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

C78H82N4OPt-2 — CID 171426947

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

2-[3-[3-[2,6-bis(3,5-ditert-butylphenyl)phenyl]-6-(4-tert-butylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum (PubChem CID 171426947) has the molecular formula C78H82N4OPt-2 and a molecular weight of 1286.62 g/mol. Its IUPAC name is 2-[3-[3-[2,6-bis(3,5-ditert-butylphenyl)phenyl]-6-(4-tert-butylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 2-[3-[3-[2,6-bis(3,5-ditert-butylphenyl)phenyl]-6-(4-tert-butylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum
• PubChem CID: 171426947
• Molecular Formula: C78H82N4OPt-2
• Molecular Weight: 1286.62 g/mol
• Exact Mass: 1285.61
• IUPAC Name: 2-[3-[3-[2,6-bis(3,5-ditert-butylphenyl)phenyl]-6-(4-tert-butylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum
• SMILES: CC(C)(C)c1ccc(-c2ccc3c(c2)n(-c2[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4cc(C(C)(C)C)ccn4)ccc2)[c-][n+]3-c2c(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)cccc2-c2cc(C(C)(C)C)cc(C(C)(C)C)c2)cc1.[Pt]
• InChI: InChI=1S/C78H82N4O.Pt/c1-73(2,3)54-32-29-50(30-33-54)51-31-36-68-70(43-51)80(60-23-21-24-61(47-60)83-62-34-35-66-65-25-19-20-28-67(65)82(69(66)48-62)71-46-55(37-38-79-71)74(4,5)6)49-81(68)72-63(52-39-56(75(7,8)9)44-57(40-52)76(10,11)12)26-22-27-64(72)53-41-58(77(13,14)15)45-59(42-53)78(16,17)18;/h19-46H,1-18H3;/q-2
• InChIKey: VQUXYXMZENLCLP-UHFFFAOYSA-N
• XLogP: 20.38
• TPSA: 35.86 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1286.62
LogP ≤ 5	20.38
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of 2-[3-[3-[2,6-bis(3,5-ditert-butylphenyl)phenyl]-6-(4-tert-butylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum (CID 171426947) is 2-[3-[3-[2,6-bis(3,5-ditert-butylphenyl)phenyl]-6-(4-tert-butylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum.

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

The canonical SMILES for 2-[3-[3-[2,6-bis(3,5-ditert-butylphenyl)phenyl]-6-(4-tert-butylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum is CC(C)(C)c1ccc(-c2ccc3c(c2)n(-c2[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4cc(C(C)(C)C)ccn4)ccc2)[c-][n+]3-c2c(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)cccc2-c2cc(C(C)(C)C)cc(C(C)(C)C)c2)cc1.[Pt].

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

The InChIKey is VQUXYXMZENLCLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H82N4O.Pt/c1-73(2,3)54-32-29-50(30-33-54)51-31-36-68-70(43-51)80(60-23-21-24-61(47-60)83-62-34-35-66-65-25-19-20-28-67(65)82(69(66)48-62)71-46-55(37-38-79-71)74(4,5)6)49-81(68)72-63(52-39-56(75(7,8)9)44-57(40-52)76(10,11)12)26-22-27-64(72)53-41-58(77(13,14)15)45-59(42-53)78(16,17)18;/h19-46H,1-18H3;/q-2;.

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

2-[3-[3-[2,6-bis(3,5-ditert-butylphenyl)phenyl]-6-(4-tert-butylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum has a molecular weight of 1286.62 g/mol, XLogP of 20.38, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[3-[2,6-bis(3,5-ditert-butylphenyl)phenyl]-6-(4-tert-butylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 171426947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).