5-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-5-isocyanobenzene-2-id-1-yl]-2-methylthieno[2,3-c]pyridine;platinum(2+)

C36H26N4OPtS — CID 155636207

About 5-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-5-isocyanobenzene-2-id-1-yl]-2-methylthieno[2,3-c]pyridine;platinum(2+)

5-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-5-isocyanobenzene-2-id-1-yl]-2-methylthieno[2,3-c]pyridine;platinum(2+) (PubChem CID 155636207) has the molecular formula C36H26N4OPtS and a molecular weight of 757.78 g/mol. Its IUPAC name is 5-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-5-isocyanobenzene-2-id-1-yl]-2-methylthieno[2,3-c]pyridine;platinum(2+).

Molecular Properties

• Compound Name: 5-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-5-isocyanobenzene-2-id-1-yl]-2-methylthieno[2,3-c]pyridine;platinum(2+)
• PubChem CID: 155636207
• Molecular Formula: C36H26N4OPtS
• Molecular Weight: 757.78 g/mol
• Exact Mass: 757.15
• IUPAC Name: 5-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-5-isocyanobenzene-2-id-1-yl]-2-methylthieno[2,3-c]pyridine;platinum(2+)
• SMILES: [C-]#[N+]c1cc(Oc2[c-]c3c(cc2)c2ccccc2n3-c2cc(C(C)(C)C)ccn2)[c-]c(-c2cc3cc(C)sc3cn2)c1.[Pt+2]
• InChI: InChI=1S/C36H26N4OS.Pt/c1-22-14-24-17-31(39-21-34(24)42-22)23-15-26(37-5)19-28(16-23)41-27-10-11-30-29-8-6-7-9-32(29)40(33(30)20-27)35-18-25(12-13-38-35)36(2,3)4;/h6-15,17-19,21H,1-4H3;/q-2;+2
• InChIKey: QQUOBQVSUJBSSZ-UHFFFAOYSA-N
• XLogP: 10.00
• TPSA: 44.30 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	757.78
LogP ≤ 5	10.00
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 5-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-5-isocyanobenzene-2-id-1-yl]-2-methylthieno[2,3-c]pyridine;platinum(2+)?

The IUPAC name of 5-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-5-isocyanobenzene-2-id-1-yl]-2-methylthieno[2,3-c]pyridine;platinum(2+) (CID 155636207) is 5-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-5-isocyanobenzene-2-id-1-yl]-2-methylthieno[2,3-c]pyridine;platinum(2+).

What is the SMILES notation for 5-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-5-isocyanobenzene-2-id-1-yl]-2-methylthieno[2,3-c]pyridine;platinum(2+)?

The canonical SMILES for 5-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-5-isocyanobenzene-2-id-1-yl]-2-methylthieno[2,3-c]pyridine;platinum(2+) is [C-]#[N+]c1cc(Oc2[c-]c3c(cc2)c2ccccc2n3-c2cc(C(C)(C)C)ccn2)[c-]c(-c2cc3cc(C)sc3cn2)c1.[Pt+2].

What is the InChIKey of 5-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-5-isocyanobenzene-2-id-1-yl]-2-methylthieno[2,3-c]pyridine;platinum(2+)?

The InChIKey is QQUOBQVSUJBSSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H26N4OS.Pt/c1-22-14-24-17-31(39-21-34(24)42-22)23-15-26(37-5)19-28(16-23)41-27-10-11-30-29-8-6-7-9-32(29)40(33(30)20-27)35-18-25(12-13-38-35)36(2,3)4;/h6-15,17-19,21H,1-4H3;/q-2;+2.

What are the key properties of 5-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-5-isocyanobenzene-2-id-1-yl]-2-methylthieno[2,3-c]pyridine;platinum(2+)?

5-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-5-isocyanobenzene-2-id-1-yl]-2-methylthieno[2,3-c]pyridine;platinum(2+) has a molecular weight of 757.78 g/mol, XLogP of 10.00, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-5-isocyanobenzene-2-id-1-yl]-2-methylthieno[2,3-c]pyridine;platinum(2+) is sourced from PubChem (CID 155636207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).