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

C64H45N6OPt-3 — CID 153490575

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

9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[2,6-di(carbazol-9-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum (PubChem CID 153490575) has the molecular formula C64H45N6OPt-3 and a molecular weight of 1109.18 g/mol. Its IUPAC name is 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[2,6-di(carbazol-9-yl)phenyl]-2H-benzimidazol-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-[2,6-di(carbazol-9-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum
• PubChem CID: 153490575
• Molecular Formula: C64H45N6OPt-3
• Molecular Weight: 1109.18 g/mol
• Exact Mass: 1108.33
• IUPAC Name: 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[2,6-di(carbazol-9-yl)phenyl]-2H-benzimidazol-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[CH-]N(c6c(-n7c8ccccc8c8ccccc87)cccc6-n6c7ccccc7c7ccccc76)c6ccccc65)ccc4)ccc3c3ccccc32)c1.[Pt]
• InChI: InChI=1S/C64H45N6O.Pt/c1-64(2,3)42-36-37-65-62(38-42)70-56-29-13-8-24-50(56)51-35-34-45(40-61(51)70)71-44-19-16-18-43(39-44)66-41-67(58-31-15-14-30-57(58)66)63-59(68-52-25-9-4-20-46(52)47-21-5-10-26-53(47)68)32-17-33-60(63)69-54-27-11-6-22-48(54)49-23-7-12-28-55(49)69;/h4-38,41H,1-3H3;/q-3
• InChIKey: YQIPXMCDWQTAOZ-UHFFFAOYSA-N
• XLogP: 16.47
• TPSA: 43.39 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1109.18
LogP ≤ 5	16.47
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[2,6-di(carbazol-9-yl)phenyl]-2H-benzimidazol-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-[2,6-di(carbazol-9-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum (CID 153490575) is 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[2,6-di(carbazol-9-yl)phenyl]-2H-benzimidazol-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-[2,6-di(carbazol-9-yl)phenyl]-2H-benzimidazol-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-[2,6-di(carbazol-9-yl)phenyl]-2H-benzimidazol-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[CH-]N(c6c(-n7c8ccccc8c8ccccc87)cccc6-n6c7ccccc7c7ccccc76)c6ccccc65)ccc4)ccc3c3ccccc32)c1.[Pt].

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

The InChIKey is YQIPXMCDWQTAOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H45N6O.Pt/c1-64(2,3)42-36-37-65-62(38-42)70-56-29-13-8-24-50(56)51-35-34-45(40-61(51)70)71-44-19-16-18-43(39-44)66-41-67(58-31-15-14-30-57(58)66)63-59(68-52-25-9-4-20-46(52)47-21-5-10-26-53(47)68)32-17-33-60(63)69-54-27-11-6-22-48(54)49-23-7-12-28-55(49)69;/h4-38,41H,1-3H3;/q-3;.

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

9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[2,6-di(carbazol-9-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum has a molecular weight of 1109.18 g/mol, XLogP of 16.47, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[2,6-di(carbazol-9-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 153490575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).