2-[3-tert-butyl-5-[3-[4-tert-butyl-2-[3,5-di(propan-2-yl)phenyl]-6-(4-fluorophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum

C66H66FN4OPt-3 — CID 172530655

About 2-[3-tert-butyl-5-[3-[4-tert-butyl-2-[3,5-di(propan-2-yl)phenyl]-6-(4-fluorophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum

2-[3-tert-butyl-5-[3-[4-tert-butyl-2-[3,5-di(propan-2-yl)phenyl]-6-(4-fluorophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum (PubChem CID 172530655) has the molecular formula C66H66FN4OPt-3 and a molecular weight of 1145.36 g/mol. Its IUPAC name is 2-[3-tert-butyl-5-[3-[4-tert-butyl-2-[3,5-di(propan-2-yl)phenyl]-6-(4-fluorophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 2-[3-tert-butyl-5-[3-[4-tert-butyl-2-[3,5-di(propan-2-yl)phenyl]-6-(4-fluorophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum
• PubChem CID: 172530655
• Molecular Formula: C66H66FN4OPt-3
• Molecular Weight: 1145.36 g/mol
• Exact Mass: 1144.49
• IUPAC Name: 2-[3-tert-butyl-5-[3-[4-tert-butyl-2-[3,5-di(propan-2-yl)phenyl]-6-(4-fluorophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum
• SMILES: CC(C)c1cc(-c2cc(C(C)(C)C)cc(-c3ccc(F)cc3)c2N2[CH-]N(c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4cc(C(C)(C)C)ccn4)cc(C(C)(C)C)c3)c3ccccc32)cc(C(C)C)c1.[Pt]
• InChI: InChI=1S/C66H66FN4O.Pt/c1-41(2)44-30-45(42(3)4)32-46(31-44)57-36-49(66(11,12)13)35-56(43-22-24-50(67)25-23-43)63(57)70-40-69(59-20-16-17-21-60(59)70)51-33-48(65(8,9)10)34-53(38-51)72-52-26-27-55-54-18-14-15-19-58(54)71(61(55)39-52)62-37-47(28-29-68-62)64(5,6)7;/h14-37,40-42H,1-13H3;/q-3
• InChIKey: IIZLTRAMQWIAOM-UHFFFAOYSA-N
• XLogP: 18.59
• TPSA: 33.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1145.36
LogP ≤ 5	18.59
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 2-[3-tert-butyl-5-[3-[4-tert-butyl-2-[3,5-di(propan-2-yl)phenyl]-6-(4-fluorophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum?

The IUPAC name of 2-[3-tert-butyl-5-[3-[4-tert-butyl-2-[3,5-di(propan-2-yl)phenyl]-6-(4-fluorophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum (CID 172530655) is 2-[3-tert-butyl-5-[3-[4-tert-butyl-2-[3,5-di(propan-2-yl)phenyl]-6-(4-fluorophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum.

What is the SMILES notation for 2-[3-tert-butyl-5-[3-[4-tert-butyl-2-[3,5-di(propan-2-yl)phenyl]-6-(4-fluorophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum?

The canonical SMILES for 2-[3-tert-butyl-5-[3-[4-tert-butyl-2-[3,5-di(propan-2-yl)phenyl]-6-(4-fluorophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum is CC(C)c1cc(-c2cc(C(C)(C)C)cc(-c3ccc(F)cc3)c2N2[CH-]N(c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4cc(C(C)(C)C)ccn4)cc(C(C)(C)C)c3)c3ccccc32)cc(C(C)C)c1.[Pt].

What is the InChIKey of 2-[3-tert-butyl-5-[3-[4-tert-butyl-2-[3,5-di(propan-2-yl)phenyl]-6-(4-fluorophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum?

The InChIKey is IIZLTRAMQWIAOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H66FN4O.Pt/c1-41(2)44-30-45(42(3)4)32-46(31-44)57-36-49(66(11,12)13)35-56(43-22-24-50(67)25-23-43)63(57)70-40-69(59-20-16-17-21-60(59)70)51-33-48(65(8,9)10)34-53(38-51)72-52-26-27-55-54-18-14-15-19-58(54)71(61(55)39-52)62-37-47(28-29-68-62)64(5,6)7;/h14-37,40-42H,1-13H3;/q-3;.

What are the key properties of 2-[3-tert-butyl-5-[3-[4-tert-butyl-2-[3,5-di(propan-2-yl)phenyl]-6-(4-fluorophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum?

2-[3-tert-butyl-5-[3-[4-tert-butyl-2-[3,5-di(propan-2-yl)phenyl]-6-(4-fluorophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum has a molecular weight of 1145.36 g/mol, XLogP of 18.59, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-tert-butyl-5-[3-[4-tert-butyl-2-[3,5-di(propan-2-yl)phenyl]-6-(4-fluorophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 172530655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).