2-[3-(3-dibenzofuran-2-yl-2H-benzimidazol-3-ium-2-id-1-yl)benzene-2-id-1-yl]oxy-9-[5-[3,5-di(carbazol-9-yl)phenyl]-2-pyridinyl]-1H-carbazol-1-ide;platinum

C72H42N6O2Pt-2 — CID 176797796

About 2-[3-(3-dibenzofuran-2-yl-2H-benzimidazol-3-ium-2-id-1-yl)benzene-2-id-1-yl]oxy-9-[5-[3,5-di(carbazol-9-yl)phenyl]-2-pyridinyl]-1H-carbazol-1-ide;platinum

2-[3-(3-dibenzofuran-2-yl-2H-benzimidazol-3-ium-2-id-1-yl)benzene-2-id-1-yl]oxy-9-[5-[3,5-di(carbazol-9-yl)phenyl]-2-pyridinyl]-1H-carbazol-1-ide;platinum (PubChem CID 176797796) has the molecular formula C72H42N6O2Pt-2 and a molecular weight of 1218.25 g/mol. Its IUPAC name is 2-[3-(3-dibenzofuran-2-yl-2H-benzimidazol-3-ium-2-id-1-yl)benzene-2-id-1-yl]oxy-9-[5-[3,5-di(carbazol-9-yl)phenyl]-2-pyridinyl]-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 2-[3-(3-dibenzofuran-2-yl-2H-benzimidazol-3-ium-2-id-1-yl)benzene-2-id-1-yl]oxy-9-[5-[3,5-di(carbazol-9-yl)phenyl]-2-pyridinyl]-1H-carbazol-1-ide;platinum
• PubChem CID: 176797796
• Molecular Formula: C72H42N6O2Pt-2
• Molecular Weight: 1218.25 g/mol
• Exact Mass: 1217.30
• IUPAC Name: 2-[3-(3-dibenzofuran-2-yl-2H-benzimidazol-3-ium-2-id-1-yl)benzene-2-id-1-yl]oxy-9-[5-[3,5-di(carbazol-9-yl)phenyl]-2-pyridinyl]-1H-carbazol-1-ide;platinum
• SMILES: [Pt].[c-]1c(Oc2[c-]c3c(cc2)c2ccccc2n3-c2ccc(-c3cc(-n4c5ccccc5c5ccccc54)cc(-n4c5ccccc5c5ccccc54)c3)cn2)cccc1-n1[c-][n+](-c2ccc3oc4ccccc4c3c2)c2ccccc21
• InChI: InChI=1S/C72H42N6O2.Pt/c1-7-24-62-54(18-1)55-19-2-8-25-63(55)76(62)50-38-47(39-51(40-50)77-64-26-9-3-20-56(64)57-21-4-10-27-65(57)77)46-32-37-72(73-44-46)78-66-28-11-5-22-58(66)59-35-34-53(43-69(59)78)79-52-17-15-16-48(41-52)74-45-75(68-30-13-12-29-67(68)74)49-33-36-71-61(42-49)60-23-6-14-31-70(60)80-71;/h1-40,42,44H;/q-2
• InChIKey: GTLNQXZRNOVBFQ-UHFFFAOYSA-N
• XLogP: 17.35
• TPSA: 58.86 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 81
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1218.25
LogP ≤ 5	17.35
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of 2-[3-(3-dibenzofuran-2-yl-2H-benzimidazol-3-ium-2-id-1-yl)benzene-2-id-1-yl]oxy-9-[5-[3,5-di(carbazol-9-yl)phenyl]-2-pyridinyl]-1H-carbazol-1-ide;platinum (CID 176797796) is 2-[3-(3-dibenzofuran-2-yl-2H-benzimidazol-3-ium-2-id-1-yl)benzene-2-id-1-yl]oxy-9-[5-[3,5-di(carbazol-9-yl)phenyl]-2-pyridinyl]-1H-carbazol-1-ide;platinum.

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

The canonical SMILES for 2-[3-(3-dibenzofuran-2-yl-2H-benzimidazol-3-ium-2-id-1-yl)benzene-2-id-1-yl]oxy-9-[5-[3,5-di(carbazol-9-yl)phenyl]-2-pyridinyl]-1H-carbazol-1-ide;platinum is [Pt].[c-]1c(Oc2[c-]c3c(cc2)c2ccccc2n3-c2ccc(-c3cc(-n4c5ccccc5c5ccccc54)cc(-n4c5ccccc5c5ccccc54)c3)cn2)cccc1-n1[c-][n+](-c2ccc3oc4ccccc4c3c2)c2ccccc21.

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

The InChIKey is GTLNQXZRNOVBFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H42N6O2.Pt/c1-7-24-62-54(18-1)55-19-2-8-25-63(55)76(62)50-38-47(39-51(40-50)77-64-26-9-3-20-56(64)57-21-4-10-27-65(57)77)46-32-37-72(73-44-46)78-66-28-11-5-22-58(66)59-35-34-53(43-69(59)78)79-52-17-15-16-48(41-52)74-45-75(68-30-13-12-29-67(68)74)49-33-36-71-61(42-49)60-23-6-14-31-70(60)80-71;/h1-40,42,44H;/q-2;.

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

2-[3-(3-dibenzofuran-2-yl-2H-benzimidazol-3-ium-2-id-1-yl)benzene-2-id-1-yl]oxy-9-[5-[3,5-di(carbazol-9-yl)phenyl]-2-pyridinyl]-1H-carbazol-1-ide;platinum has a molecular weight of 1218.25 g/mol, XLogP of 17.35, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-(3-dibenzofuran-2-yl-2H-benzimidazol-3-ium-2-id-1-yl)benzene-2-id-1-yl]oxy-9-[5-[3,5-di(carbazol-9-yl)phenyl]-2-pyridinyl]-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 176797796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).