7-(4-tert-butyl-2-pyridinyl)-9-[3-[4,5-diphenyl-3-(2,4,6-trimethylphenyl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-8H-[1]benzofuro[2,3-b]carbazol-8-ide;platinum

C57H45N4O2Pt-3 — CID 176781880

About 7-(4-tert-butyl-2-pyridinyl)-9-[3-[4,5-diphenyl-3-(2,4,6-trimethylphenyl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-8H-[1]benzofuro[2,3-b]carbazol-8-ide;platinum

7-(4-tert-butyl-2-pyridinyl)-9-[3-[4,5-diphenyl-3-(2,4,6-trimethylphenyl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-8H-[1]benzofuro[2,3-b]carbazol-8-ide;platinum (PubChem CID 176781880) has the molecular formula C57H45N4O2Pt-3 and a molecular weight of 1013.09 g/mol. Its IUPAC name is 7-(4-tert-butyl-2-pyridinyl)-9-[3-[4,5-diphenyl-3-(2,4,6-trimethylphenyl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-8H-[1]benzofuro[2,3-b]carbazol-8-ide;platinum.

Molecular Properties

• Compound Name: 7-(4-tert-butyl-2-pyridinyl)-9-[3-[4,5-diphenyl-3-(2,4,6-trimethylphenyl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-8H-[1]benzofuro[2,3-b]carbazol-8-ide;platinum
• PubChem CID: 176781880
• Molecular Formula: C57H45N4O2Pt-3
• Molecular Weight: 1013.09 g/mol
• Exact Mass: 1012.32
• IUPAC Name: 7-(4-tert-butyl-2-pyridinyl)-9-[3-[4,5-diphenyl-3-(2,4,6-trimethylphenyl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-8H-[1]benzofuro[2,3-b]carbazol-8-ide;platinum
• SMILES: Cc1cc(C)c(N2[CH-]N(c3[c-]c(Oc4[c-]c5c(cc4)c4cc6c(cc4n5-c4cc(C(C)(C)C)ccn4)oc4ccccc46)ccc3)C(c3ccccc3)=C2c2ccccc2)c(C)c1.[Pt]
• InChI: InChI=1S/C57H45N4O2.Pt/c1-36-28-37(2)54(38(3)29-36)60-35-59(55(39-16-9-7-10-17-39)56(60)40-18-11-8-12-19-40)42-20-15-21-43(31-42)62-44-24-25-45-47-33-48-46-22-13-14-23-51(46)63-52(48)34-50(47)61(49(45)32-44)53-30-41(26-27-58-53)57(4,5)6;/h7-30,33-35H,1-6H3;/q-3
• InChIKey: RUEKOEJPKAPLMC-UHFFFAOYSA-N
• XLogP: 14.66
• TPSA: 46.67 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1013.09
LogP ≤ 5	14.66
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 7-(4-tert-butyl-2-pyridinyl)-9-[3-[4,5-diphenyl-3-(2,4,6-trimethylphenyl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-8H-[1]benzofuro[2,3-b]carbazol-8-ide;platinum?

The IUPAC name of 7-(4-tert-butyl-2-pyridinyl)-9-[3-[4,5-diphenyl-3-(2,4,6-trimethylphenyl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-8H-[1]benzofuro[2,3-b]carbazol-8-ide;platinum (CID 176781880) is 7-(4-tert-butyl-2-pyridinyl)-9-[3-[4,5-diphenyl-3-(2,4,6-trimethylphenyl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-8H-[1]benzofuro[2,3-b]carbazol-8-ide;platinum.

What is the SMILES notation for 7-(4-tert-butyl-2-pyridinyl)-9-[3-[4,5-diphenyl-3-(2,4,6-trimethylphenyl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-8H-[1]benzofuro[2,3-b]carbazol-8-ide;platinum?

The canonical SMILES for 7-(4-tert-butyl-2-pyridinyl)-9-[3-[4,5-diphenyl-3-(2,4,6-trimethylphenyl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-8H-[1]benzofuro[2,3-b]carbazol-8-ide;platinum is Cc1cc(C)c(N2[CH-]N(c3[c-]c(Oc4[c-]c5c(cc4)c4cc6c(cc4n5-c4cc(C(C)(C)C)ccn4)oc4ccccc46)ccc3)C(c3ccccc3)=C2c2ccccc2)c(C)c1.[Pt].

What is the InChIKey of 7-(4-tert-butyl-2-pyridinyl)-9-[3-[4,5-diphenyl-3-(2,4,6-trimethylphenyl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-8H-[1]benzofuro[2,3-b]carbazol-8-ide;platinum?

The InChIKey is RUEKOEJPKAPLMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H45N4O2.Pt/c1-36-28-37(2)54(38(3)29-36)60-35-59(55(39-16-9-7-10-17-39)56(60)40-18-11-8-12-19-40)42-20-15-21-43(31-42)62-44-24-25-45-47-33-48-46-22-13-14-23-51(46)63-52(48)34-50(47)61(49(45)32-44)53-30-41(26-27-58-53)57(4,5)6;/h7-30,33-35H,1-6H3;/q-3;.

What are the key properties of 7-(4-tert-butyl-2-pyridinyl)-9-[3-[4,5-diphenyl-3-(2,4,6-trimethylphenyl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-8H-[1]benzofuro[2,3-b]carbazol-8-ide;platinum?

7-(4-tert-butyl-2-pyridinyl)-9-[3-[4,5-diphenyl-3-(2,4,6-trimethylphenyl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-8H-[1]benzofuro[2,3-b]carbazol-8-ide;platinum has a molecular weight of 1013.09 g/mol, XLogP of 14.66, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(4-tert-butyl-2-pyridinyl)-9-[3-[4,5-diphenyl-3-(2,4,6-trimethylphenyl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-8H-[1]benzofuro[2,3-b]carbazol-8-ide;platinum is sourced from PubChem (CID 176781880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).