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

C64H44N6OPt-2 — CID 153490649

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

9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[3,5-di(carbazol-9-yl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum (PubChem CID 153490649) has the molecular formula C64H44N6OPt-2 and a molecular weight of 1108.18 g/mol. Its IUPAC name is 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[3,5-di(carbazol-9-yl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[3,5-di(carbazol-9-yl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum
• PubChem CID: 153490649
• Molecular Formula: C64H44N6OPt-2
• Molecular Weight: 1108.18 g/mol
• Exact Mass: 1107.32
• IUPAC Name: 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[3,5-di(carbazol-9-yl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum
• SMILES: CC(C)(C)c1ccnc(-n2c3[c-]c(Oc4[c-]c(-n5[c-][n+](-c6cc(-n7c8ccccc8c8ccccc87)cc(-n7c8ccccc8c8ccccc87)c6)c6ccccc65)ccc4)ccc3c3ccccc32)c1.[Pt]
• InChI: InChI=1S/C64H44N6O.Pt/c1-64(2,3)42-33-34-65-63(35-42)70-59-28-13-8-23-53(59)54-32-31-48(40-62(54)70)71-47-18-16-17-43(39-47)66-41-67(61-30-15-14-29-60(61)66)44-36-45(68-55-24-9-4-19-49(55)50-20-5-10-25-56(50)68)38-46(37-44)69-57-26-11-6-21-51(57)52-22-7-12-27-58(52)69;/h4-38H,1-3H3;/q-2
• InChIKey: QHVKCTRACYBKQX-UHFFFAOYSA-N
• XLogP: 15.08
• TPSA: 45.72 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1108.18
LogP ≤ 5	15.08
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

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

The IUPAC name of 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[3,5-di(carbazol-9-yl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum (CID 153490649) is 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[3,5-di(carbazol-9-yl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum.

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

The canonical SMILES for 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[3,5-di(carbazol-9-yl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum is CC(C)(C)c1ccnc(-n2c3[c-]c(Oc4[c-]c(-n5[c-][n+](-c6cc(-n7c8ccccc8c8ccccc87)cc(-n7c8ccccc8c8ccccc87)c6)c6ccccc65)ccc4)ccc3c3ccccc32)c1.[Pt].

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

The InChIKey is QHVKCTRACYBKQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H44N6O.Pt/c1-64(2,3)42-33-34-65-63(35-42)70-59-28-13-8-23-53(59)54-32-31-48(40-62(54)70)71-47-18-16-17-43(39-47)66-41-67(61-30-15-14-29-60(61)66)44-36-45(68-55-24-9-4-19-49(55)50-20-5-10-25-56(50)68)38-46(37-44)69-57-26-11-6-21-51(57)52-22-7-12-27-58(52)69;/h4-38H,1-3H3;/q-2;.

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

9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[3,5-di(carbazol-9-yl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum has a molecular weight of 1108.18 g/mol, XLogP of 15.08, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[3,5-di(carbazol-9-yl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 153490649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).