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

C51H53N4OPt-3 — CID 176783990

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

9-(4-tert-butyl-2-pyridinyl)-2-[3-[4,6-ditert-butyl-3-(2,4,6-trimethylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum (PubChem CID 176783990) has the molecular formula C51H53N4OPt-3 and a molecular weight of 933.09 g/mol. Its IUPAC name is 9-(4-tert-butyl-2-pyridinyl)-2-[3-[4,6-ditert-butyl-3-(2,4,6-trimethylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 9-(4-tert-butyl-2-pyridinyl)-2-[3-[4,6-ditert-butyl-3-(2,4,6-trimethylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum
• PubChem CID: 176783990
• Molecular Formula: C51H53N4OPt-3
• Molecular Weight: 933.09 g/mol
• Exact Mass: 932.39
• IUPAC Name: 9-(4-tert-butyl-2-pyridinyl)-2-[3-[4,6-ditert-butyl-3-(2,4,6-trimethylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum
• SMILES: Cc1cc(C)c(N2[CH-]N(c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4cc(C(C)(C)C)ccn4)ccc3)c3cc(C(C)(C)C)cc(C(C)(C)C)c32)c(C)c1.[Pt]
• InChI: InChI=1S/C51H53N4O.Pt/c1-32-24-33(2)47(34(3)25-32)54-31-53(45-27-36(50(7,8)9)26-42(48(45)54)51(10,11)12)37-16-15-17-38(29-37)56-39-20-21-41-40-18-13-14-19-43(40)55(44(41)30-39)46-28-35(22-23-52-46)49(4,5)6;/h13-28,31H,1-12H3;/q-3
• InChIKey: HMYWCMYPWHNDIF-UHFFFAOYSA-N
• XLogP: 13.80
• TPSA: 33.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	933.09
LogP ≤ 5	13.80
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 9-(4-tert-butyl-2-pyridinyl)-2-[3-[4,6-ditert-butyl-3-(2,4,6-trimethylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum?

The IUPAC name of 9-(4-tert-butyl-2-pyridinyl)-2-[3-[4,6-ditert-butyl-3-(2,4,6-trimethylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum (CID 176783990) is 9-(4-tert-butyl-2-pyridinyl)-2-[3-[4,6-ditert-butyl-3-(2,4,6-trimethylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum.

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

The canonical SMILES for 9-(4-tert-butyl-2-pyridinyl)-2-[3-[4,6-ditert-butyl-3-(2,4,6-trimethylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum is Cc1cc(C)c(N2[CH-]N(c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4cc(C(C)(C)C)ccn4)ccc3)c3cc(C(C)(C)C)cc(C(C)(C)C)c32)c(C)c1.[Pt].

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

The InChIKey is HMYWCMYPWHNDIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H53N4O.Pt/c1-32-24-33(2)47(34(3)25-32)54-31-53(45-27-36(50(7,8)9)26-42(48(45)54)51(10,11)12)37-16-15-17-38(29-37)56-39-20-21-41-40-18-13-14-19-43(40)55(44(41)30-39)46-28-35(22-23-52-46)49(4,5)6;/h13-28,31H,1-12H3;/q-3;.

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

9-(4-tert-butyl-2-pyridinyl)-2-[3-[4,6-ditert-butyl-3-(2,4,6-trimethylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum has a molecular weight of 933.09 g/mol, XLogP of 13.80, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(4-tert-butyl-2-pyridinyl)-2-[3-[4,6-ditert-butyl-3-(2,4,6-trimethylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 176783990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).