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

C55H58N4OPt-2 — CID 168783956

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

5-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[3-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-2H-imidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum (PubChem CID 168783956) has the molecular formula C55H58N4OPt-2 and a molecular weight of 986.17 g/mol. Its IUPAC name is 5-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[3-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-2H-imidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 5-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[3-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-2H-imidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum
• PubChem CID: 168783956
• Molecular Formula: C55H58N4OPt-2
• Molecular Weight: 986.17 g/mol
• Exact Mass: 985.43
• IUPAC Name: 5-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[3-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-2H-imidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum
• SMILES: CC(C)c1cc(C(C)C)c(-c2cccc(-[n+]3[c-]n(-c4[c-]c(Oc5[c-]c6c(cc5)c5c(C(C)(C)C)cccc5n6-c5cc(C(C)(C)C)ccn5)ccc4)cc3)c2)c(C(C)C)c1.[Pt]
• InChI: InChI=1S/C55H58N4O.Pt/c1-35(2)39-29-46(36(3)4)52(47(30-39)37(5)6)38-16-13-17-41(28-38)57-26-27-58(34-57)42-18-14-19-43(32-42)60-44-22-23-45-50(33-44)59(51-31-40(24-25-56-51)54(7,8)9)49-21-15-20-48(53(45)49)55(10,11)12;/h13-31,35-37H,1-12H3;/q-2
• InChIKey: VMRLGWQEEJOYDW-UHFFFAOYSA-N
• XLogP: 14.07
• TPSA: 35.86 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	986.17
LogP ≤ 5	14.07
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 5-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[3-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-2H-imidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum?

The IUPAC name of 5-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[3-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-2H-imidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum (CID 168783956) is 5-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[3-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-2H-imidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum.

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

The canonical SMILES for 5-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[3-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-2H-imidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum is CC(C)c1cc(C(C)C)c(-c2cccc(-[n+]3[c-]n(-c4[c-]c(Oc5[c-]c6c(cc5)c5c(C(C)(C)C)cccc5n6-c5cc(C(C)(C)C)ccn5)ccc4)cc3)c2)c(C(C)C)c1.[Pt].

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

The InChIKey is VMRLGWQEEJOYDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H58N4O.Pt/c1-35(2)39-29-46(36(3)4)52(47(30-39)37(5)6)38-16-13-17-41(28-38)57-26-27-58(34-57)42-18-14-19-43(32-42)60-44-22-23-45-50(33-44)59(51-31-40(24-25-56-51)54(7,8)9)49-21-15-20-48(53(45)49)55(10,11)12;/h13-31,35-37H,1-12H3;/q-2;.

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

5-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[3-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-2H-imidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum has a molecular weight of 986.17 g/mol, XLogP of 14.07, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[3-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-2H-imidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 168783956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).