2-[[2-[3-[2,6-bis(3,5-diphenylphenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]-3H-pyridin-3-id-4-yl]oxy]-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum

C75H53N5OPt-2 — CID 155657262

About 2-[[2-[3-[2,6-bis(3,5-diphenylphenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]-3H-pyridin-3-id-4-yl]oxy]-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum

2-[[2-[3-[2,6-bis(3,5-diphenylphenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]-3H-pyridin-3-id-4-yl]oxy]-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum (PubChem CID 155657262) has the molecular formula C75H53N5OPt-2 and a molecular weight of 1235.36 g/mol. Its IUPAC name is 2-[[2-[3-[2,6-bis(3,5-diphenylphenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]-3H-pyridin-3-id-4-yl]oxy]-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 2-[[2-[3-[2,6-bis(3,5-diphenylphenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]-3H-pyridin-3-id-4-yl]oxy]-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum
• PubChem CID: 155657262
• Molecular Formula: C75H53N5OPt-2
• Molecular Weight: 1235.36 g/mol
• Exact Mass: 1234.39
• IUPAC Name: 2-[[2-[3-[2,6-bis(3,5-diphenylphenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]-3H-pyridin-3-id-4-yl]oxy]-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum
• SMILES: CC(C)(C)c1ccnc(-n2c3[c-]c(Oc4[c-]c(-n5[c-][n+](-c6c(-c7cc(-c8ccccc8)cc(-c8ccccc8)c7)cccc6-c6cc(-c7ccccc7)cc(-c7ccccc7)c6)c6ccccc65)ncc4)ccc3c3ccccc32)c1.[Pt]
• InChI: InChI=1S/C75H53N5O.Pt/c1-75(2,3)61-37-39-77-73(47-61)80-68-32-17-16-29-66(68)67-36-35-62(48-71(67)80)81-63-38-40-76-72(49-63)78-50-79(70-34-19-18-33-69(70)78)74-64(59-43-55(51-21-8-4-9-22-51)41-56(44-59)52-23-10-5-11-24-52)30-20-31-65(74)60-45-57(53-25-12-6-13-26-53)42-58(46-60)54-27-14-7-15-28-54;/h4-47H,1-3H3;/q-2
• InChIKey: JXQSQTAKVOAUCQ-UHFFFAOYSA-N
• XLogP: 18.28
• TPSA: 48.75 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 11
• Heavy Atoms: 82
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1235.36
LogP ≤ 5	18.28
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': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[3-[2,6-bis(3,5-diphenylphenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]-3H-pyridin-3-id-4-yl]oxy]-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum?

The IUPAC name of 2-[[2-[3-[2,6-bis(3,5-diphenylphenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]-3H-pyridin-3-id-4-yl]oxy]-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum (CID 155657262) is 2-[[2-[3-[2,6-bis(3,5-diphenylphenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]-3H-pyridin-3-id-4-yl]oxy]-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum.

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

The canonical SMILES for 2-[[2-[3-[2,6-bis(3,5-diphenylphenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]-3H-pyridin-3-id-4-yl]oxy]-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum is CC(C)(C)c1ccnc(-n2c3[c-]c(Oc4[c-]c(-n5[c-][n+](-c6c(-c7cc(-c8ccccc8)cc(-c8ccccc8)c7)cccc6-c6cc(-c7ccccc7)cc(-c7ccccc7)c6)c6ccccc65)ncc4)ccc3c3ccccc32)c1.[Pt].

What is the InChIKey of 2-[[2-[3-[2,6-bis(3,5-diphenylphenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]-3H-pyridin-3-id-4-yl]oxy]-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum?

The InChIKey is JXQSQTAKVOAUCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C75H53N5O.Pt/c1-75(2,3)61-37-39-77-73(47-61)80-68-32-17-16-29-66(68)67-36-35-62(48-71(67)80)81-63-38-40-76-72(49-63)78-50-79(70-34-19-18-33-69(70)78)74-64(59-43-55(51-21-8-4-9-22-51)41-56(44-59)52-23-10-5-11-24-52)30-20-31-65(74)60-45-57(53-25-12-6-13-26-53)42-58(46-60)54-27-14-7-15-28-54;/h4-47H,1-3H3;/q-2;.

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

2-[[2-[3-[2,6-bis(3,5-diphenylphenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]-3H-pyridin-3-id-4-yl]oxy]-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum has a molecular weight of 1235.36 g/mol, XLogP of 18.28, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[2-[3-[2,6-bis(3,5-diphenylphenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]-3H-pyridin-3-id-4-yl]oxy]-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 155657262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).