2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1H-carbazol-1-ide;platinum

C66H56N4OPt-2 — CID 165161470

About 2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1H-carbazol-1-ide;platinum

2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1H-carbazol-1-ide;platinum (PubChem CID 165161470) has the molecular formula C66H56N4OPt-2 and a molecular weight of 1126.34 g/mol. Its IUPAC name is 2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1H-carbazol-1-ide;platinum
• PubChem CID: 165161470
• Molecular Formula: C66H56N4OPt-2
• Molecular Weight: 1126.34 g/mol
• Exact Mass: 1125.47
• IUPAC Name: 2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1H-carbazol-1-ide;platinum
• SMILES: [2H]c1c([2H])c([2H])c(-c2cccc(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])c2-[n+]2[c-]n(-c3[c-]c(Oc4[c-]c5c(cc4)c4cc(-c6ccc7c(c6)C(C)(C)CCC7(C)C)ccc4n5-c4cc(C(C)(C)C)ccn4)ccc3)c3ccccc32)c([2H])c1[2H].[Pt]
• InChI: InChI=1S/C66H56N4O.Pt/c1-64(2,3)48-34-37-67-62(40-48)70-58-33-29-46(47-28-32-56-57(39-47)66(6,7)36-35-65(56,4)5)38-55(58)54-31-30-51(42-61(54)70)71-50-23-16-22-49(41-50)68-43-69(60-27-15-14-26-59(60)68)63-52(44-18-10-8-11-19-44)24-17-25-53(63)45-20-12-9-13-21-45;/h8-34,37-40H,35-36H2,1-7H3;/q-2;/i8D,9D,10D,11D,12D,13D,18D,19D,20D,21D
• InChIKey: FYJIRVUMUGUMGM-HCJYZRPRSA-N
• XLogP: 16.24
• TPSA: 35.86 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1126.34
LogP ≤ 5	16.24
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 2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1H-carbazol-1-ide;platinum?

The IUPAC name of 2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1H-carbazol-1-ide;platinum (CID 165161470) is 2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1H-carbazol-1-ide;platinum.

What is the SMILES notation for 2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1H-carbazol-1-ide;platinum?

The canonical SMILES for 2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1H-carbazol-1-ide;platinum is [2H]c1c([2H])c([2H])c(-c2cccc(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])c2-[n+]2[c-]n(-c3[c-]c(Oc4[c-]c5c(cc4)c4cc(-c6ccc7c(c6)C(C)(C)CCC7(C)C)ccc4n5-c4cc(C(C)(C)C)ccn4)ccc3)c3ccccc32)c([2H])c1[2H].[Pt].

What is the InChIKey of 2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1H-carbazol-1-ide;platinum?

The InChIKey is FYJIRVUMUGUMGM-HCJYZRPRSA-N. The full InChI is InChI=1S/C66H56N4O.Pt/c1-64(2,3)48-34-37-67-62(40-48)70-58-33-29-46(47-28-32-56-57(39-47)66(6,7)36-35-65(56,4)5)38-55(58)54-31-30-51(42-61(54)70)71-50-23-16-22-49(41-50)68-43-69(60-27-15-14-26-59(60)68)63-52(44-18-10-8-11-19-44)24-17-25-53(63)45-20-12-9-13-21-45;/h8-34,37-40H,35-36H2,1-7H3;/q-2;/i8D,9D,10D,11D,12D,13D,18D,19D,20D,21D;.

What are the key properties of 2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1H-carbazol-1-ide;platinum?

2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1H-carbazol-1-ide;platinum has a molecular weight of 1126.34 g/mol, XLogP of 16.24, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 165161470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).