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-6-tert-butyl-9-[5-(4-tert-butylphenyl)-4-(2-deuterio-3,3-dimethylbutan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum

C68H62N4OPt-2 — CID 171610089

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-6-tert-butyl-9-[5-(4-tert-butylphenyl)-4-(2-deuterio-3,3-dimethylbutan-2-yl)-2-pyridinyl]-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-6-tert-butyl-9-[5-(4-tert-butylphenyl)-4-(2-deuterio-3,3-dimethylbutan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum (PubChem CID 171610089) has the molecular formula C68H62N4OPt-2 and a molecular weight of 1157.42 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-6-tert-butyl-9-[5-(4-tert-butylphenyl)-4-(2-deuterio-3,3-dimethylbutan-2-yl)-2-pyridinyl]-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-6-tert-butyl-9-[5-(4-tert-butylphenyl)-4-(2-deuterio-3,3-dimethylbutan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum
• PubChem CID: 171610089
• Molecular Formula: C68H62N4OPt-2
• Molecular Weight: 1157.42 g/mol
• Exact Mass: 1156.53
• 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-6-tert-butyl-9-[5-(4-tert-butylphenyl)-4-(2-deuterio-3,3-dimethylbutan-2-yl)-2-pyridinyl]-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(C(C)(C)C)ccc4n5-c4cc(C([2H])(C)C(C)(C)C)c(-c5ccc(C(C)(C)C)cc5)cn4)ccc3)c3ccccc32)c([2H])c1[2H].[Pt]
• InChI: InChI=1S/C68H62N4O.Pt/c1-45(66(2,3)4)57-42-64(69-43-59(57)48-31-33-49(34-32-48)67(5,6)7)72-60-38-35-50(68(8,9)10)39-58(60)56-37-36-53(41-63(56)72)73-52-26-19-25-51(40-52)70-44-71(62-30-18-17-29-61(62)70)65-54(46-21-13-11-14-22-46)27-20-28-55(65)47-23-15-12-16-24-47;/h11-39,42-43,45H,1-10H3;/q-2;/i11D,12D,13D,14D,15D,16D,21D,22D,23D,24D,45D
• InChIKey: RQXNIZOXZSDTRP-JSTVZGPESA-N
• XLogP: 17.34
• TPSA: 35.86 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1157.42
LogP ≤ 5	17.34
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-6-tert-butyl-9-[5-(4-tert-butylphenyl)-4-(2-deuterio-3,3-dimethylbutan-2-yl)-2-pyridinyl]-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-6-tert-butyl-9-[5-(4-tert-butylphenyl)-4-(2-deuterio-3,3-dimethylbutan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum (CID 171610089) 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-6-tert-butyl-9-[5-(4-tert-butylphenyl)-4-(2-deuterio-3,3-dimethylbutan-2-yl)-2-pyridinyl]-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-6-tert-butyl-9-[5-(4-tert-butylphenyl)-4-(2-deuterio-3,3-dimethylbutan-2-yl)-2-pyridinyl]-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-6-tert-butyl-9-[5-(4-tert-butylphenyl)-4-(2-deuterio-3,3-dimethylbutan-2-yl)-2-pyridinyl]-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(C(C)(C)C)ccc4n5-c4cc(C([2H])(C)C(C)(C)C)c(-c5ccc(C(C)(C)C)cc5)cn4)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-6-tert-butyl-9-[5-(4-tert-butylphenyl)-4-(2-deuterio-3,3-dimethylbutan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum?

The InChIKey is RQXNIZOXZSDTRP-JSTVZGPESA-N. The full InChI is InChI=1S/C68H62N4O.Pt/c1-45(66(2,3)4)57-42-64(69-43-59(57)48-31-33-49(34-32-48)67(5,6)7)72-60-38-35-50(68(8,9)10)39-58(60)56-37-36-53(41-63(56)72)73-52-26-19-25-51(40-52)70-44-71(62-30-18-17-29-61(62)70)65-54(46-21-13-11-14-22-46)27-20-28-55(65)47-23-15-12-16-24-47;/h11-39,42-43,45H,1-10H3;/q-2;/i11D,12D,13D,14D,15D,16D,21D,22D,23D,24D,45D;.

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-6-tert-butyl-9-[5-(4-tert-butylphenyl)-4-(2-deuterio-3,3-dimethylbutan-2-yl)-2-pyridinyl]-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-6-tert-butyl-9-[5-(4-tert-butylphenyl)-4-(2-deuterio-3,3-dimethylbutan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum has a molecular weight of 1157.42 g/mol, XLogP of 17.34, 9 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-6-tert-butyl-9-[5-(4-tert-butylphenyl)-4-(2-deuterio-3,3-dimethylbutan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 171610089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).