9-(4-tert-butyl-2-pyridinyl)-2-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-6-(9-phenylcarbazol-1-yl)-1H-carbazol-1-ide;platinum(2+)

C60H47N5OPt — CID 162446547

About 9-(4-tert-butyl-2-pyridinyl)-2-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-6-(9-phenylcarbazol-1-yl)-1H-carbazol-1-ide;platinum(2+)

9-(4-tert-butyl-2-pyridinyl)-2-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-6-(9-phenylcarbazol-1-yl)-1H-carbazol-1-ide;platinum(2+) (PubChem CID 162446547) has the molecular formula C60H47N5OPt and a molecular weight of 1049.15 g/mol. Its IUPAC name is 9-(4-tert-butyl-2-pyridinyl)-2-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-6-(9-phenylcarbazol-1-yl)-1H-carbazol-1-ide;platinum(2+).

Molecular Properties

• Compound Name: 9-(4-tert-butyl-2-pyridinyl)-2-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-6-(9-phenylcarbazol-1-yl)-1H-carbazol-1-ide;platinum(2+)
• PubChem CID: 162446547
• Molecular Formula: C60H47N5OPt
• Molecular Weight: 1049.15 g/mol
• Exact Mass: 1048.34
• IUPAC Name: 9-(4-tert-butyl-2-pyridinyl)-2-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-6-(9-phenylcarbazol-1-yl)-1H-carbazol-1-ide;platinum(2+)
• SMILES: CC(C)(C)c1ccnc(-n2c3[c-]c(Oc4[c-]c5c(cc4)c4cc(-c6cccc7c8ccccc8n(-c8ccccc8)c67)ccc4n5-c4cc(C(C)(C)C)ccn4)ccc3c3ccccc32)c1.[Pt+2]
• InChI: InChI=1S/C60H47N5O.Pt/c1-59(2,3)39-29-31-61-56(34-39)64-52-22-13-10-17-45(52)47-26-24-42(36-54(47)64)66-43-25-27-48-50-33-38(23-28-53(50)65(55(48)37-43)57-35-40(30-32-62-57)60(4,5)6)44-19-14-20-49-46-18-11-12-21-51(46)63(58(44)49)41-15-8-7-9-16-41;/h7-35H,1-6H3;/q-2;+2
• InChIKey: FOGXLKDGZOARKC-UHFFFAOYSA-N
• XLogP: 15.42
• TPSA: 49.80 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1049.15
LogP ≤ 5	15.42
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 9-(4-tert-butyl-2-pyridinyl)-2-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-6-(9-phenylcarbazol-1-yl)-1H-carbazol-1-ide;platinum(2+)?

The IUPAC name of 9-(4-tert-butyl-2-pyridinyl)-2-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-6-(9-phenylcarbazol-1-yl)-1H-carbazol-1-ide;platinum(2+) (CID 162446547) is 9-(4-tert-butyl-2-pyridinyl)-2-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-6-(9-phenylcarbazol-1-yl)-1H-carbazol-1-ide;platinum(2+).

What is the SMILES notation for 9-(4-tert-butyl-2-pyridinyl)-2-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-6-(9-phenylcarbazol-1-yl)-1H-carbazol-1-ide;platinum(2+)?

The canonical SMILES for 9-(4-tert-butyl-2-pyridinyl)-2-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-6-(9-phenylcarbazol-1-yl)-1H-carbazol-1-ide;platinum(2+) is CC(C)(C)c1ccnc(-n2c3[c-]c(Oc4[c-]c5c(cc4)c4cc(-c6cccc7c8ccccc8n(-c8ccccc8)c67)ccc4n5-c4cc(C(C)(C)C)ccn4)ccc3c3ccccc32)c1.[Pt+2].

What is the InChIKey of 9-(4-tert-butyl-2-pyridinyl)-2-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-6-(9-phenylcarbazol-1-yl)-1H-carbazol-1-ide;platinum(2+)?

The InChIKey is FOGXLKDGZOARKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H47N5O.Pt/c1-59(2,3)39-29-31-61-56(34-39)64-52-22-13-10-17-45(52)47-26-24-42(36-54(47)64)66-43-25-27-48-50-33-38(23-28-53(50)65(55(48)37-43)57-35-40(30-32-62-57)60(4,5)6)44-19-14-20-49-46-18-11-12-21-51(46)63(58(44)49)41-15-8-7-9-16-41;/h7-35H,1-6H3;/q-2;+2.

What are the key properties of 9-(4-tert-butyl-2-pyridinyl)-2-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-6-(9-phenylcarbazol-1-yl)-1H-carbazol-1-ide;platinum(2+)?

9-(4-tert-butyl-2-pyridinyl)-2-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-6-(9-phenylcarbazol-1-yl)-1H-carbazol-1-ide;platinum(2+) has a molecular weight of 1049.15 g/mol, XLogP of 15.42, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(4-tert-butyl-2-pyridinyl)-2-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-6-(9-phenylcarbazol-1-yl)-1H-carbazol-1-ide;platinum(2+) is sourced from PubChem (CID 162446547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).