8-tert-butyl-9-[5-[2,6-di(carbazol-9-yl)phenyl]-4-methyl-2-pyridinyl]-2-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum

C66H49N6OPt-3 — CID 169289084

About 8-tert-butyl-9-[5-[2,6-di(carbazol-9-yl)phenyl]-4-methyl-2-pyridinyl]-2-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum

8-tert-butyl-9-[5-[2,6-di(carbazol-9-yl)phenyl]-4-methyl-2-pyridinyl]-2-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum (PubChem CID 169289084) has the molecular formula C66H49N6OPt-3 and a molecular weight of 1137.24 g/mol. Its IUPAC name is 8-tert-butyl-9-[5-[2,6-di(carbazol-9-yl)phenyl]-4-methyl-2-pyridinyl]-2-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 8-tert-butyl-9-[5-[2,6-di(carbazol-9-yl)phenyl]-4-methyl-2-pyridinyl]-2-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum
• PubChem CID: 169289084
• Molecular Formula: C66H49N6OPt-3
• Molecular Weight: 1137.24 g/mol
• Exact Mass: 1136.36
• IUPAC Name: 8-tert-butyl-9-[5-[2,6-di(carbazol-9-yl)phenyl]-4-methyl-2-pyridinyl]-2-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum
• SMILES: Cc1cc(-n2c3[c-]c(Oc4[c-]c(N5[CH-]N(C)c6ccccc65)ccc4)ccc3c3cccc(C(C)(C)C)c32)ncc1-c1c(-n2c3ccccc3c3ccccc32)cccc1-n1c2ccccc2c2ccccc21.[Pt]
• InChI: InChI=1S/C66H49N6O.Pt/c1-42-37-63(72-62-39-45(35-36-50(62)51-25-17-26-53(65(51)72)66(2,3)4)73-44-20-16-19-43(38-44)69-41-68(5)58-31-14-15-32-59(58)69)67-40-52(42)64-60(70-54-27-10-6-21-46(54)47-22-7-11-28-55(47)70)33-18-34-61(64)71-56-29-12-8-23-48(56)49-24-9-13-30-57(49)71;/h6-37,40-41H,1-5H3;/q-3
• InChIKey: ZQDOIYPOMZLQSQ-UHFFFAOYSA-N
• XLogP: 16.74
• TPSA: 43.39 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1137.24
LogP ≤ 5	16.74
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 8-tert-butyl-9-[5-[2,6-di(carbazol-9-yl)phenyl]-4-methyl-2-pyridinyl]-2-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum?

The IUPAC name of 8-tert-butyl-9-[5-[2,6-di(carbazol-9-yl)phenyl]-4-methyl-2-pyridinyl]-2-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum (CID 169289084) is 8-tert-butyl-9-[5-[2,6-di(carbazol-9-yl)phenyl]-4-methyl-2-pyridinyl]-2-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum.

What is the SMILES notation for 8-tert-butyl-9-[5-[2,6-di(carbazol-9-yl)phenyl]-4-methyl-2-pyridinyl]-2-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum?

The canonical SMILES for 8-tert-butyl-9-[5-[2,6-di(carbazol-9-yl)phenyl]-4-methyl-2-pyridinyl]-2-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum is Cc1cc(-n2c3[c-]c(Oc4[c-]c(N5[CH-]N(C)c6ccccc65)ccc4)ccc3c3cccc(C(C)(C)C)c32)ncc1-c1c(-n2c3ccccc3c3ccccc32)cccc1-n1c2ccccc2c2ccccc21.[Pt].

What is the InChIKey of 8-tert-butyl-9-[5-[2,6-di(carbazol-9-yl)phenyl]-4-methyl-2-pyridinyl]-2-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum?

The InChIKey is ZQDOIYPOMZLQSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H49N6O.Pt/c1-42-37-63(72-62-39-45(35-36-50(62)51-25-17-26-53(65(51)72)66(2,3)4)73-44-20-16-19-43(38-44)69-41-68(5)58-31-14-15-32-59(58)69)67-40-52(42)64-60(70-54-27-10-6-21-46(54)47-22-7-11-28-55(47)70)33-18-34-61(64)71-56-29-12-8-23-48(56)49-24-9-13-30-57(49)71;/h6-37,40-41H,1-5H3;/q-3;.

What are the key properties of 8-tert-butyl-9-[5-[2,6-di(carbazol-9-yl)phenyl]-4-methyl-2-pyridinyl]-2-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum?

8-tert-butyl-9-[5-[2,6-di(carbazol-9-yl)phenyl]-4-methyl-2-pyridinyl]-2-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum has a molecular weight of 1137.24 g/mol, XLogP of 16.74, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 8-tert-butyl-9-[5-[2,6-di(carbazol-9-yl)phenyl]-4-methyl-2-pyridinyl]-2-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 169289084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).