9-(4-tert-butyl-2-pyridinyl)-2-[[4-(3-methyl-2H-benzimidazol-2-id-1-yl)-3H-pyridin-3-id-2-yl]oxy]-6-(9-phenylcarbazol-1-yl)-1H-carbazol-1-ide;platinum

C52H39N6OPt-3 — CID 168848555

About 9-(4-tert-butyl-2-pyridinyl)-2-[[4-(3-methyl-2H-benzimidazol-2-id-1-yl)-3H-pyridin-3-id-2-yl]oxy]-6-(9-phenylcarbazol-1-yl)-1H-carbazol-1-ide;platinum

9-(4-tert-butyl-2-pyridinyl)-2-[[4-(3-methyl-2H-benzimidazol-2-id-1-yl)-3H-pyridin-3-id-2-yl]oxy]-6-(9-phenylcarbazol-1-yl)-1H-carbazol-1-ide;platinum (PubChem CID 168848555) has the molecular formula C52H39N6OPt-3 and a molecular weight of 959.00 g/mol. Its IUPAC name is 9-(4-tert-butyl-2-pyridinyl)-2-[[4-(3-methyl-2H-benzimidazol-2-id-1-yl)-3H-pyridin-3-id-2-yl]oxy]-6-(9-phenylcarbazol-1-yl)-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 9-(4-tert-butyl-2-pyridinyl)-2-[[4-(3-methyl-2H-benzimidazol-2-id-1-yl)-3H-pyridin-3-id-2-yl]oxy]-6-(9-phenylcarbazol-1-yl)-1H-carbazol-1-ide;platinum
• PubChem CID: 168848555
• Molecular Formula: C52H39N6OPt-3
• Molecular Weight: 959.00 g/mol
• Exact Mass: 958.28
• IUPAC Name: 9-(4-tert-butyl-2-pyridinyl)-2-[[4-(3-methyl-2H-benzimidazol-2-id-1-yl)-3H-pyridin-3-id-2-yl]oxy]-6-(9-phenylcarbazol-1-yl)-1H-carbazol-1-ide;platinum
• SMILES: CN1[CH-]N(c2[c-]c(Oc3[c-]c4c(cc3)c3cc(-c5cccc6c7ccccc7n(-c7ccccc7)c56)ccc3n4-c3cc(C(C)(C)C)ccn3)ncc2)c2ccccc21.[Pt]
• InChI: InChI=1S/C52H39N6O.Pt/c1-52(2,3)35-25-27-53-49(30-35)58-45-24-21-34(39-16-12-17-42-40-15-8-9-18-44(40)57(51(39)42)36-13-6-5-7-14-36)29-43(45)41-23-22-38(32-48(41)58)59-50-31-37(26-28-54-50)56-33-55(4)46-19-10-11-20-47(46)56;/h5-30,33H,1-4H3;/q-3
• InChIKey: VHVKHLQOXIGHAD-UHFFFAOYSA-N
• XLogP: 12.73
• TPSA: 51.35 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	959.00
LogP ≤ 5	12.73
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 9-(4-tert-butyl-2-pyridinyl)-2-[[4-(3-methyl-2H-benzimidazol-2-id-1-yl)-3H-pyridin-3-id-2-yl]oxy]-6-(9-phenylcarbazol-1-yl)-1H-carbazol-1-ide;platinum?

The IUPAC name of 9-(4-tert-butyl-2-pyridinyl)-2-[[4-(3-methyl-2H-benzimidazol-2-id-1-yl)-3H-pyridin-3-id-2-yl]oxy]-6-(9-phenylcarbazol-1-yl)-1H-carbazol-1-ide;platinum (CID 168848555) is 9-(4-tert-butyl-2-pyridinyl)-2-[[4-(3-methyl-2H-benzimidazol-2-id-1-yl)-3H-pyridin-3-id-2-yl]oxy]-6-(9-phenylcarbazol-1-yl)-1H-carbazol-1-ide;platinum.

What is the SMILES notation for 9-(4-tert-butyl-2-pyridinyl)-2-[[4-(3-methyl-2H-benzimidazol-2-id-1-yl)-3H-pyridin-3-id-2-yl]oxy]-6-(9-phenylcarbazol-1-yl)-1H-carbazol-1-ide;platinum?

The canonical SMILES for 9-(4-tert-butyl-2-pyridinyl)-2-[[4-(3-methyl-2H-benzimidazol-2-id-1-yl)-3H-pyridin-3-id-2-yl]oxy]-6-(9-phenylcarbazol-1-yl)-1H-carbazol-1-ide;platinum is CN1[CH-]N(c2[c-]c(Oc3[c-]c4c(cc3)c3cc(-c5cccc6c7ccccc7n(-c7ccccc7)c56)ccc3n4-c3cc(C(C)(C)C)ccn3)ncc2)c2ccccc21.[Pt].

What is the InChIKey of 9-(4-tert-butyl-2-pyridinyl)-2-[[4-(3-methyl-2H-benzimidazol-2-id-1-yl)-3H-pyridin-3-id-2-yl]oxy]-6-(9-phenylcarbazol-1-yl)-1H-carbazol-1-ide;platinum?

The InChIKey is VHVKHLQOXIGHAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H39N6O.Pt/c1-52(2,3)35-25-27-53-49(30-35)58-45-24-21-34(39-16-12-17-42-40-15-8-9-18-44(40)57(51(39)42)36-13-6-5-7-14-36)29-43(45)41-23-22-38(32-48(41)58)59-50-31-37(26-28-54-50)56-33-55(4)46-19-10-11-20-47(46)56;/h5-30,33H,1-4H3;/q-3;.

What are the key properties of 9-(4-tert-butyl-2-pyridinyl)-2-[[4-(3-methyl-2H-benzimidazol-2-id-1-yl)-3H-pyridin-3-id-2-yl]oxy]-6-(9-phenylcarbazol-1-yl)-1H-carbazol-1-ide;platinum?

9-(4-tert-butyl-2-pyridinyl)-2-[[4-(3-methyl-2H-benzimidazol-2-id-1-yl)-3H-pyridin-3-id-2-yl]oxy]-6-(9-phenylcarbazol-1-yl)-1H-carbazol-1-ide;platinum has a molecular weight of 959.00 g/mol, XLogP of 12.73, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(4-tert-butyl-2-pyridinyl)-2-[[4-(3-methyl-2H-benzimidazol-2-id-1-yl)-3H-pyridin-3-id-2-yl]oxy]-6-(9-phenylcarbazol-1-yl)-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 168848555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).