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-naphthalen-1-yl-2-adamantyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum

C86H63N4OPt-3 — CID 162704431

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-naphthalen-1-yl-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-naphthalen-1-yl-2-adamantyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum (PubChem CID 162704431) has the molecular formula C86H63N4OPt-3 and a molecular weight of 1363.56 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-naphthalen-1-yl-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-naphthalen-1-yl-2-adamantyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum
• PubChem CID: 162704431
• Molecular Formula: C86H63N4OPt-3
• Molecular Weight: 1363.56 g/mol
• Exact Mass: 1362.47
• 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-naphthalen-1-yl-2-adamantyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum
• SMILES: [Pt].[c-]1c(Oc2[c-]c3c(cc2)c2ccccc2n3-c2cc(C3(c4cccc5ccccc45)C4CC5CC(C4)CC3C5)ccn2)cc(-c2c(-c3ccccc3)cccc2-c2ccccc2)cc1N1[CH-]N(c2c(-c3ccccc3)cccc2-c2ccccc2)c2ccccc21
• InChI: InChI=1S/C86H63N4O.Pt/c1-5-22-60(23-6-1)72-34-20-35-73(61-24-7-2-8-25-61)84(72)64-51-68(88-56-89(81-41-18-17-40-80(81)88)85-74(62-26-9-3-10-27-62)36-21-37-75(85)63-28-11-4-12-29-63)54-70(52-64)91-69-42-43-77-76-33-15-16-39-79(76)90(82(77)55-69)83-53-65(44-45-87-83)86(66-47-57-46-58(49-66)50-67(86)48-57)78-38-19-31-59-30-13-14-32-71(59)78;/h1-45,51-53,56-58,66-67H,46-50H2;/q-3
• InChIKey: XSJLPNZPMGBQSU-UHFFFAOYSA-N
• XLogP: 22.21
• TPSA: 33.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 12
• Heavy Atoms: 92
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1363.56
LogP ≤ 5	22.21
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-naphthalen-1-yl-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-naphthalen-1-yl-2-adamantyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum (CID 162704431) 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-naphthalen-1-yl-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-naphthalen-1-yl-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-naphthalen-1-yl-2-adamantyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum is [Pt].[c-]1c(Oc2[c-]c3c(cc2)c2ccccc2n3-c2cc(C3(c4cccc5ccccc45)C4CC5CC(C4)CC3C5)ccn2)cc(-c2c(-c3ccccc3)cccc2-c2ccccc2)cc1N1[CH-]N(c2c(-c3ccccc3)cccc2-c2ccccc2)c2ccccc21.

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-naphthalen-1-yl-2-adamantyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum?

The InChIKey is XSJLPNZPMGBQSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C86H63N4O.Pt/c1-5-22-60(23-6-1)72-34-20-35-73(61-24-7-2-8-25-61)84(72)64-51-68(88-56-89(81-41-18-17-40-80(81)88)85-74(62-26-9-3-10-27-62)36-21-37-75(85)63-28-11-4-12-29-63)54-70(52-64)91-69-42-43-77-76-33-15-16-39-79(76)90(82(77)55-69)83-53-65(44-45-87-83)86(66-47-57-46-58(49-66)50-67(86)48-57)78-38-19-31-59-30-13-14-32-71(59)78;/h1-45,51-53,56-58,66-67H,46-50H2;/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-naphthalen-1-yl-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-naphthalen-1-yl-2-adamantyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum has a molecular weight of 1363.56 g/mol, XLogP of 22.21, 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-naphthalen-1-yl-2-adamantyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 162704431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).