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

C78H65FN5OPt-3 — CID 172530973

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

9-(4-tert-butyl-2-pyridinyl)-2-[3-carbazol-9-yl-5-[3-[2-(3,5-ditert-butylphenyl)-6-(4-fluorophenyl)-4-phenylphenyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-1H-carbazol-1-ide;platinum (PubChem CID 172530973) has the molecular formula C78H65FN5OPt-3 and a molecular weight of 1302.49 g/mol. Its IUPAC name is 9-(4-tert-butyl-2-pyridinyl)-2-[3-carbazol-9-yl-5-[3-[2-(3,5-ditert-butylphenyl)-6-(4-fluorophenyl)-4-phenylphenyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 9-(4-tert-butyl-2-pyridinyl)-2-[3-carbazol-9-yl-5-[3-[2-(3,5-ditert-butylphenyl)-6-(4-fluorophenyl)-4-phenylphenyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-1H-carbazol-1-ide;platinum
• PubChem CID: 172530973
• Molecular Formula: C78H65FN5OPt-3
• Molecular Weight: 1302.49 g/mol
• Exact Mass: 1301.48
• IUPAC Name: 9-(4-tert-butyl-2-pyridinyl)-2-[3-carbazol-9-yl-5-[3-[2-(3,5-ditert-butylphenyl)-6-(4-fluorophenyl)-4-phenylphenyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-1H-carbazol-1-ide;platinum
• SMILES: CC(C)(C)c1cc(-c2cc(-c3ccccc3)cc(-c3ccc(F)cc3)c2N2[CH-]N(c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4cc(C(C)(C)C)ccn4)cc(-n4c5ccccc5c5ccccc54)c3)c3ccccc32)cc(C(C)(C)C)c1.[Pt]
• InChI: InChI=1S/C78H65FN5O.Pt/c1-76(2,3)54-37-38-80-74(44-54)84-70-28-18-15-25-64(70)65-36-35-60(48-73(65)84)85-61-46-58(45-59(47-61)83-68-26-16-13-23-62(68)63-24-14-17-27-69(63)83)81-49-82(72-30-20-19-29-71(72)81)75-66(51-31-33-57(79)34-32-51)41-52(50-21-11-10-12-22-50)42-67(75)53-39-55(77(4,5)6)43-56(40-53)78(7,8)9;/h10-45,47,49H,1-9H3;/q-3
• InChIKey: BCIIGMKHCNZTRZ-UHFFFAOYSA-N
• XLogP: 21.11
• TPSA: 38.46 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 86
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1302.49
LogP ≤ 5	21.11
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-[3-carbazol-9-yl-5-[3-[2-(3,5-ditert-butylphenyl)-6-(4-fluorophenyl)-4-phenylphenyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-1H-carbazol-1-ide;platinum?

The IUPAC name of 9-(4-tert-butyl-2-pyridinyl)-2-[3-carbazol-9-yl-5-[3-[2-(3,5-ditert-butylphenyl)-6-(4-fluorophenyl)-4-phenylphenyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-1H-carbazol-1-ide;platinum (CID 172530973) is 9-(4-tert-butyl-2-pyridinyl)-2-[3-carbazol-9-yl-5-[3-[2-(3,5-ditert-butylphenyl)-6-(4-fluorophenyl)-4-phenylphenyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-1H-carbazol-1-ide;platinum.

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

The canonical SMILES for 9-(4-tert-butyl-2-pyridinyl)-2-[3-carbazol-9-yl-5-[3-[2-(3,5-ditert-butylphenyl)-6-(4-fluorophenyl)-4-phenylphenyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-1H-carbazol-1-ide;platinum is CC(C)(C)c1cc(-c2cc(-c3ccccc3)cc(-c3ccc(F)cc3)c2N2[CH-]N(c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4cc(C(C)(C)C)ccn4)cc(-n4c5ccccc5c5ccccc54)c3)c3ccccc32)cc(C(C)(C)C)c1.[Pt].

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

The InChIKey is BCIIGMKHCNZTRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H65FN5O.Pt/c1-76(2,3)54-37-38-80-74(44-54)84-70-28-18-15-25-64(70)65-36-35-60(48-73(65)84)85-61-46-58(45-59(47-61)83-68-26-16-13-23-62(68)63-24-14-17-27-69(63)83)81-49-82(72-30-20-19-29-71(72)81)75-66(51-31-33-57(79)34-32-51)41-52(50-21-11-10-12-22-50)42-67(75)53-39-55(77(4,5)6)43-56(40-53)78(7,8)9;/h10-45,47,49H,1-9H3;/q-3;.

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

9-(4-tert-butyl-2-pyridinyl)-2-[3-carbazol-9-yl-5-[3-[2-(3,5-ditert-butylphenyl)-6-(4-fluorophenyl)-4-phenylphenyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-1H-carbazol-1-ide;platinum has a molecular weight of 1302.49 g/mol, XLogP of 21.11, 9 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-[3-carbazol-9-yl-5-[3-[2-(3,5-ditert-butylphenyl)-6-(4-fluorophenyl)-4-phenylphenyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 172530973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).