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

C68H43N6OPtS-3 — CID 169288984

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

9-[5-[2,6-di(carbazol-9-yl)phenyl]-4-methyl-2-pyridinyl]-2-[[2-(3-methyl-2H-benzimidazol-2-id-1-yl)-3H-dibenzothiophen-3-id-4-yl]oxy]-1H-carbazol-1-ide;platinum (PubChem CID 169288984) has the molecular formula C68H43N6OPtS-3 and a molecular weight of 1187.28 g/mol. Its IUPAC name is 9-[5-[2,6-di(carbazol-9-yl)phenyl]-4-methyl-2-pyridinyl]-2-[[2-(3-methyl-2H-benzimidazol-2-id-1-yl)-3H-dibenzothiophen-3-id-4-yl]oxy]-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 9-[5-[2,6-di(carbazol-9-yl)phenyl]-4-methyl-2-pyridinyl]-2-[[2-(3-methyl-2H-benzimidazol-2-id-1-yl)-3H-dibenzothiophen-3-id-4-yl]oxy]-1H-carbazol-1-ide;platinum
• PubChem CID: 169288984
• Molecular Formula: C68H43N6OPtS-3
• Molecular Weight: 1187.28 g/mol
• Exact Mass: 1186.29
• IUPAC Name: 9-[5-[2,6-di(carbazol-9-yl)phenyl]-4-methyl-2-pyridinyl]-2-[[2-(3-methyl-2H-benzimidazol-2-id-1-yl)-3H-dibenzothiophen-3-id-4-yl]oxy]-1H-carbazol-1-ide;platinum
• SMILES: Cc1cc(-n2c3[c-]c(Oc4[c-]c(N5[CH-]N(C)c6ccccc65)cc5c4sc4ccccc45)ccc3c3ccccc32)ncc1-c1c(-n2c3ccccc3c3ccccc32)cccc1-n1c2ccccc2c2ccccc21.[Pt]
• InChI: InChI=1S/C68H43N6OS.Pt/c1-42-36-66(69-40-53(42)67-61(72-54-24-9-3-18-45(54)46-19-4-10-25-55(46)72)31-17-32-62(67)73-56-26-11-5-20-47(56)48-21-6-12-27-57(48)73)74-58-28-13-7-22-49(58)50-35-34-44(39-63(50)74)75-64-38-43(71-41-70(2)59-29-14-15-30-60(59)71)37-52-51-23-8-16-33-65(51)76-68(52)64;/h3-37,40-41H,1-2H3;/q-3
• InChIKey: XKFKGKHHSMOXCH-UHFFFAOYSA-N
• XLogP: 17.81
• TPSA: 43.39 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 77
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1187.28
LogP ≤ 5	17.81
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 9-[5-[2,6-di(carbazol-9-yl)phenyl]-4-methyl-2-pyridinyl]-2-[[2-(3-methyl-2H-benzimidazol-2-id-1-yl)-3H-dibenzothiophen-3-id-4-yl]oxy]-1H-carbazol-1-ide;platinum?

The IUPAC name of 9-[5-[2,6-di(carbazol-9-yl)phenyl]-4-methyl-2-pyridinyl]-2-[[2-(3-methyl-2H-benzimidazol-2-id-1-yl)-3H-dibenzothiophen-3-id-4-yl]oxy]-1H-carbazol-1-ide;platinum (CID 169288984) is 9-[5-[2,6-di(carbazol-9-yl)phenyl]-4-methyl-2-pyridinyl]-2-[[2-(3-methyl-2H-benzimidazol-2-id-1-yl)-3H-dibenzothiophen-3-id-4-yl]oxy]-1H-carbazol-1-ide;platinum.

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

The canonical SMILES for 9-[5-[2,6-di(carbazol-9-yl)phenyl]-4-methyl-2-pyridinyl]-2-[[2-(3-methyl-2H-benzimidazol-2-id-1-yl)-3H-dibenzothiophen-3-id-4-yl]oxy]-1H-carbazol-1-ide;platinum is Cc1cc(-n2c3[c-]c(Oc4[c-]c(N5[CH-]N(C)c6ccccc65)cc5c4sc4ccccc45)ccc3c3ccccc32)ncc1-c1c(-n2c3ccccc3c3ccccc32)cccc1-n1c2ccccc2c2ccccc21.[Pt].

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

The InChIKey is XKFKGKHHSMOXCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H43N6OS.Pt/c1-42-36-66(69-40-53(42)67-61(72-54-24-9-3-18-45(54)46-19-4-10-25-55(46)72)31-17-32-62(67)73-56-26-11-5-20-47(56)48-21-6-12-27-57(48)73)74-58-28-13-7-22-49(58)50-35-34-44(39-63(50)74)75-64-38-43(71-41-70(2)59-29-14-15-30-60(59)71)37-52-51-23-8-16-33-65(51)76-68(52)64;/h3-37,40-41H,1-2H3;/q-3;.

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

9-[5-[2,6-di(carbazol-9-yl)phenyl]-4-methyl-2-pyridinyl]-2-[[2-(3-methyl-2H-benzimidazol-2-id-1-yl)-3H-dibenzothiophen-3-id-4-yl]oxy]-1H-carbazol-1-ide;platinum has a molecular weight of 1187.28 g/mol, XLogP of 17.81, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[5-[2,6-di(carbazol-9-yl)phenyl]-4-methyl-2-pyridinyl]-2-[[2-(3-methyl-2H-benzimidazol-2-id-1-yl)-3H-dibenzothiophen-3-id-4-yl]oxy]-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 169288984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).