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

C53H31F3N4OPt+2 — CID 164731773

IUPAC1-(2,6-diphenylphenyl)-3-[3-[[9-[4-(trifluoromethyl)-2-pyridinyl]-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]benzo[e]benzimidazole-1,3-diium;platinum(2+)
SMILESFC(F)(F)c1ccnc(-n2c3[c-]c(Oc4[c-]c([N+]5=C=[N+](c6c(-c7ccccc7)cccc6-c6ccccc6)c6c5ccc5ccccc65)ccc4)ccc3c3ccccc32)c1.[Pt+2]
InChIInChI=1S/C53H31F3N4O.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;/h1-31H;/q;+2
InChIKeyPDJMPRUFKANKEU-UHFFFAOYSA-N
MW991.93 g/mol
LogP13.93
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]benzo[e]benzimidazole-1,3-diium;platinum(2+)

1-(2,6-diphenylphenyl)-3-[3-[[9-[4-(trifluoromethyl)-2-pyridinyl]-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]benzo[e]benzimidazole-1,3-diium;platinum(2+) (PubChem CID 164731773) has the molecular formula C53H31F3N4OPt+2 and a molecular weight of 991.93 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]benzo[e]benzimidazole-1,3-diium;platinum(2+).

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]benzo[e]benzimidazole-1,3-diium;platinum(2+)
PubChem CID164731773
Molecular FormulaC53H31F3N4OPt+2
Molecular Weight991.93 g/mol
Exact Mass991.21
IUPAC Name1-(2,6-diphenylphenyl)-3-[3-[[9-[4-(trifluoromethyl)-2-pyridinyl]-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]benzo[e]benzimidazole-1,3-diium;platinum(2+)
SMILESFC(F)(F)c1ccnc(-n2c3[c-]c(Oc4[c-]c([N+]5=C=[N+](c6c(-c7ccccc7)cccc6-c6ccccc6)c6c5ccc5ccccc65)ccc4)ccc3c3ccccc32)c1.[Pt+2]
InChIInChI=1S/C53H31F3N4O.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;/h1-31H;/q;+2
InChIKeyPDJMPRUFKANKEU-UHFFFAOYSA-N
XLogP13.93
TPSA33.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500991.93
LogP ≤ 513.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', '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]benzo[e]benzimidazole-1,3-diium;platinum(2+)?
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]benzo[e]benzimidazole-1,3-diium;platinum(2+) (CID 164731773) is 1-(2,6-diphenylphenyl)-3-[3-[[9-[4-(trifluoromethyl)-2-pyridinyl]-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]benzo[e]benzimidazole-1,3-diium;platinum(2+).
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]benzo[e]benzimidazole-1,3-diium;platinum(2+)?
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]benzo[e]benzimidazole-1,3-diium;platinum(2+) is FC(F)(F)c1ccnc(-n2c3[c-]c(Oc4[c-]c([N+]5=C=[N+](c6c(-c7ccccc7)cccc6-c6ccccc6)c6c5ccc5ccccc65)ccc4)ccc3c3ccccc32)c1.[Pt+2].
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]benzo[e]benzimidazole-1,3-diium;platinum(2+)?
The InChIKey is PDJMPRUFKANKEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H31F3N4O.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;/h1-31H;/q;+2.
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]benzo[e]benzimidazole-1,3-diium;platinum(2+)?
1-(2,6-diphenylphenyl)-3-[3-[[9-[4-(trifluoromethyl)-2-pyridinyl]-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]benzo[e]benzimidazole-1,3-diium;platinum(2+) has a molecular weight of 991.93 g/mol, XLogP of 13.93, 7 rotatable bonds, 0 hydrogen bond donors, and 3 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]benzo[e]benzimidazole-1,3-diium;platinum(2+) is sourced from PubChem (CID 164731773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).