2-[3-(2,6-diphenylphenyl)-5-[3-(2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-[4-[2-(4-methylphenyl)-2-adamantyl]-2-pyridinyl]-1H-carbazol-1-ide;platinum

C83H63N4OPt-3 — CID 162704593

About 2-[3-(2,6-diphenylphenyl)-5-[3-(2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-[4-[2-(4-methylphenyl)-2-adamantyl]-2-pyridinyl]-1H-carbazol-1-ide;platinum

2-[3-(2,6-diphenylphenyl)-5-[3-(2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-[4-[2-(4-methylphenyl)-2-adamantyl]-2-pyridinyl]-1H-carbazol-1-ide;platinum (PubChem CID 162704593) has the molecular formula C83H63N4OPt-3 and a molecular weight of 1327.52 g/mol. Its IUPAC name is 2-[3-(2,6-diphenylphenyl)-5-[3-(2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-[4-[2-(4-methylphenyl)-2-adamantyl]-2-pyridinyl]-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 2-[3-(2,6-diphenylphenyl)-5-[3-(2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-[4-[2-(4-methylphenyl)-2-adamantyl]-2-pyridinyl]-1H-carbazol-1-ide;platinum
• PubChem CID: 162704593
• Molecular Formula: C83H63N4OPt-3
• Molecular Weight: 1327.52 g/mol
• Exact Mass: 1326.47
• IUPAC Name: 2-[3-(2,6-diphenylphenyl)-5-[3-(2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-[4-[2-(4-methylphenyl)-2-adamantyl]-2-pyridinyl]-1H-carbazol-1-ide;platinum
• SMILES: Cc1ccc(C2(c3ccnc(-n4c5[c-]c(Oc6[c-]c(N7[CH-]N(c8c(-c9ccccc9)cccc8-c8ccccc8)c8ccccc87)cc(-c7c(-c8ccccc8)cccc7-c7ccccc7)c6)ccc5c5ccccc54)c3)C3CC4CC(C3)CC2C4)cc1.[Pt]
• InChI: InChI=1S/C83H63N4O.Pt/c1-55-36-38-63(39-37-55)83(65-45-56-44-57(47-65)48-66(83)46-56)64-42-43-84-80(51-64)87-76-33-15-14-28-74(76)75-41-40-68(53-79(75)87)88-69-50-62(81-70(58-20-6-2-7-21-58)29-18-30-71(81)59-22-8-3-9-23-59)49-67(52-69)85-54-86(78-35-17-16-34-77(78)85)82-72(60-24-10-4-11-25-60)31-19-32-73(82)61-26-12-5-13-27-61;/h2-43,49-51,54,56-57,65-66H,44-48H2,1H3;/q-3
• InChIKey: IUGSEZMOFIGIIA-UHFFFAOYSA-N
• XLogP: 21.36
• TPSA: 33.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 12
• Heavy Atoms: 89
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1327.52
LogP ≤ 5	21.36
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,6-diphenylphenyl)-5-[3-(2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-[4-[2-(4-methylphenyl)-2-adamantyl]-2-pyridinyl]-1H-carbazol-1-ide;platinum?

The IUPAC name of 2-[3-(2,6-diphenylphenyl)-5-[3-(2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-[4-[2-(4-methylphenyl)-2-adamantyl]-2-pyridinyl]-1H-carbazol-1-ide;platinum (CID 162704593) is 2-[3-(2,6-diphenylphenyl)-5-[3-(2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-[4-[2-(4-methylphenyl)-2-adamantyl]-2-pyridinyl]-1H-carbazol-1-ide;platinum.

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

The canonical SMILES for 2-[3-(2,6-diphenylphenyl)-5-[3-(2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-[4-[2-(4-methylphenyl)-2-adamantyl]-2-pyridinyl]-1H-carbazol-1-ide;platinum is Cc1ccc(C2(c3ccnc(-n4c5[c-]c(Oc6[c-]c(N7[CH-]N(c8c(-c9ccccc9)cccc8-c8ccccc8)c8ccccc87)cc(-c7c(-c8ccccc8)cccc7-c7ccccc7)c6)ccc5c5ccccc54)c3)C3CC4CC(C3)CC2C4)cc1.[Pt].

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

The InChIKey is IUGSEZMOFIGIIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C83H63N4O.Pt/c1-55-36-38-63(39-37-55)83(65-45-56-44-57(47-65)48-66(83)46-56)64-42-43-84-80(51-64)87-76-33-15-14-28-74(76)75-41-40-68(53-79(75)87)88-69-50-62(81-70(58-20-6-2-7-21-58)29-18-30-71(81)59-22-8-3-9-23-59)49-67(52-69)85-54-86(78-35-17-16-34-77(78)85)82-72(60-24-10-4-11-25-60)31-19-32-73(82)61-26-12-5-13-27-61;/h2-43,49-51,54,56-57,65-66H,44-48H2,1H3;/q-3;.

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

2-[3-(2,6-diphenylphenyl)-5-[3-(2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-[4-[2-(4-methylphenyl)-2-adamantyl]-2-pyridinyl]-1H-carbazol-1-ide;platinum has a molecular weight of 1327.52 g/mol, XLogP of 21.36, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-(2,6-diphenylphenyl)-5-[3-(2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-[4-[2-(4-methylphenyl)-2-adamantyl]-2-pyridinyl]-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 162704593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).