2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-(4-carbazol-9-yl-2,6-diphenylphenoxy)-2-pyridinyl]-1H-carbazol-1-ide;platinum

C78H50N5O2Pt-3 — CID 170671569

About 2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-(4-carbazol-9-yl-2,6-diphenylphenoxy)-2-pyridinyl]-1H-carbazol-1-ide;platinum

2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-(4-carbazol-9-yl-2,6-diphenylphenoxy)-2-pyridinyl]-1H-carbazol-1-ide;platinum (PubChem CID 170671569) has the molecular formula C78H50N5O2Pt-3 and a molecular weight of 1294.43 g/mol. Its IUPAC name is 2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-(4-carbazol-9-yl-2,6-diphenylphenoxy)-2-pyridinyl]-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-(4-carbazol-9-yl-2,6-diphenylphenoxy)-2-pyridinyl]-1H-carbazol-1-ide;platinum
• PubChem CID: 170671569
• Molecular Formula: C78H50N5O2Pt-3
• Molecular Weight: 1294.43 g/mol
• Exact Mass: 1293.43
• IUPAC Name: 2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-(4-carbazol-9-yl-2,6-diphenylphenoxy)-2-pyridinyl]-1H-carbazol-1-ide;platinum
• SMILES: [2H]c1c([2H])c([2H])c(-c2cccc(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])c2N2[CH-]N(c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4cc(Oc5c(-c6ccccc6)cc(-n6c7ccccc7c7ccccc76)cc5-c5ccccc5)ccn4)ccc3)c3ccccc32)c([2H])c1[2H].[Pt]
• InChI: InChI=1S/C78H50N5O2.Pt/c1-5-23-53(24-6-1)62-36-22-37-63(54-25-7-2-8-26-54)77(62)81-52-80(73-41-19-20-42-74(73)81)57-31-21-32-59(47-57)84-60-43-44-67-66-35-15-18-40-72(66)83(75(67)50-60)76-51-61(45-46-79-76)85-78-68(55-27-9-3-10-28-55)48-58(49-69(78)56-29-11-4-12-30-56)82-70-38-16-13-33-64(70)65-34-14-17-39-71(65)82;/h1-46,48-49,51-52H;/q-3;/i1D,2D,5D,6D,7D,8D,23D,24D,25D,26D
• InChIKey: WMOJKBVOIUUNAP-XRPGBMMVSA-N
• XLogP: 20.54
• TPSA: 47.69 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 12
• Heavy Atoms: 86
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1294.43
LogP ≤ 5	20.54
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 2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-(4-carbazol-9-yl-2,6-diphenylphenoxy)-2-pyridinyl]-1H-carbazol-1-ide;platinum?

The IUPAC name of 2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-(4-carbazol-9-yl-2,6-diphenylphenoxy)-2-pyridinyl]-1H-carbazol-1-ide;platinum (CID 170671569) is 2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-(4-carbazol-9-yl-2,6-diphenylphenoxy)-2-pyridinyl]-1H-carbazol-1-ide;platinum.

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

The canonical SMILES for 2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-(4-carbazol-9-yl-2,6-diphenylphenoxy)-2-pyridinyl]-1H-carbazol-1-ide;platinum is [2H]c1c([2H])c([2H])c(-c2cccc(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])c2N2[CH-]N(c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4cc(Oc5c(-c6ccccc6)cc(-n6c7ccccc7c7ccccc76)cc5-c5ccccc5)ccn4)ccc3)c3ccccc32)c([2H])c1[2H].[Pt].

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

The InChIKey is WMOJKBVOIUUNAP-XRPGBMMVSA-N. The full InChI is InChI=1S/C78H50N5O2.Pt/c1-5-23-53(24-6-1)62-36-22-37-63(54-25-7-2-8-26-54)77(62)81-52-80(73-41-19-20-42-74(73)81)57-31-21-32-59(47-57)84-60-43-44-67-66-35-15-18-40-72(66)83(75(67)50-60)76-51-61(45-46-79-76)85-78-68(55-27-9-3-10-28-55)48-58(49-69(78)56-29-11-4-12-30-56)82-70-38-16-13-33-64(70)65-34-14-17-39-71(65)82;/h1-46,48-49,51-52H;/q-3;/i1D,2D,5D,6D,7D,8D,23D,24D,25D,26D;.

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

2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-(4-carbazol-9-yl-2,6-diphenylphenoxy)-2-pyridinyl]-1H-carbazol-1-ide;platinum has a molecular weight of 1294.43 g/mol, XLogP of 20.54, 12 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-(4-carbazol-9-yl-2,6-diphenylphenoxy)-2-pyridinyl]-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 170671569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).