9-[5-(3-dibenzothiophen-2-ylphenyl)-4-methyl-2-pyridinyl]-2-[3-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum

C63H51N4OPtS-3 — CID 164726997

About 9-[5-(3-dibenzothiophen-2-ylphenyl)-4-methyl-2-pyridinyl]-2-[3-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum

9-[5-(3-dibenzothiophen-2-ylphenyl)-4-methyl-2-pyridinyl]-2-[3-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum (PubChem CID 164726997) has the molecular formula C63H51N4OPtS-3 and a molecular weight of 1107.27 g/mol. Its IUPAC name is 9-[5-(3-dibenzothiophen-2-ylphenyl)-4-methyl-2-pyridinyl]-2-[3-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 9-[5-(3-dibenzothiophen-2-ylphenyl)-4-methyl-2-pyridinyl]-2-[3-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum
• PubChem CID: 164726997
• Molecular Formula: C63H51N4OPtS-3
• Molecular Weight: 1107.27 g/mol
• Exact Mass: 1106.34
• IUPAC Name: 9-[5-(3-dibenzothiophen-2-ylphenyl)-4-methyl-2-pyridinyl]-2-[3-[3-(3,5-ditert-butylphenyl)-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(c6cc(C(C)(C)C)cc(C(C)(C)C)c6)c6ccccc65)ccc4)ccc3c3ccccc32)ncc1-c1cccc(-c2ccc3sc4ccccc4c3c2)c1.[Pt]
• InChI: InChI=1S/C63H51N4OS.Pt/c1-40-30-61(64-38-54(40)43-17-14-16-41(31-43)42-26-29-60-53(32-42)52-21-9-13-25-59(52)69-60)67-55-22-10-8-20-50(55)51-28-27-49(37-58(51)67)68-48-19-15-18-46(36-48)65-39-66(57-24-12-11-23-56(57)65)47-34-44(62(2,3)4)33-45(35-47)63(5,6)7;/h8-35,38-39H,1-7H3;/q-3
• InChIKey: ZFSKYWHGSYWFAR-UHFFFAOYSA-N
• XLogP: 17.58
• TPSA: 33.53 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1107.27
LogP ≤ 5	17.58
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-[5-(3-dibenzothiophen-2-ylphenyl)-4-methyl-2-pyridinyl]-2-[3-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum?

The IUPAC name of 9-[5-(3-dibenzothiophen-2-ylphenyl)-4-methyl-2-pyridinyl]-2-[3-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum (CID 164726997) is 9-[5-(3-dibenzothiophen-2-ylphenyl)-4-methyl-2-pyridinyl]-2-[3-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum.

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

The canonical SMILES for 9-[5-(3-dibenzothiophen-2-ylphenyl)-4-methyl-2-pyridinyl]-2-[3-[3-(3,5-ditert-butylphenyl)-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(c6cc(C(C)(C)C)cc(C(C)(C)C)c6)c6ccccc65)ccc4)ccc3c3ccccc32)ncc1-c1cccc(-c2ccc3sc4ccccc4c3c2)c1.[Pt].

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

The InChIKey is ZFSKYWHGSYWFAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H51N4OS.Pt/c1-40-30-61(64-38-54(40)43-17-14-16-41(31-43)42-26-29-60-53(32-42)52-21-9-13-25-59(52)69-60)67-55-22-10-8-20-50(55)51-28-27-49(37-58(51)67)68-48-19-15-18-46(36-48)65-39-66(57-24-12-11-23-56(57)65)47-34-44(62(2,3)4)33-45(35-47)63(5,6)7;/h8-35,38-39H,1-7H3;/q-3;.

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

9-[5-(3-dibenzothiophen-2-ylphenyl)-4-methyl-2-pyridinyl]-2-[3-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum has a molecular weight of 1107.27 g/mol, XLogP of 17.58, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[5-(3-dibenzothiophen-2-ylphenyl)-4-methyl-2-pyridinyl]-2-[3-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 164726997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).