9-[4-(2-phenyl-2-adamantyl)-2-pyridinyl]-2-[3-[3-[4-(trifluoromethyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum

C53H40F3N4OPt-3 — CID 162696416

IUPAC9-[4-(2-phenyl-2-adamantyl)-2-pyridinyl]-2-[3-[3-[4-(trifluoromethyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum
SMILESFC(F)(F)c1ccc(N2[CH-]N(c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4cc(C5(c6ccccc6)C6CC7CC(C6)CC5C7)ccn4)ccc3)c3ccccc32)cc1.[Pt]
InChIInChI=1S/C53H40F3N4O.Pt/c54-53(55,56)37-17-19-41(20-18-37)58-33-59(49-16-7-6-15-48(49)58)42-11-8-12-43(31-42)61-44-21-22-46-45-13-4-5-14-47(45)60(50(46)32-44)51-30-38(23-24-57-51)52(36-9-2-1-3-10-36)39-26-34-25-35(28-39)29-40(52)27-34;/h1-24,30,33-35,39-40H,25-29H2;/q-3;
InChIKeyXJRFNLWMTAZMJD-UHFFFAOYSA-N
MW1001.00 g/mol
LogP13.74
Rot. Bonds7

About 9-[4-(2-phenyl-2-adamantyl)-2-pyridinyl]-2-[3-[3-[4-(trifluoromethyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum

9-[4-(2-phenyl-2-adamantyl)-2-pyridinyl]-2-[3-[3-[4-(trifluoromethyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum (PubChem CID 162696416) has the molecular formula C53H40F3N4OPt-3 and a molecular weight of 1001.00 g/mol. Its IUPAC name is 9-[4-(2-phenyl-2-adamantyl)-2-pyridinyl]-2-[3-[3-[4-(trifluoromethyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum.

Molecular Properties

Compound Name9-[4-(2-phenyl-2-adamantyl)-2-pyridinyl]-2-[3-[3-[4-(trifluoromethyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum
PubChem CID162696416
Molecular FormulaC53H40F3N4OPt-3
Molecular Weight1001.00 g/mol
Exact Mass1000.28
IUPAC Name9-[4-(2-phenyl-2-adamantyl)-2-pyridinyl]-2-[3-[3-[4-(trifluoromethyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum
SMILESFC(F)(F)c1ccc(N2[CH-]N(c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4cc(C5(c6ccccc6)C6CC7CC(C6)CC5C7)ccn4)ccc3)c3ccccc32)cc1.[Pt]
InChIInChI=1S/C53H40F3N4O.Pt/c54-53(55,56)37-17-19-41(20-18-37)58-33-59(49-16-7-6-15-48(49)58)42-11-8-12-43(31-42)61-44-21-22-46-45-13-4-5-14-47(45)60(50(46)32-44)51-30-38(23-24-57-51)52(36-9-2-1-3-10-36)39-26-34-25-35(28-39)29-40(52)27-34;/h1-24,30,33-35,39-40H,25-29H2;/q-3;
InChIKeyXJRFNLWMTAZMJD-UHFFFAOYSA-N
XLogP13.74
TPSA33.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001001.00
LogP ≤ 513.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9-[4-(2-phenyl-2-adamantyl)-2-pyridinyl]-2-[3-[3-[4-(trifluoromethyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum?
The IUPAC name of 9-[4-(2-phenyl-2-adamantyl)-2-pyridinyl]-2-[3-[3-[4-(trifluoromethyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum (CID 162696416) is 9-[4-(2-phenyl-2-adamantyl)-2-pyridinyl]-2-[3-[3-[4-(trifluoromethyl)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-(2-phenyl-2-adamantyl)-2-pyridinyl]-2-[3-[3-[4-(trifluoromethyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum?
The canonical SMILES for 9-[4-(2-phenyl-2-adamantyl)-2-pyridinyl]-2-[3-[3-[4-(trifluoromethyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum is FC(F)(F)c1ccc(N2[CH-]N(c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4cc(C5(c6ccccc6)C6CC7CC(C6)CC5C7)ccn4)ccc3)c3ccccc32)cc1.[Pt].
What is the InChIKey of 9-[4-(2-phenyl-2-adamantyl)-2-pyridinyl]-2-[3-[3-[4-(trifluoromethyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum?
The InChIKey is XJRFNLWMTAZMJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H40F3N4O.Pt/c54-53(55,56)37-17-19-41(20-18-37)58-33-59(49-16-7-6-15-48(49)58)42-11-8-12-43(31-42)61-44-21-22-46-45-13-4-5-14-47(45)60(50(46)32-44)51-30-38(23-24-57-51)52(36-9-2-1-3-10-36)39-26-34-25-35(28-39)29-40(52)27-34;/h1-24,30,33-35,39-40H,25-29H2;/q-3;.
What are the key properties of 9-[4-(2-phenyl-2-adamantyl)-2-pyridinyl]-2-[3-[3-[4-(trifluoromethyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum?
9-[4-(2-phenyl-2-adamantyl)-2-pyridinyl]-2-[3-[3-[4-(trifluoromethyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum has a molecular weight of 1001.00 g/mol, XLogP of 13.74, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(2-phenyl-2-adamantyl)-2-pyridinyl]-2-[3-[3-[4-(trifluoromethyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 162696416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).