2-[3-[3-(9,9-diphenylfluoren-2-yl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-(2-phenanthren-1-yl-2-adamantyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum

C79H57N4OPt-3 — CID 162704622

About 2-[3-[3-(9,9-diphenylfluoren-2-yl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-(2-phenanthren-1-yl-2-adamantyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum

2-[3-[3-(9,9-diphenylfluoren-2-yl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-(2-phenanthren-1-yl-2-adamantyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum (PubChem CID 162704622) has the molecular formula C79H57N4OPt-3 and a molecular weight of 1273.43 g/mol. Its IUPAC name is 2-[3-[3-(9,9-diphenylfluoren-2-yl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-(2-phenanthren-1-yl-2-adamantyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 2-[3-[3-(9,9-diphenylfluoren-2-yl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-(2-phenanthren-1-yl-2-adamantyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum
• PubChem CID: 162704622
• Molecular Formula: C79H57N4OPt-3
• Molecular Weight: 1273.43 g/mol
• Exact Mass: 1272.42
• IUPAC Name: 2-[3-[3-(9,9-diphenylfluoren-2-yl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-(2-phenanthren-1-yl-2-adamantyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum
• SMILES: [Pt].[c-]1c(Oc2[c-]c3c(cc2)c2ccccc2n3-c2cc(C3(c4cccc5c4ccc4ccccc45)C4CC5CC(C4)CC3C5)ccn2)cccc1N1[CH-]N(c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)c2ccccc21
• InChI: InChI=1S/C79H57N4O.Pt/c1-3-18-54(19-4-1)79(55-20-5-2-6-21-55)71-28-11-9-25-65(71)67-37-34-60(48-72(67)79)82-50-81(74-31-13-14-32-75(74)82)59-22-15-23-61(47-59)84-62-35-38-69-68-26-10-12-30-73(68)83(76(69)49-62)77-46-56(39-40-80-77)78(57-42-51-41-52(44-57)45-58(78)43-51)70-29-16-27-64-63-24-8-7-17-53(63)33-36-66(64)70;/h1-40,46,48,50-52,57-58H,41-45H2;/q-3
• InChIKey: MHMBJTUEGHDKAF-UHFFFAOYSA-N
• XLogP: 19.39
• TPSA: 33.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 85
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1273.43
LogP ≤ 5	19.39
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-(9,9-diphenylfluoren-2-yl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-(2-phenanthren-1-yl-2-adamantyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum?

The IUPAC name of 2-[3-[3-(9,9-diphenylfluoren-2-yl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-(2-phenanthren-1-yl-2-adamantyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum (CID 162704622) is 2-[3-[3-(9,9-diphenylfluoren-2-yl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-(2-phenanthren-1-yl-2-adamantyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum.

What is the SMILES notation for 2-[3-[3-(9,9-diphenylfluoren-2-yl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-(2-phenanthren-1-yl-2-adamantyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum?

The canonical SMILES for 2-[3-[3-(9,9-diphenylfluoren-2-yl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-(2-phenanthren-1-yl-2-adamantyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum is [Pt].[c-]1c(Oc2[c-]c3c(cc2)c2ccccc2n3-c2cc(C3(c4cccc5c4ccc4ccccc45)C4CC5CC(C4)CC3C5)ccn2)cccc1N1[CH-]N(c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)c2ccccc21.

What is the InChIKey of 2-[3-[3-(9,9-diphenylfluoren-2-yl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-(2-phenanthren-1-yl-2-adamantyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum?

The InChIKey is MHMBJTUEGHDKAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C79H57N4O.Pt/c1-3-18-54(19-4-1)79(55-20-5-2-6-21-55)71-28-11-9-25-65(71)67-37-34-60(48-72(67)79)82-50-81(74-31-13-14-32-75(74)82)59-22-15-23-61(47-59)84-62-35-38-69-68-26-10-12-30-73(68)83(76(69)49-62)77-46-56(39-40-80-77)78(57-42-51-41-52(44-57)45-58(78)43-51)70-29-16-27-64-63-24-8-7-17-53(63)33-36-66(64)70;/h1-40,46,48,50-52,57-58H,41-45H2;/q-3;.

What are the key properties of 2-[3-[3-(9,9-diphenylfluoren-2-yl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-(2-phenanthren-1-yl-2-adamantyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum?

2-[3-[3-(9,9-diphenylfluoren-2-yl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-(2-phenanthren-1-yl-2-adamantyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum has a molecular weight of 1273.43 g/mol, XLogP of 19.39, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[3-(9,9-diphenylfluoren-2-yl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-(2-phenanthren-1-yl-2-adamantyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 162704622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).