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-9-[4-(1-tert-butylcyclohexyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum

C58H48N4OPt-2 — CID 167379304

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-9-[4-(1-tert-butylcyclohexyl)-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-9-[4-(1-tert-butylcyclohexyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum (PubChem CID 167379304) has the molecular formula C58H48N4OPt-2 and a molecular weight of 1022.19 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-9-[4-(1-tert-butylcyclohexyl)-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-9-[4-(1-tert-butylcyclohexyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum
• PubChem CID: 167379304
• Molecular Formula: C58H48N4OPt-2
• Molecular Weight: 1022.19 g/mol
• Exact Mass: 1021.41
• 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-9-[4-(1-tert-butylcyclohexyl)-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(C5(C(C)(C)C)CCCCC5)ccn4)ccc3)c3ccccc32)c([2H])c1[2H].[Pt]
• InChI: InChI=1S/C58H48N4O.Pt/c1-57(2,3)58(34-15-6-16-35-58)43-33-36-59-55(37-43)62-51-28-12-11-25-49(51)50-32-31-46(39-54(50)62)63-45-24-17-23-44(38-45)60-40-61(53-30-14-13-29-52(53)60)56-47(41-19-7-4-8-20-41)26-18-27-48(56)42-21-9-5-10-22-42;/h4-5,7-14,17-33,36-37H,6,15-16,34-35H2,1-3H3;/q-2;/i4D,5D,7D,8D,9D,10D,19D,20D,21D,22D
• InChIKey: XYXRARVISBDBCC-NEYYAJSPSA-N
• XLogP: 14.17
• TPSA: 35.86 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1022.19
LogP ≤ 5	14.17
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-9-[4-(1-tert-butylcyclohexyl)-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-9-[4-(1-tert-butylcyclohexyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum (CID 167379304) 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-9-[4-(1-tert-butylcyclohexyl)-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-9-[4-(1-tert-butylcyclohexyl)-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-9-[4-(1-tert-butylcyclohexyl)-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(C5(C(C)(C)C)CCCCC5)ccn4)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-9-[4-(1-tert-butylcyclohexyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum?

The InChIKey is XYXRARVISBDBCC-NEYYAJSPSA-N. The full InChI is InChI=1S/C58H48N4O.Pt/c1-57(2,3)58(34-15-6-16-35-58)43-33-36-59-55(37-43)62-51-28-12-11-25-49(51)50-32-31-46(39-54(50)62)63-45-24-17-23-44(38-45)60-40-61(53-30-14-13-29-52(53)60)56-47(41-19-7-4-8-20-41)26-18-27-48(56)42-21-9-5-10-22-42;/h4-5,7-14,17-33,36-37H,6,15-16,34-35H2,1-3H3;/q-2;/i4D,5D,7D,8D,9D,10D,19D,20D,21D,22D;.

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-9-[4-(1-tert-butylcyclohexyl)-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-9-[4-(1-tert-butylcyclohexyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum has a molecular weight of 1022.19 g/mol, XLogP of 14.17, 8 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-9-[4-(1-tert-butylcyclohexyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 167379304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).