yl]oxy]-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 9-(4-tert-butyl-2-pyridinyl)-2-[[4-(3-methyl-3H-pyrazol-2-id-1-yl)-3H-dibenzofuran-3-id-2-yl]oxy]-1H-carbazol-1-ide;platinum
• PubChem CID: 162445681
• Molecular Formula: C37H29N4O2Pt-3
• Molecular Weight: 756.74 g/mol
• Exact Mass: 756.20
• IUPAC Name: 9-(4-tert-butyl-2-pyridinyl)-2-[[4-(3-methyl-3H-pyrazol-2-id-1-yl)-3H-dibenzofuran-3-id-2-yl]oxy]-1H-carbazol-1-ide;platinum
• SMILES: CC1C=CN(c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3cc(C(C)(C)C)ccn3)cc3c2oc2ccccc23)[N-]1.[Pt]
• InChI: InChI=1S/C37H29N4O2.Pt/c1-23-16-18-40(39-23)33-22-26(20-30-29-10-6-8-12-34(29)43-36(30)33)42-25-13-14-28-27-9-5-7-11-31(27)41(32(28)21-25)35-19-24(15-17-38-35)37(2,3)4;/h5-20,23H,1-4H3;/q-3
• InChIKey: KQQBCPXRLRELSZ-UHFFFAOYSA-N
• XLogP: 9.78
• TPSA: 57.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	756.74
LogP ≤ 5	9.78
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 9-(4-tert-butyl-2-pyridinyl)-2-[[4-(3-methyl-3H-pyrazol-2-id-1-yl)-3H-dibenzofuran-3-id-2-yl]oxy]-1H-carbazol-1-ide;platinum?

The IUPAC name of 9-(4-tert-butyl-2-pyridinyl)-2-[[4-(3-methyl-3H-pyrazol-2-id-1-yl)-3H-dibenzofuran-3-id-2-yl]oxy]-1H-carbazol-1-ide;platinum (CID 162445681) is 9-(4-tert-butyl-2-pyridinyl)-2-[[4-(3-methyl-3H-pyrazol-2-id-1-yl)-3H-dibenzofuran-3-id-2-yl]oxy]-1H-carbazol-1-ide;platinum.

What is the SMILES notation for 9-(4-tert-butyl-2-pyridinyl)-2-[[4-(3-methyl-3H-pyrazol-2-id-1-yl)-3H-dibenzofuran-3-id-2-yl]oxy]-1H-carbazol-1-ide;platinum?

The canonical SMILES for 9-(4-tert-butyl-2-pyridinyl)-2-[[4-(3-methyl-3H-pyrazol-2-id-1-yl)-3H-dibenzofuran-3-id-2-yl]oxy]-1H-carbazol-1-ide;platinum is CC1C=CN(c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3cc(C(C)(C)C)ccn3)cc3c2oc2ccccc23)[N-]1.[Pt].

What is the InChIKey of 9-(4-tert-butyl-2-pyridinyl)-2-[[4-(3-methyl-3H-pyrazol-2-id-1-yl)-3H-dibenzofuran-3-id-2-yl]oxy]-1H-carbazol-1-ide;platinum?

The InChIKey is KQQBCPXRLRELSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H29N4O2.Pt/c1-23-16-18-40(39-23)33-22-26(20-30-29-10-6-8-12-34(29)43-36(30)33)42-25-13-14-28-27-9-5-7-11-31(27)41(32(28)21-25)35-19-24(15-17-38-35)37(2,3)4;/h5-20,23H,1-4H3;/q-3;.

What are the key properties of 9-(4-tert-butyl-2-pyridinyl)-2-[[4-(3-methyl-3H-pyrazol-2-id-1-yl)-3H-dibenzofuran-3-id-2-yl]oxy]-1H-carbazol-1-ide;platinum?

9-(4-tert-butyl-2-pyridinyl)-2-[[4-(3-methyl-3H-pyrazol-2-id-1-yl)-3H-dibenzofuran-3-id-2-yl]oxy]-1H-carbazol-1-ide;platinum has a molecular weight of 756.74 g/mol, XLogP of 9.78, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(4-tert-butyl-2-pyridinyl)-2-[[4-(3-methyl-3H-pyrazol-2-id-1-yl)-3H-dibenzofuran-3-id-2-yl]oxy]-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 162445681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).