9-[5-(4-tert-butylphenyl)-4-(3,3-dimethylbutan-2-yl)-2-pyridinyl]-2-[3-[3-[2-(3,5-ditert-butylphenyl)-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum

C72H70N4OPt-2 — CID 171610153

About 9-[5-(4-tert-butylphenyl)-4-(3,3-dimethylbutan-2-yl)-2-pyridinyl]-2-[3-[3-[2-(3,5-ditert-butylphenyl)-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum

9-[5-(4-tert-butylphenyl)-4-(3,3-dimethylbutan-2-yl)-2-pyridinyl]-2-[3-[3-[2-(3,5-ditert-butylphenyl)-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum (PubChem CID 171610153) has the molecular formula C72H70N4OPt-2 and a molecular weight of 1207.49 g/mol. Its IUPAC name is 9-[5-(4-tert-butylphenyl)-4-(3,3-dimethylbutan-2-yl)-2-pyridinyl]-2-[3-[3-[2-(3,5-ditert-butylphenyl)-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 9-[5-(4-tert-butylphenyl)-4-(3,3-dimethylbutan-2-yl)-2-pyridinyl]-2-[3-[3-[2-(3,5-ditert-butylphenyl)-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum
• PubChem CID: 171610153
• Molecular Formula: C72H70N4OPt-2
• Molecular Weight: 1207.49 g/mol
• Exact Mass: 1206.55
• IUPAC Name: 9-[5-(4-tert-butylphenyl)-4-(3,3-dimethylbutan-2-yl)-2-pyridinyl]-2-[3-[3-[2-(3,5-ditert-butylphenyl)-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum
• SMILES: [2H]c1c([2H])c([2H])c(-c2cccc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)c2-[n+]2[c-]n(-c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4cc(C(C)C(C)(C)C)c(-c5ccc(C(C)(C)C)cc5)cn4)ccc3)c3ccccc32)c([2H])c1[2H].[Pt]
• InChI: InChI=1S/C72H70N4O.Pt/c1-47(69(2,3)4)61-44-67(73-45-62(61)49-33-35-51(36-34-49)70(5,6)7)76-63-30-18-17-27-59(63)60-38-37-56(43-66(60)76)77-55-26-21-25-54(42-55)74-46-75(65-32-20-19-31-64(65)74)68-57(48-23-15-14-16-24-48)28-22-29-58(68)50-39-52(71(8,9)10)41-53(40-50)72(11,12)13;/h14-41,44-45,47H,1-13H3;/q-2;/i14D,15D,16D,23D,24D
• InChIKey: YWEVGLMPRZSXTP-YUKLLWLXSA-N
• XLogP: 18.63
• TPSA: 35.86 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1207.49
LogP ≤ 5	18.63
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 9-[5-(4-tert-butylphenyl)-4-(3,3-dimethylbutan-2-yl)-2-pyridinyl]-2-[3-[3-[2-(3,5-ditert-butylphenyl)-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum?

The IUPAC name of 9-[5-(4-tert-butylphenyl)-4-(3,3-dimethylbutan-2-yl)-2-pyridinyl]-2-[3-[3-[2-(3,5-ditert-butylphenyl)-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum (CID 171610153) is 9-[5-(4-tert-butylphenyl)-4-(3,3-dimethylbutan-2-yl)-2-pyridinyl]-2-[3-[3-[2-(3,5-ditert-butylphenyl)-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum.

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

The canonical SMILES for 9-[5-(4-tert-butylphenyl)-4-(3,3-dimethylbutan-2-yl)-2-pyridinyl]-2-[3-[3-[2-(3,5-ditert-butylphenyl)-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum is [2H]c1c([2H])c([2H])c(-c2cccc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)c2-[n+]2[c-]n(-c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4cc(C(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 9-[5-(4-tert-butylphenyl)-4-(3,3-dimethylbutan-2-yl)-2-pyridinyl]-2-[3-[3-[2-(3,5-ditert-butylphenyl)-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum?

The InChIKey is YWEVGLMPRZSXTP-YUKLLWLXSA-N. The full InChI is InChI=1S/C72H70N4O.Pt/c1-47(69(2,3)4)61-44-67(73-45-62(61)49-33-35-51(36-34-49)70(5,6)7)76-63-30-18-17-27-59(63)60-38-37-56(43-66(60)76)77-55-26-21-25-54(42-55)74-46-75(65-32-20-19-31-64(65)74)68-57(48-23-15-14-16-24-48)28-22-29-58(68)50-39-52(71(8,9)10)41-53(40-50)72(11,12)13;/h14-41,44-45,47H,1-13H3;/q-2;/i14D,15D,16D,23D,24D;.

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

9-[5-(4-tert-butylphenyl)-4-(3,3-dimethylbutan-2-yl)-2-pyridinyl]-2-[3-[3-[2-(3,5-ditert-butylphenyl)-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum has a molecular weight of 1207.49 g/mol, XLogP of 18.63, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[5-(4-tert-butylphenyl)-4-(3,3-dimethylbutan-2-yl)-2-pyridinyl]-2-[3-[3-[2-(3,5-ditert-butylphenyl)-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 171610153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).