9-(4-tert-butyl-2-pyridinyl)-7-[5-[1-(2,6-diphenylphenyl)imidazol-4-yl]-2-fluorobenzene-6-id-1-yl]oxy-8H-carbazol-8-ide-3-carbonitrile;platinum(2+)

C49H34FN5OPt — CID 155636291

About 9-(4-tert-butyl-2-pyridinyl)-7-[5-[1-(2,6-diphenylphenyl)imidazol-4-yl]-2-fluorobenzene-6-id-1-yl]oxy-8H-carbazol-8-ide-3-carbonitrile;platinum(2+)

9-(4-tert-butyl-2-pyridinyl)-7-[5-[1-(2,6-diphenylphenyl)imidazol-4-yl]-2-fluorobenzene-6-id-1-yl]oxy-8H-carbazol-8-ide-3-carbonitrile;platinum(2+) (PubChem CID 155636291) has the molecular formula C49H34FN5OPt and a molecular weight of 922.92 g/mol. Its IUPAC name is 9-(4-tert-butyl-2-pyridinyl)-7-[5-[1-(2,6-diphenylphenyl)imidazol-4-yl]-2-fluorobenzene-6-id-1-yl]oxy-8H-carbazol-8-ide-3-carbonitrile;platinum(2+).

Molecular Properties

• Compound Name: 9-(4-tert-butyl-2-pyridinyl)-7-[5-[1-(2,6-diphenylphenyl)imidazol-4-yl]-2-fluorobenzene-6-id-1-yl]oxy-8H-carbazol-8-ide-3-carbonitrile;platinum(2+)
• PubChem CID: 155636291
• Molecular Formula: C49H34FN5OPt
• Molecular Weight: 922.92 g/mol
• Exact Mass: 922.24
• IUPAC Name: 9-(4-tert-butyl-2-pyridinyl)-7-[5-[1-(2,6-diphenylphenyl)imidazol-4-yl]-2-fluorobenzene-6-id-1-yl]oxy-8H-carbazol-8-ide-3-carbonitrile;platinum(2+)
• SMILES: CC(C)(C)c1ccnc(-n2c3[c-]c(Oc4[c-]c(-c5cn(-c6c(-c7ccccc7)cccc6-c6ccccc6)cn5)ccc4F)ccc3c3cc(C#N)ccc32)c1.[Pt+2]
• InChI: InChI=1S/C49H34FN5O.Pt/c1-49(2,3)36-23-24-52-47(27-36)55-44-22-17-32(29-51)25-41(44)40-20-19-37(28-45(40)55)56-46-26-35(18-21-42(46)50)43-30-54(31-53-43)48-38(33-11-6-4-7-12-33)15-10-16-39(48)34-13-8-5-9-14-34;/h4-25,27,30-31H,1-3H3;/q-2;+2
• InChIKey: YQDYTGMWPNPBOR-UHFFFAOYSA-N
• XLogP: 12.06
• TPSA: 68.66 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	922.92
LogP ≤ 5	12.06
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

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)-7-[5-[1-(2,6-diphenylphenyl)imidazol-4-yl]-2-fluorobenzene-6-id-1-yl]oxy-8H-carbazol-8-ide-3-carbonitrile;platinum(2+)?

The IUPAC name of 9-(4-tert-butyl-2-pyridinyl)-7-[5-[1-(2,6-diphenylphenyl)imidazol-4-yl]-2-fluorobenzene-6-id-1-yl]oxy-8H-carbazol-8-ide-3-carbonitrile;platinum(2+) (CID 155636291) is 9-(4-tert-butyl-2-pyridinyl)-7-[5-[1-(2,6-diphenylphenyl)imidazol-4-yl]-2-fluorobenzene-6-id-1-yl]oxy-8H-carbazol-8-ide-3-carbonitrile;platinum(2+).

What is the SMILES notation for 9-(4-tert-butyl-2-pyridinyl)-7-[5-[1-(2,6-diphenylphenyl)imidazol-4-yl]-2-fluorobenzene-6-id-1-yl]oxy-8H-carbazol-8-ide-3-carbonitrile;platinum(2+)?

The canonical SMILES for 9-(4-tert-butyl-2-pyridinyl)-7-[5-[1-(2,6-diphenylphenyl)imidazol-4-yl]-2-fluorobenzene-6-id-1-yl]oxy-8H-carbazol-8-ide-3-carbonitrile;platinum(2+) is CC(C)(C)c1ccnc(-n2c3[c-]c(Oc4[c-]c(-c5cn(-c6c(-c7ccccc7)cccc6-c6ccccc6)cn5)ccc4F)ccc3c3cc(C#N)ccc32)c1.[Pt+2].

What is the InChIKey of 9-(4-tert-butyl-2-pyridinyl)-7-[5-[1-(2,6-diphenylphenyl)imidazol-4-yl]-2-fluorobenzene-6-id-1-yl]oxy-8H-carbazol-8-ide-3-carbonitrile;platinum(2+)?

The InChIKey is YQDYTGMWPNPBOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H34FN5O.Pt/c1-49(2,3)36-23-24-52-47(27-36)55-44-22-17-32(29-51)25-41(44)40-20-19-37(28-45(40)55)56-46-26-35(18-21-42(46)50)43-30-54(31-53-43)48-38(33-11-6-4-7-12-33)15-10-16-39(48)34-13-8-5-9-14-34;/h4-25,27,30-31H,1-3H3;/q-2;+2.

What are the key properties of 9-(4-tert-butyl-2-pyridinyl)-7-[5-[1-(2,6-diphenylphenyl)imidazol-4-yl]-2-fluorobenzene-6-id-1-yl]oxy-8H-carbazol-8-ide-3-carbonitrile;platinum(2+)?

9-(4-tert-butyl-2-pyridinyl)-7-[5-[1-(2,6-diphenylphenyl)imidazol-4-yl]-2-fluorobenzene-6-id-1-yl]oxy-8H-carbazol-8-ide-3-carbonitrile;platinum(2+) has a molecular weight of 922.92 g/mol, XLogP of 12.06, 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)-7-[5-[1-(2,6-diphenylphenyl)imidazol-4-yl]-2-fluorobenzene-6-id-1-yl]oxy-8H-carbazol-8-ide-3-carbonitrile;platinum(2+) is sourced from PubChem (CID 155636291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).