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

C56H50N8OPt-2 — CID 153490552

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

2-[3-[3-[2,6-bis(5-tert-butylpyrimidin-2-yl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum (PubChem CID 153490552) has the molecular formula C56H50N8OPt-2 and a molecular weight of 1046.15 g/mol. Its IUPAC name is 2-[3-[3-[2,6-bis(5-tert-butylpyrimidin-2-yl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 2-[3-[3-[2,6-bis(5-tert-butylpyrimidin-2-yl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum
• PubChem CID: 153490552
• Molecular Formula: C56H50N8OPt-2
• Molecular Weight: 1046.15 g/mol
• Exact Mass: 1045.38
• IUPAC Name: 2-[3-[3-[2,6-bis(5-tert-butylpyrimidin-2-yl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum
• SMILES: CC(C)(C)c1cnc(-c2cccc(-c3ncc(C(C)(C)C)cn3)c2-[n+]2[c-]n(-c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4cc(C(C)(C)C)ccn4)ccc3)c3ccccc32)nc1.[Pt]
• InChI: InChI=1S/C56H50N8O.Pt/c1-54(2,3)36-26-27-57-50(28-36)64-46-21-11-10-18-42(46)43-25-24-41(30-49(43)64)65-40-17-14-16-39(29-40)62-35-63(48-23-13-12-22-47(48)62)51-44(52-58-31-37(32-59-52)55(4,5)6)19-15-20-45(51)53-60-33-38(34-61-53)56(7,8)9;/h10-28,31-34H,1-9H3;/q-2
• InChIKey: JSUWVTIOPFUFDQ-UHFFFAOYSA-N
• XLogP: 12.40
• TPSA: 87.42 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1046.15
LogP ≤ 5	12.40
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

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

The IUPAC name of 2-[3-[3-[2,6-bis(5-tert-butylpyrimidin-2-yl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum (CID 153490552) is 2-[3-[3-[2,6-bis(5-tert-butylpyrimidin-2-yl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum.

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

The canonical SMILES for 2-[3-[3-[2,6-bis(5-tert-butylpyrimidin-2-yl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum is CC(C)(C)c1cnc(-c2cccc(-c3ncc(C(C)(C)C)cn3)c2-[n+]2[c-]n(-c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4cc(C(C)(C)C)ccn4)ccc3)c3ccccc32)nc1.[Pt].

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

The InChIKey is JSUWVTIOPFUFDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H50N8O.Pt/c1-54(2,3)36-26-27-57-50(28-36)64-46-21-11-10-18-42(46)43-25-24-41(30-49(43)64)65-40-17-14-16-39(29-40)62-35-63(48-23-13-12-22-47(48)62)51-44(52-58-31-37(32-59-52)55(4,5)6)19-15-20-45(51)53-60-33-38(34-61-53)56(7,8)9;/h10-28,31-34H,1-9H3;/q-2;.

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

2-[3-[3-[2,6-bis(5-tert-butylpyrimidin-2-yl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum has a molecular weight of 1046.15 g/mol, XLogP of 12.40, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[3-[2,6-bis(5-tert-butylpyrimidin-2-yl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 153490552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).