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

C76H66F5N4OPt-3 — CID 172531408

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

9-(4-tert-butyl-2-pyridinyl)-2-[3-(4-tert-butyl-2,3,5,6-tetradeuteriophenyl)-5-[3-[2-(3,5-ditert-butylphenyl)-6-(2,3,4,5,6-pentafluorophenyl)-4-phenylphenyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-1H-carbazol-1-ide;platinum (PubChem CID 172531408) has the molecular formula C76H66F5N4OPt-3 and a molecular weight of 1345.48 g/mol. Its IUPAC name is 9-(4-tert-butyl-2-pyridinyl)-2-[3-(4-tert-butyl-2,3,5,6-tetradeuteriophenyl)-5-[3-[2-(3,5-ditert-butylphenyl)-6-(2,3,4,5,6-pentafluorophenyl)-4-phenylphenyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 9-(4-tert-butyl-2-pyridinyl)-2-[3-(4-tert-butyl-2,3,5,6-tetradeuteriophenyl)-5-[3-[2-(3,5-ditert-butylphenyl)-6-(2,3,4,5,6-pentafluorophenyl)-4-phenylphenyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-1H-carbazol-1-ide;platinum
• PubChem CID: 172531408
• Molecular Formula: C76H66F5N4OPt-3
• Molecular Weight: 1345.48 g/mol
• Exact Mass: 1344.51
• IUPAC Name: 9-(4-tert-butyl-2-pyridinyl)-2-[3-(4-tert-butyl-2,3,5,6-tetradeuteriophenyl)-5-[3-[2-(3,5-ditert-butylphenyl)-6-(2,3,4,5,6-pentafluorophenyl)-4-phenylphenyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-1H-carbazol-1-ide;platinum
• SMILES: [2H]c1c([2H])c(C(C)(C)C)c([2H])c([2H])c1-c1cc(Oc2[c-]c3c(cc2)c2ccccc2n3-c2cc(C(C)(C)C)ccn2)[c-]c(N2[CH-]N(c3c(-c4cc(C(C)(C)C)cc(C(C)(C)C)c4)cc(-c4ccccc4)cc3-c3c(F)c(F)c(F)c(F)c3F)c3ccccc32)c1.[Pt]
• InChI: InChI=1S/C76H66F5N4O.Pt/c1-73(2,3)50-28-26-46(27-29-50)47-36-54(42-56(37-47)86-55-30-31-58-57-22-16-17-23-61(57)85(64(58)43-55)65-41-51(32-33-82-65)74(4,5)6)83-44-84(63-25-19-18-24-62(63)83)72-59(49-34-52(75(7,8)9)40-53(35-49)76(10,11)12)38-48(45-20-14-13-15-21-45)39-60(72)66-67(77)69(79)71(81)70(80)68(66)78;/h13-41,44H,1-12H3;/q-3;/i26D,27D,28D,29D
• InChIKey: LTHZKZITVYXKFH-KXNROINISA-N
• XLogP: 21.53
• TPSA: 33.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 87
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1345.48
LogP ≤ 5	21.53
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': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of 9-(4-tert-butyl-2-pyridinyl)-2-[3-(4-tert-butyl-2,3,5,6-tetradeuteriophenyl)-5-[3-[2-(3,5-ditert-butylphenyl)-6-(2,3,4,5,6-pentafluorophenyl)-4-phenylphenyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-1H-carbazol-1-ide;platinum (CID 172531408) is 9-(4-tert-butyl-2-pyridinyl)-2-[3-(4-tert-butyl-2,3,5,6-tetradeuteriophenyl)-5-[3-[2-(3,5-ditert-butylphenyl)-6-(2,3,4,5,6-pentafluorophenyl)-4-phenylphenyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-1H-carbazol-1-ide;platinum.

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

The canonical SMILES for 9-(4-tert-butyl-2-pyridinyl)-2-[3-(4-tert-butyl-2,3,5,6-tetradeuteriophenyl)-5-[3-[2-(3,5-ditert-butylphenyl)-6-(2,3,4,5,6-pentafluorophenyl)-4-phenylphenyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-1H-carbazol-1-ide;platinum is [2H]c1c([2H])c(C(C)(C)C)c([2H])c([2H])c1-c1cc(Oc2[c-]c3c(cc2)c2ccccc2n3-c2cc(C(C)(C)C)ccn2)[c-]c(N2[CH-]N(c3c(-c4cc(C(C)(C)C)cc(C(C)(C)C)c4)cc(-c4ccccc4)cc3-c3c(F)c(F)c(F)c(F)c3F)c3ccccc32)c1.[Pt].

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

The InChIKey is LTHZKZITVYXKFH-KXNROINISA-N. The full InChI is InChI=1S/C76H66F5N4O.Pt/c1-73(2,3)50-28-26-46(27-29-50)47-36-54(42-56(37-47)86-55-30-31-58-57-22-16-17-23-61(57)85(64(58)43-55)65-41-51(32-33-82-65)74(4,5)6)83-44-84(63-25-19-18-24-62(63)83)72-59(49-34-52(75(7,8)9)40-53(35-49)76(10,11)12)38-48(45-20-14-13-15-21-45)39-60(72)66-67(77)69(79)71(81)70(80)68(66)78;/h13-41,44H,1-12H3;/q-3;/i26D,27D,28D,29D;.

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

9-(4-tert-butyl-2-pyridinyl)-2-[3-(4-tert-butyl-2,3,5,6-tetradeuteriophenyl)-5-[3-[2-(3,5-ditert-butylphenyl)-6-(2,3,4,5,6-pentafluorophenyl)-4-phenylphenyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-1H-carbazol-1-ide;platinum has a molecular weight of 1345.48 g/mol, XLogP of 21.53, 9 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-tert-butyl-2,3,5,6-tetradeuteriophenyl)-5-[3-[2-(3,5-ditert-butylphenyl)-6-(2,3,4,5,6-pentafluorophenyl)-4-phenylphenyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 172531408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).