10-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-12-pyridin-2-yl-11H-[1]benzothiolo[3,2-a]carbazol-11-ide;platinum(2+)

C44H30N4OPtS — CID 176782344

About 10-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-12-pyridin-2-yl-11H-[1]benzothiolo[3,2-a]carbazol-11-ide;platinum(2+)

10-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-12-pyridin-2-yl-11H-[1]benzothiolo[3,2-a]carbazol-11-ide;platinum(2+) (PubChem CID 176782344) has the molecular formula C44H30N4OPtS and a molecular weight of 857.90 g/mol. Its IUPAC name is 10-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-12-pyridin-2-yl-11H-[1]benzothiolo[3,2-a]carbazol-11-ide;platinum(2+).

Molecular Properties

• Compound Name: 10-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-12-pyridin-2-yl-11H-[1]benzothiolo[3,2-a]carbazol-11-ide;platinum(2+)
• PubChem CID: 176782344
• Molecular Formula: C44H30N4OPtS
• Molecular Weight: 857.90 g/mol
• Exact Mass: 857.18
• IUPAC Name: 10-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-12-pyridin-2-yl-11H-[1]benzothiolo[3,2-a]carbazol-11-ide;platinum(2+)
• SMILES: CC(C)(C)c1ccnc(-n2c3[c-]c(Oc4[c-]c5c(cc4)c4ccc6sc7ccccc7c6c4n5-c4ccccn4)ccc3c3ccccc32)c1.[Pt+2]
• InChI: InChI=1S/C44H30N4OS.Pt/c1-44(2,3)27-21-23-46-41(24-27)47-35-12-6-4-10-30(35)31-17-15-28(25-36(31)47)49-29-16-18-32-33-19-20-39-42(34-11-5-7-13-38(34)50-39)43(33)48(37(32)26-29)40-14-8-9-22-45-40;/h4-24H,1-3H3;/q-2;+2
• InChIKey: IUOFCLTUHULJJB-UHFFFAOYSA-N
• XLogP: 11.73
• TPSA: 44.87 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	857.90
LogP ≤ 5	11.73
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 10-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-12-pyridin-2-yl-11H-[1]benzothiolo[3,2-a]carbazol-11-ide;platinum(2+)?

The IUPAC name of 10-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-12-pyridin-2-yl-11H-[1]benzothiolo[3,2-a]carbazol-11-ide;platinum(2+) (CID 176782344) is 10-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-12-pyridin-2-yl-11H-[1]benzothiolo[3,2-a]carbazol-11-ide;platinum(2+).

What is the SMILES notation for 10-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-12-pyridin-2-yl-11H-[1]benzothiolo[3,2-a]carbazol-11-ide;platinum(2+)?

The canonical SMILES for 10-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-12-pyridin-2-yl-11H-[1]benzothiolo[3,2-a]carbazol-11-ide;platinum(2+) is CC(C)(C)c1ccnc(-n2c3[c-]c(Oc4[c-]c5c(cc4)c4ccc6sc7ccccc7c6c4n5-c4ccccn4)ccc3c3ccccc32)c1.[Pt+2].

What is the InChIKey of 10-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-12-pyridin-2-yl-11H-[1]benzothiolo[3,2-a]carbazol-11-ide;platinum(2+)?

The InChIKey is IUOFCLTUHULJJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H30N4OS.Pt/c1-44(2,3)27-21-23-46-41(24-27)47-35-12-6-4-10-30(35)31-17-15-28(25-36(31)47)49-29-16-18-32-33-19-20-39-42(34-11-5-7-13-38(34)50-39)43(33)48(37(32)26-29)40-14-8-9-22-45-40;/h4-24H,1-3H3;/q-2;+2.

What are the key properties of 10-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-12-pyridin-2-yl-11H-[1]benzothiolo[3,2-a]carbazol-11-ide;platinum(2+)?

10-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-12-pyridin-2-yl-11H-[1]benzothiolo[3,2-a]carbazol-11-ide;platinum(2+) has a molecular weight of 857.90 g/mol, XLogP of 11.73, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 10-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-12-pyridin-2-yl-11H-[1]benzothiolo[3,2-a]carbazol-11-ide;platinum(2+) is sourced from PubChem (CID 176782344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).