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

C55H53N5OPt-2 — CID 171765381

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

2-[[2-[3-[3,5-bis(3-deuteriopentan-3-yl)phenyl]-6-phenyl-2H-benzimidazol-3-ium-2-id-1-yl]-3H-pyridin-3-id-4-yl]oxy]-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum (PubChem CID 171765381) has the molecular formula C55H53N5OPt-2 and a molecular weight of 997.15 g/mol. Its IUPAC name is 2-[[2-[3-[3,5-bis(3-deuteriopentan-3-yl)phenyl]-6-phenyl-2H-benzimidazol-3-ium-2-id-1-yl]-3H-pyridin-3-id-4-yl]oxy]-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 2-[[2-[3-[3,5-bis(3-deuteriopentan-3-yl)phenyl]-6-phenyl-2H-benzimidazol-3-ium-2-id-1-yl]-3H-pyridin-3-id-4-yl]oxy]-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum
• PubChem CID: 171765381
• Molecular Formula: C55H53N5OPt-2
• Molecular Weight: 997.15 g/mol
• Exact Mass: 996.40
• IUPAC Name: 2-[[2-[3-[3,5-bis(3-deuteriopentan-3-yl)phenyl]-6-phenyl-2H-benzimidazol-3-ium-2-id-1-yl]-3H-pyridin-3-id-4-yl]oxy]-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum
• SMILES: [2H]C(CC)(CC)c1cc(-[n+]2[c-]n(-c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4cc(C(C)(C)C)ccn4)ccn3)c3cc(-c4ccccc4)ccc32)cc(C([2H])(CC)CC)c1.[Pt]
• InChI: InChI=1S/C55H53N5O.Pt/c1-8-37(9-2)41-29-42(38(10-3)11-4)31-44(30-41)58-36-59(52-32-40(21-24-50(52)58)39-17-13-12-14-18-39)53-35-46(26-28-56-53)61-45-22-23-48-47-19-15-16-20-49(47)60(51(48)34-45)54-33-43(25-27-57-54)55(5,6)7;/h12-33,37-38H,8-11H2,1-7H3;/q-2;/i37D,38D
• InChIKey: AONQZRFLGNKZKY-JCTPENRVSA-N
• XLogP: 13.76
• TPSA: 48.75 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 12
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	997.15
LogP ≤ 5	13.76
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

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

The IUPAC name of 2-[[2-[3-[3,5-bis(3-deuteriopentan-3-yl)phenyl]-6-phenyl-2H-benzimidazol-3-ium-2-id-1-yl]-3H-pyridin-3-id-4-yl]oxy]-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum (CID 171765381) is 2-[[2-[3-[3,5-bis(3-deuteriopentan-3-yl)phenyl]-6-phenyl-2H-benzimidazol-3-ium-2-id-1-yl]-3H-pyridin-3-id-4-yl]oxy]-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum.

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

The canonical SMILES for 2-[[2-[3-[3,5-bis(3-deuteriopentan-3-yl)phenyl]-6-phenyl-2H-benzimidazol-3-ium-2-id-1-yl]-3H-pyridin-3-id-4-yl]oxy]-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum is [2H]C(CC)(CC)c1cc(-[n+]2[c-]n(-c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4cc(C(C)(C)C)ccn4)ccn3)c3cc(-c4ccccc4)ccc32)cc(C([2H])(CC)CC)c1.[Pt].

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

The InChIKey is AONQZRFLGNKZKY-JCTPENRVSA-N. The full InChI is InChI=1S/C55H53N5O.Pt/c1-8-37(9-2)41-29-42(38(10-3)11-4)31-44(30-41)58-36-59(52-32-40(21-24-50(52)58)39-17-13-12-14-18-39)53-35-46(26-28-56-53)61-45-22-23-48-47-19-15-16-20-49(47)60(51(48)34-45)54-33-43(25-27-57-54)55(5,6)7;/h12-33,37-38H,8-11H2,1-7H3;/q-2;/i37D,38D;.

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

2-[[2-[3-[3,5-bis(3-deuteriopentan-3-yl)phenyl]-6-phenyl-2H-benzimidazol-3-ium-2-id-1-yl]-3H-pyridin-3-id-4-yl]oxy]-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum has a molecular weight of 997.15 g/mol, XLogP of 13.76, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[2-[3-[3,5-bis(3-deuteriopentan-3-yl)phenyl]-6-phenyl-2H-benzimidazol-3-ium-2-id-1-yl]-3H-pyridin-3-id-4-yl]oxy]-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 171765381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).