3-[3-[3-[2,6-bis(3,5-ditert-butylphenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-5-(4-tert-butyl-6-deuterio-2-pyridinyl)-8,9,10,11-tetradeuterio-4H-[1]benzothiolo[3,2-c]carbazol-4-ide;platinum

C74H73N4OPtS-3 — CID 176642168

About 3-[3-[3-[2,6-bis(3,5-ditert-butylphenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-5-(4-tert-butyl-6-deuterio-2-pyridinyl)-8,9,10,11-tetradeuterio-4H-[1]benzothiolo[3,2-c]carbazol-4-ide;platinum

3-[3-[3-[2,6-bis(3,5-ditert-butylphenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-5-(4-tert-butyl-6-deuterio-2-pyridinyl)-8,9,10,11-tetradeuterio-4H-[1]benzothiolo[3,2-c]carbazol-4-ide;platinum (PubChem CID 176642168) has the molecular formula C74H73N4OPtS-3 and a molecular weight of 1266.60 g/mol. Its IUPAC name is 3-[3-[3-[2,6-bis(3,5-ditert-butylphenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-5-(4-tert-butyl-6-deuterio-2-pyridinyl)-8,9,10,11-tetradeuterio-4H-[1]benzothiolo[3,2-c]carbazol-4-ide;platinum.

Molecular Properties

• Compound Name: 3-[3-[3-[2,6-bis(3,5-ditert-butylphenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-5-(4-tert-butyl-6-deuterio-2-pyridinyl)-8,9,10,11-tetradeuterio-4H-[1]benzothiolo[3,2-c]carbazol-4-ide;platinum
• PubChem CID: 176642168
• Molecular Formula: C74H73N4OPtS-3
• Molecular Weight: 1266.60 g/mol
• Exact Mass: 1265.55
• IUPAC Name: 3-[3-[3-[2,6-bis(3,5-ditert-butylphenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-5-(4-tert-butyl-6-deuterio-2-pyridinyl)-8,9,10,11-tetradeuterio-4H-[1]benzothiolo[3,2-c]carbazol-4-ide;platinum
• SMILES: [2H]c1cc(C(C)(C)C)cc(-n2c3[c-]c(Oc4[c-]c(N5[CH-]N(c6c(-c7cc(C(C)(C)C)cc(C(C)(C)C)c7)cccc6-c6cc(C(C)(C)C)cc(C(C)(C)C)c6)c6ccccc65)ccc4)ccc3c3c4sc5c([2H])c([2H])c([2H])c([2H])c5c4ccc32)n1.[Pt]
• InChI: InChI=1S/C74H73N4OS.Pt/c1-70(2,3)48-34-35-75-66(42-48)78-63-33-32-59-58-24-16-19-29-65(58)80-69(59)67(63)60-31-30-55(44-64(60)78)79-54-23-20-22-53(43-54)76-45-77(62-28-18-17-27-61(62)76)68-56(46-36-49(71(4,5)6)40-50(37-46)72(7,8)9)25-21-26-57(68)47-38-51(73(10,11)12)41-52(39-47)74(13,14)15;/h16-42,45H,1-15H3;/q-3;/i16D,19D,24D,29D,35D
• InChIKey: MQBWGDILLRTXAM-ARUSDASKSA-N
• XLogP: 21.17
• TPSA: 33.53 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 81
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1266.60
LogP ≤ 5	21.17
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 3-[3-[3-[2,6-bis(3,5-ditert-butylphenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-5-(4-tert-butyl-6-deuterio-2-pyridinyl)-8,9,10,11-tetradeuterio-4H-[1]benzothiolo[3,2-c]carbazol-4-ide;platinum?

The IUPAC name of 3-[3-[3-[2,6-bis(3,5-ditert-butylphenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-5-(4-tert-butyl-6-deuterio-2-pyridinyl)-8,9,10,11-tetradeuterio-4H-[1]benzothiolo[3,2-c]carbazol-4-ide;platinum (CID 176642168) is 3-[3-[3-[2,6-bis(3,5-ditert-butylphenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-5-(4-tert-butyl-6-deuterio-2-pyridinyl)-8,9,10,11-tetradeuterio-4H-[1]benzothiolo[3,2-c]carbazol-4-ide;platinum.

What is the SMILES notation for 3-[3-[3-[2,6-bis(3,5-ditert-butylphenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-5-(4-tert-butyl-6-deuterio-2-pyridinyl)-8,9,10,11-tetradeuterio-4H-[1]benzothiolo[3,2-c]carbazol-4-ide;platinum?

The canonical SMILES for 3-[3-[3-[2,6-bis(3,5-ditert-butylphenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-5-(4-tert-butyl-6-deuterio-2-pyridinyl)-8,9,10,11-tetradeuterio-4H-[1]benzothiolo[3,2-c]carbazol-4-ide;platinum is [2H]c1cc(C(C)(C)C)cc(-n2c3[c-]c(Oc4[c-]c(N5[CH-]N(c6c(-c7cc(C(C)(C)C)cc(C(C)(C)C)c7)cccc6-c6cc(C(C)(C)C)cc(C(C)(C)C)c6)c6ccccc65)ccc4)ccc3c3c4sc5c([2H])c([2H])c([2H])c([2H])c5c4ccc32)n1.[Pt].

What is the InChIKey of 3-[3-[3-[2,6-bis(3,5-ditert-butylphenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-5-(4-tert-butyl-6-deuterio-2-pyridinyl)-8,9,10,11-tetradeuterio-4H-[1]benzothiolo[3,2-c]carbazol-4-ide;platinum?

The InChIKey is MQBWGDILLRTXAM-ARUSDASKSA-N. The full InChI is InChI=1S/C74H73N4OS.Pt/c1-70(2,3)48-34-35-75-66(42-48)78-63-33-32-59-58-24-16-19-29-65(58)80-69(59)67(63)60-31-30-55(44-64(60)78)79-54-23-20-22-53(43-54)76-45-77(62-28-18-17-27-61(62)76)68-56(46-36-49(71(4,5)6)40-50(37-46)72(7,8)9)25-21-26-57(68)47-38-51(73(10,11)12)41-52(39-47)74(13,14)15;/h16-42,45H,1-15H3;/q-3;/i16D,19D,24D,29D,35D;.

What are the key properties of 3-[3-[3-[2,6-bis(3,5-ditert-butylphenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-5-(4-tert-butyl-6-deuterio-2-pyridinyl)-8,9,10,11-tetradeuterio-4H-[1]benzothiolo[3,2-c]carbazol-4-ide;platinum?

3-[3-[3-[2,6-bis(3,5-ditert-butylphenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-5-(4-tert-butyl-6-deuterio-2-pyridinyl)-8,9,10,11-tetradeuterio-4H-[1]benzothiolo[3,2-c]carbazol-4-ide;platinum has a molecular weight of 1266.60 g/mol, XLogP of 21.17, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-[3-[2,6-bis(3,5-ditert-butylphenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-5-(4-tert-butyl-6-deuterio-2-pyridinyl)-8,9,10,11-tetradeuterio-4H-[1]benzothiolo[3,2-c]carbazol-4-ide;platinum is sourced from PubChem (CID 176642168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).