9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[3,5-di(propan-2-yl)-2-pyridinyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum

C45H42N5OPt-3 — CID 176783247

About 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[3,5-di(propan-2-yl)-2-pyridinyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum

9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[3,5-di(propan-2-yl)-2-pyridinyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum (PubChem CID 176783247) has the molecular formula C45H42N5OPt-3 and a molecular weight of 863.94 g/mol. Its IUPAC name is 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[3,5-di(propan-2-yl)-2-pyridinyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[3,5-di(propan-2-yl)-2-pyridinyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum
• PubChem CID: 176783247
• Molecular Formula: C45H42N5OPt-3
• Molecular Weight: 863.94 g/mol
• Exact Mass: 863.31
• IUPAC Name: 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[3,5-di(propan-2-yl)-2-pyridinyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum
• SMILES: CC(C)c1cnc(N2[CH-]N(c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4cc(C(C)(C)C)ccn4)ccc3)c3ccccc32)c(C(C)C)c1.[Pt]
• InChI: InChI=1S/C45H42N5O.Pt/c1-29(2)31-23-38(30(3)4)44(47-27-31)49-28-48(40-17-10-11-18-41(40)49)33-13-12-14-34(25-33)51-35-19-20-37-36-15-8-9-16-39(36)50(42(37)26-35)43-24-32(21-22-46-43)45(5,6)7;/h8-24,27-30H,1-7H3;/q-3
• InChIKey: JJJGOCAQVSPQIQ-UHFFFAOYSA-N
• XLogP: 11.92
• TPSA: 46.42 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	863.94
LogP ≤ 5	11.92
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

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-[3-[3-[3,5-di(propan-2-yl)-2-pyridinyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum?

The IUPAC name of 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[3,5-di(propan-2-yl)-2-pyridinyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum (CID 176783247) is 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[3,5-di(propan-2-yl)-2-pyridinyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum.

What is the SMILES notation for 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[3,5-di(propan-2-yl)-2-pyridinyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum?

The canonical SMILES for 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[3,5-di(propan-2-yl)-2-pyridinyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum is CC(C)c1cnc(N2[CH-]N(c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4cc(C(C)(C)C)ccn4)ccc3)c3ccccc32)c(C(C)C)c1.[Pt].

What is the InChIKey of 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[3,5-di(propan-2-yl)-2-pyridinyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum?

The InChIKey is JJJGOCAQVSPQIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H42N5O.Pt/c1-29(2)31-23-38(30(3)4)44(47-27-31)49-28-48(40-17-10-11-18-41(40)49)33-13-12-14-34(25-33)51-35-19-20-37-36-15-8-9-16-39(36)50(42(37)26-35)43-24-32(21-22-46-43)45(5,6)7;/h8-24,27-30H,1-7H3;/q-3;.

What are the key properties of 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[3,5-di(propan-2-yl)-2-pyridinyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum?

9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[3,5-di(propan-2-yl)-2-pyridinyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum has a molecular weight of 863.94 g/mol, XLogP of 11.92, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[3,5-di(propan-2-yl)-2-pyridinyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 176783247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).