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]-6-phenyl-1H-carbazol-1-ide;platinum

C60H44N4OPt-2 — CID 171610774

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]-6-phenyl-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]-6-phenyl-1H-carbazol-1-ide;platinum (PubChem CID 171610774) has the molecular formula C60H44N4OPt-2 and a molecular weight of 1042.18 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]-6-phenyl-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]-6-phenyl-1H-carbazol-1-ide;platinum
• PubChem CID: 171610774
• Molecular Formula: C60H44N4OPt-2
• Molecular Weight: 1042.18 g/mol
• Exact Mass: 1041.38
• 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]-6-phenyl-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(-c6ccccc6)ccc4n5-c4cc(CC(C)(C)c5ccccc5)ccn4)ccc3)cc2)c([2H])c1[2H].[Pt]
• InChI: InChI=1S/C60H44N4O.Pt/c1-60(2,48-23-13-6-14-24-48)41-43-33-34-61-58(37-43)64-56-32-29-47(44-17-7-3-8-18-44)38-55(56)54-31-30-51(40-57(54)64)65-50-26-15-25-49(39-50)62-35-36-63(42-62)59-52(45-19-9-4-10-20-45)27-16-28-53(59)46-21-11-5-12-22-46;/h3-38H,41H2,1-2H3;/q-2;/i4D,5D,9D,10D,11D,12D,19D,20D,21D,22D
• InChIKey: FNCLLHBYBAAXCD-BKVLQUSKSA-N
• XLogP: 13.96
• TPSA: 35.86 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 11
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1042.18
LogP ≤ 5	13.96
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]-6-phenyl-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]-6-phenyl-1H-carbazol-1-ide;platinum (CID 171610774) 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]-6-phenyl-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]-6-phenyl-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]-6-phenyl-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(-c6ccccc6)ccc4n5-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]-6-phenyl-1H-carbazol-1-ide;platinum?

The InChIKey is FNCLLHBYBAAXCD-BKVLQUSKSA-N. The full InChI is InChI=1S/C60H44N4O.Pt/c1-60(2,48-23-13-6-14-24-48)41-43-33-34-61-58(37-43)64-56-32-29-47(44-17-7-3-8-18-44)38-55(56)54-31-30-51(40-57(54)64)65-50-26-15-25-49(39-50)62-35-36-63(42-62)59-52(45-19-9-4-10-20-45)27-16-28-53(59)46-21-11-5-12-22-46;/h3-38H,41H2,1-2H3;/q-2;/i4D,5D,9D,10D,11D,12D,19D,20D,21D,22D;.

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]-6-phenyl-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]-6-phenyl-1H-carbazol-1-ide;platinum has a molecular weight of 1042.18 g/mol, XLogP of 13.96, 11 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]-6-phenyl-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 171610774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).