1-(2,6-diphenylphenyl)-3-[3-[[9-[4-(trifluoromethyl)-2-pyridinyl]-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-2H-benzo[e]benzimidazol-2-ide;platinum

C53H32F3N4OPt-3 — CID 164731869

IUPAC1-(2,6-diphenylphenyl)-3-[3-[[9-[4-(trifluoromethyl)-2-pyridinyl]-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-2H-benzo[e]benzimidazol-2-ide;platinum
SMILESFC(F)(F)c1ccnc(-n2c3[c-]c(Oc4[c-]c(N5[CH-]N(c6c(-c7ccccc7)cccc6-c6ccccc6)c6c5ccc5ccccc65)ccc4)ccc3c3ccccc32)c1.[Pt]
InChIInChI=1S/C53H32F3N4O.Pt/c54-53(55,56)38-29-30-57-50(31-38)60-47-24-10-9-21-45(47)46-27-26-41(33-49(46)60)61-40-19-11-18-39(32-40)58-34-59(52-44-20-8-7-17-37(44)25-28-48(52)58)51-42(35-13-3-1-4-14-35)22-12-23-43(51)36-15-5-2-6-16-36;/h1-31,34H;/q-3;
InChIKeyRGFFTUYPXSSCCT-UHFFFAOYSA-N
MW992.94 g/mol
LogP14.48
Rot. Bonds7

About 1-(2,6-diphenylphenyl)-3-[3-[[9-[4-(trifluoromethyl)-2-pyridinyl]-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-2H-benzo[e]benzimidazol-2-ide;platinum

1-(2,6-diphenylphenyl)-3-[3-[[9-[4-(trifluoromethyl)-2-pyridinyl]-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-2H-benzo[e]benzimidazol-2-ide;platinum (PubChem CID 164731869) has the molecular formula C53H32F3N4OPt-3 and a molecular weight of 992.94 g/mol. Its IUPAC name is 1-(2,6-diphenylphenyl)-3-[3-[[9-[4-(trifluoromethyl)-2-pyridinyl]-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-2H-benzo[e]benzimidazol-2-ide;platinum.

Molecular Properties

Compound Name1-(2,6-diphenylphenyl)-3-[3-[[9-[4-(trifluoromethyl)-2-pyridinyl]-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-2H-benzo[e]benzimidazol-2-ide;platinum
PubChem CID164731869
Molecular FormulaC53H32F3N4OPt-3
Molecular Weight992.94 g/mol
Exact Mass992.22
IUPAC Name1-(2,6-diphenylphenyl)-3-[3-[[9-[4-(trifluoromethyl)-2-pyridinyl]-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-2H-benzo[e]benzimidazol-2-ide;platinum
SMILESFC(F)(F)c1ccnc(-n2c3[c-]c(Oc4[c-]c(N5[CH-]N(c6c(-c7ccccc7)cccc6-c6ccccc6)c6c5ccc5ccccc65)ccc4)ccc3c3ccccc32)c1.[Pt]
InChIInChI=1S/C53H32F3N4O.Pt/c54-53(55,56)38-29-30-57-50(31-38)60-47-24-10-9-21-45(47)46-27-26-41(33-49(46)60)61-40-19-11-18-39(32-40)58-34-59(52-44-20-8-7-17-37(44)25-28-48(52)58)51-42(35-13-3-1-4-14-35)22-12-23-43(51)36-15-5-2-6-16-36;/h1-31,34H;/q-3;
InChIKeyRGFFTUYPXSSCCT-UHFFFAOYSA-N
XLogP14.48
TPSA33.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500992.94
LogP ≤ 514.48
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 1-(2,6-diphenylphenyl)-3-[3-[[9-[4-(trifluoromethyl)-2-pyridinyl]-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-2H-benzo[e]benzimidazol-2-ide;platinum?
The IUPAC name of 1-(2,6-diphenylphenyl)-3-[3-[[9-[4-(trifluoromethyl)-2-pyridinyl]-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-2H-benzo[e]benzimidazol-2-ide;platinum (CID 164731869) is 1-(2,6-diphenylphenyl)-3-[3-[[9-[4-(trifluoromethyl)-2-pyridinyl]-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-2H-benzo[e]benzimidazol-2-ide;platinum.
What is the SMILES notation for 1-(2,6-diphenylphenyl)-3-[3-[[9-[4-(trifluoromethyl)-2-pyridinyl]-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-2H-benzo[e]benzimidazol-2-ide;platinum?
The canonical SMILES for 1-(2,6-diphenylphenyl)-3-[3-[[9-[4-(trifluoromethyl)-2-pyridinyl]-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-2H-benzo[e]benzimidazol-2-ide;platinum is FC(F)(F)c1ccnc(-n2c3[c-]c(Oc4[c-]c(N5[CH-]N(c6c(-c7ccccc7)cccc6-c6ccccc6)c6c5ccc5ccccc65)ccc4)ccc3c3ccccc32)c1.[Pt].
What is the InChIKey of 1-(2,6-diphenylphenyl)-3-[3-[[9-[4-(trifluoromethyl)-2-pyridinyl]-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-2H-benzo[e]benzimidazol-2-ide;platinum?
The InChIKey is RGFFTUYPXSSCCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H32F3N4O.Pt/c54-53(55,56)38-29-30-57-50(31-38)60-47-24-10-9-21-45(47)46-27-26-41(33-49(46)60)61-40-19-11-18-39(32-40)58-34-59(52-44-20-8-7-17-37(44)25-28-48(52)58)51-42(35-13-3-1-4-14-35)22-12-23-43(51)36-15-5-2-6-16-36;/h1-31,34H;/q-3;.
What are the key properties of 1-(2,6-diphenylphenyl)-3-[3-[[9-[4-(trifluoromethyl)-2-pyridinyl]-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-2H-benzo[e]benzimidazol-2-ide;platinum?
1-(2,6-diphenylphenyl)-3-[3-[[9-[4-(trifluoromethyl)-2-pyridinyl]-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-2H-benzo[e]benzimidazol-2-ide;platinum has a molecular weight of 992.94 g/mol, XLogP of 14.48, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-diphenylphenyl)-3-[3-[[9-[4-(trifluoromethyl)-2-pyridinyl]-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-2H-benzo[e]benzimidazol-2-ide;platinum is sourced from PubChem (CID 164731869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).