N-(1-adamantyl)-N-(2-adamantyl)-2-[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-1H-carbazol-1-id-9-yl]pyridin-4-amine;platinum

C68H59N5OPt-2 — CID 166052813

About N-(1-adamantyl)-N-(2-adamantyl)-2-[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-1H-carbazol-1-id-9-yl]pyridin-4-amine;platinum

N-(1-adamantyl)-N-(2-adamantyl)-2-[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-1H-carbazol-1-id-9-yl]pyridin-4-amine;platinum (PubChem CID 166052813) has the molecular formula C68H59N5OPt-2 and a molecular weight of 1167.39 g/mol. Its IUPAC name is N-(1-adamantyl)-N-(2-adamantyl)-2-[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-1H-carbazol-1-id-9-yl]pyridin-4-amine;platinum.

Molecular Properties

• Compound Name: N-(1-adamantyl)-N-(2-adamantyl)-2-[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-1H-carbazol-1-id-9-yl]pyridin-4-amine;platinum
• PubChem CID: 166052813
• Molecular Formula: C68H59N5OPt-2
• Molecular Weight: 1167.39 g/mol
• Exact Mass: 1166.50
• IUPAC Name: N-(1-adamantyl)-N-(2-adamantyl)-2-[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-1H-carbazol-1-id-9-yl]pyridin-4-amine;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)c4ccccc4n5-c4cc(N(C5C6CC7CC(C6)CC5C7)C56CC7CC(CC(C7)C5)C6)ccn4)ccc3)c3ccccc32)c([2H])c1[2H].[Pt]
• InChI: InChI=1S/C68H59N5O.Pt/c1-3-13-49(14-4-1)57-20-12-21-58(50-15-5-2-6-16-50)67(57)71-43-70(62-23-9-10-24-63(62)71)53-17-11-18-55(37-53)74-56-25-26-60-59-19-7-8-22-61(59)72(64(60)39-56)65-38-54(27-28-69-65)73(66-51-33-44-29-45(35-51)36-52(66)34-44)68-40-46-30-47(41-68)32-48(31-46)42-68;/h1-28,38,44-48,51-52,66H,29-36,40-42H2;/q-2;/i1D,2D,3D,4D,5D,6D,13D,14D,15D,16D
• InChIKey: YWJABYIREIXSBW-KWCWRYDZSA-N
• XLogP: 15.52
• TPSA: 39.10 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1167.39
LogP ≤ 5	15.52
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': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-N-(2-adamantyl)-2-[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-1H-carbazol-1-id-9-yl]pyridin-4-amine;platinum?

The IUPAC name of N-(1-adamantyl)-N-(2-adamantyl)-2-[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-1H-carbazol-1-id-9-yl]pyridin-4-amine;platinum (CID 166052813) is N-(1-adamantyl)-N-(2-adamantyl)-2-[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-1H-carbazol-1-id-9-yl]pyridin-4-amine;platinum.

What is the SMILES notation for N-(1-adamantyl)-N-(2-adamantyl)-2-[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-1H-carbazol-1-id-9-yl]pyridin-4-amine;platinum?

The canonical SMILES for N-(1-adamantyl)-N-(2-adamantyl)-2-[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-1H-carbazol-1-id-9-yl]pyridin-4-amine;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)c4ccccc4n5-c4cc(N(C5C6CC7CC(C6)CC5C7)C56CC7CC(CC(C7)C5)C6)ccn4)ccc3)c3ccccc32)c([2H])c1[2H].[Pt].

What is the InChIKey of N-(1-adamantyl)-N-(2-adamantyl)-2-[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-1H-carbazol-1-id-9-yl]pyridin-4-amine;platinum?

The InChIKey is YWJABYIREIXSBW-KWCWRYDZSA-N. The full InChI is InChI=1S/C68H59N5O.Pt/c1-3-13-49(14-4-1)57-20-12-21-58(50-15-5-2-6-16-50)67(57)71-43-70(62-23-9-10-24-63(62)71)53-17-11-18-55(37-53)74-56-25-26-60-59-19-7-8-22-61(59)72(64(60)39-56)65-38-54(27-28-69-65)73(66-51-33-44-29-45(35-51)36-52(66)34-44)68-40-46-30-47(41-68)32-48(31-46)42-68;/h1-28,38,44-48,51-52,66H,29-36,40-42H2;/q-2;/i1D,2D,3D,4D,5D,6D,13D,14D,15D,16D;.

What are the key properties of N-(1-adamantyl)-N-(2-adamantyl)-2-[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-1H-carbazol-1-id-9-yl]pyridin-4-amine;platinum?

N-(1-adamantyl)-N-(2-adamantyl)-2-[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-1H-carbazol-1-id-9-yl]pyridin-4-amine;platinum has a molecular weight of 1167.39 g/mol, XLogP of 15.52, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1-adamantyl)-N-(2-adamantyl)-2-[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-1H-carbazol-1-id-9-yl]pyridin-4-amine;platinum is sourced from PubChem (CID 166052813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).