2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-imidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-(2-methyl-2-phenylpropyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum

C54H40N4OPt-2 — CID 171610744

About 2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-imidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-(2-methyl-2-phenylpropyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum

2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-imidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-(2-methyl-2-phenylpropyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum (PubChem CID 171610744) has the molecular formula C54H40N4OPt-2 and a molecular weight of 966.08 g/mol. Its IUPAC name is 2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-imidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-(2-methyl-2-phenylpropyl)-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-imidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-(2-methyl-2-phenylpropyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum
• PubChem CID: 171610744
• Molecular Formula: C54H40N4OPt-2
• Molecular Weight: 966.08 g/mol
• Exact Mass: 965.35
• IUPAC Name: 2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-imidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-(2-methyl-2-phenylpropyl)-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)c4ccccc4n5-c4cc(CC(C)(C)c5ccccc5)ccn4)ccc3)cc2)c([2H])c1[2H].[Pt]
• InChI: InChI=1S/C54H40N4O.Pt/c1-54(2,42-20-10-5-11-21-42)37-39-30-31-55-52(34-39)58-50-27-13-12-24-48(50)49-29-28-45(36-51(49)58)59-44-23-14-22-43(35-44)56-32-33-57(38-56)53-46(40-16-6-3-7-17-40)25-15-26-47(53)41-18-8-4-9-19-41;/h3-34H,37H2,1-2H3;/q-2;/i3D,4D,6D,7D,8D,9D,16D,17D,18D,19D
• InChIKey: DZSSVSQKNLYGHQ-BESFCNEZSA-N
• XLogP: 12.29
• TPSA: 35.86 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	966.08
LogP ≤ 5	12.29
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-imidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-(2-methyl-2-phenylpropyl)-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-imidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-(2-methyl-2-phenylpropyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum (CID 171610744) is 2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-imidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-(2-methyl-2-phenylpropyl)-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-imidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-(2-methyl-2-phenylpropyl)-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-imidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-(2-methyl-2-phenylpropyl)-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)c4ccccc4n5-c4cc(CC(C)(C)c5ccccc5)ccn4)ccc3)cc2)c([2H])c1[2H].[Pt].

What is the InChIKey of 2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-imidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-(2-methyl-2-phenylpropyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum?

The InChIKey is DZSSVSQKNLYGHQ-BESFCNEZSA-N. The full InChI is InChI=1S/C54H40N4O.Pt/c1-54(2,42-20-10-5-11-21-42)37-39-30-31-55-52(34-39)58-50-27-13-12-24-48(50)49-29-28-45(36-51(49)58)59-44-23-14-22-43(35-44)56-32-33-57(38-56)53-46(40-16-6-3-7-17-40)25-15-26-47(53)41-18-8-4-9-19-41;/h3-34H,37H2,1-2H3;/q-2;/i3D,4D,6D,7D,8D,9D,16D,17D,18D,19D;.

What are the key properties of 2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-imidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-(2-methyl-2-phenylpropyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum?

2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-imidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-(2-methyl-2-phenylpropyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum has a molecular weight of 966.08 g/mol, XLogP of 12.29, 10 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-imidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-(2-methyl-2-phenylpropyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 171610744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).