2-[3-[3-[2,6-bis[3-(2-methylpropyl)phenyl]phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-(2,2-dimethylpropyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum

C61H56N4OPt-2 — CID 171609038

About 2-[3-[3-[2,6-bis[3-(2-methylpropyl)phenyl]phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-(2,2-dimethylpropyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum

2-[3-[3-[2,6-bis[3-(2-methylpropyl)phenyl]phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-(2,2-dimethylpropyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum (PubChem CID 171609038) has the molecular formula C61H56N4OPt-2 and a molecular weight of 1056.22 g/mol. Its IUPAC name is 2-[3-[3-[2,6-bis[3-(2-methylpropyl)phenyl]phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-(2,2-dimethylpropyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 2-[3-[3-[2,6-bis[3-(2-methylpropyl)phenyl]phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-(2,2-dimethylpropyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum
• PubChem CID: 171609038
• Molecular Formula: C61H56N4OPt-2
• Molecular Weight: 1056.22 g/mol
• Exact Mass: 1055.41
• IUPAC Name: 2-[3-[3-[2,6-bis[3-(2-methylpropyl)phenyl]phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-(2,2-dimethylpropyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum
• SMILES: CC(C)Cc1cccc(-c2cccc(-c3cccc(CC(C)C)c3)c2-[n+]2[c-]n(-c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4cc(CC(C)(C)C)ccn4)ccc3)c3ccccc32)c1.[Pt]
• InChI: InChI=1S/C61H56N4O.Pt/c1-41(2)32-43-16-12-18-46(34-43)51-23-15-24-52(47-19-13-17-44(35-47)33-42(3)4)60(51)64-40-63(56-26-10-11-27-57(56)64)48-20-14-21-49(37-48)66-50-28-29-54-53-22-8-9-25-55(53)65(58(54)38-50)59-36-45(30-31-62-59)39-61(5,6)7;/h8-31,34-36,41-42H,32-33,39H2,1-7H3;/q-2
• InChIKey: VRPNXBNIYANEDT-UHFFFAOYSA-N
• XLogP: 14.91
• TPSA: 35.86 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 12
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1056.22
LogP ≤ 5	14.91
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[3-(2-methylpropyl)phenyl]phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-(2,2-dimethylpropyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum?

The IUPAC name of 2-[3-[3-[2,6-bis[3-(2-methylpropyl)phenyl]phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-(2,2-dimethylpropyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum (CID 171609038) is 2-[3-[3-[2,6-bis[3-(2-methylpropyl)phenyl]phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-(2,2-dimethylpropyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum.

What is the SMILES notation for 2-[3-[3-[2,6-bis[3-(2-methylpropyl)phenyl]phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-(2,2-dimethylpropyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum?

The canonical SMILES for 2-[3-[3-[2,6-bis[3-(2-methylpropyl)phenyl]phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-(2,2-dimethylpropyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum is CC(C)Cc1cccc(-c2cccc(-c3cccc(CC(C)C)c3)c2-[n+]2[c-]n(-c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4cc(CC(C)(C)C)ccn4)ccc3)c3ccccc32)c1.[Pt].

What is the InChIKey of 2-[3-[3-[2,6-bis[3-(2-methylpropyl)phenyl]phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-(2,2-dimethylpropyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum?

The InChIKey is VRPNXBNIYANEDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H56N4O.Pt/c1-41(2)32-43-16-12-18-46(34-43)51-23-15-24-52(47-19-13-17-44(35-47)33-42(3)4)60(51)64-40-63(56-26-10-11-27-57(56)64)48-20-14-21-49(37-48)66-50-28-29-54-53-22-8-9-25-55(53)65(58(54)38-50)59-36-45(30-31-62-59)39-61(5,6)7;/h8-31,34-36,41-42H,32-33,39H2,1-7H3;/q-2;.

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

2-[3-[3-[2,6-bis[3-(2-methylpropyl)phenyl]phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-(2,2-dimethylpropyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum has a molecular weight of 1056.22 g/mol, XLogP of 14.91, 12 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[3-(2-methylpropyl)phenyl]phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-(2,2-dimethylpropyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 171609038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).