9-[5-[2,6-di(carbazol-9-yl)phenyl]-4-(trifluoromethyl)-2-pyridinyl]-2-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum

C62H38F3N6OPt-3 — CID 169289006

IUPAC9-[5-[2,6-di(carbazol-9-yl)phenyl]-4-(trifluoromethyl)-2-pyridinyl]-2-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum
SMILESCN1[CH-]N(c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3cc(C(F)(F)F)c(-c4c(-n5c6ccccc6c6ccccc65)cccc4-n4c5ccccc5c5ccccc54)cn3)ccc2)c2ccccc21.[Pt]
InChIInChI=1S/C62H38F3N6O.Pt/c1-67-38-68(56-29-13-12-28-55(56)67)39-16-14-17-40(34-39)72-41-32-33-47-46-22-6-11-27-54(46)71(59(47)35-41)60-36-49(62(63,64)65)48(37-66-60)61-57(69-50-23-7-2-18-42(50)43-19-3-8-24-51(43)69)30-15-31-58(61)70-52-25-9-4-20-44(52)45-21-5-10-26-53(45)70;/h2-33,36-38H,1H3;/q-3;
InChIKeyRVCCDNCODPBQCP-UHFFFAOYSA-N
MW1135.10 g/mol
LogP16.16
Rot. Bonds7

About 9-[5-[2,6-di(carbazol-9-yl)phenyl]-4-(trifluoromethyl)-2-pyridinyl]-2-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum

9-[5-[2,6-di(carbazol-9-yl)phenyl]-4-(trifluoromethyl)-2-pyridinyl]-2-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum (PubChem CID 169289006) has the molecular formula C62H38F3N6OPt-3 and a molecular weight of 1135.10 g/mol. Its IUPAC name is 9-[5-[2,6-di(carbazol-9-yl)phenyl]-4-(trifluoromethyl)-2-pyridinyl]-2-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum.

Molecular Properties

Compound Name9-[5-[2,6-di(carbazol-9-yl)phenyl]-4-(trifluoromethyl)-2-pyridinyl]-2-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum
PubChem CID169289006
Molecular FormulaC62H38F3N6OPt-3
Molecular Weight1135.10 g/mol
Exact Mass1134.27
IUPAC Name9-[5-[2,6-di(carbazol-9-yl)phenyl]-4-(trifluoromethyl)-2-pyridinyl]-2-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum
SMILESCN1[CH-]N(c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3cc(C(F)(F)F)c(-c4c(-n5c6ccccc6c6ccccc65)cccc4-n4c5ccccc5c5ccccc54)cn3)ccc2)c2ccccc21.[Pt]
InChIInChI=1S/C62H38F3N6O.Pt/c1-67-38-68(56-29-13-12-28-55(56)67)39-16-14-17-40(34-39)72-41-32-33-47-46-22-6-11-27-54(46)71(59(47)35-41)60-36-49(62(63,64)65)48(37-66-60)61-57(69-50-23-7-2-18-42(50)43-19-3-8-24-51(43)69)30-15-31-58(61)70-52-25-9-4-20-44(52)45-21-5-10-26-53(45)70;/h2-33,36-38H,1H3;/q-3;
InChIKeyRVCCDNCODPBQCP-UHFFFAOYSA-N
XLogP16.16
TPSA43.39 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001135.10
LogP ≤ 516.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-[4-(trifluoromethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+)
CID 140742611
2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-9-[5-(trifluoromethyl)pyrimidin-2-yl]-1,8-dihydrocarbazole-1,8-diide;bis(platinum(2+))
CID 145760911
9-[4-[3,5-Bis(trifluoromethyl)phenyl]-5-[2,7-di(carbazol-9-yl)carbazol-9-yl]pyridin-2-yl]-2,7-di(carbazol-9-yl)carbazole
CID 146393817
5-Methyl-12-[5-(5-methylindolo[3,2-c]carbazol-12-yl)-4-[3-methyl-5-(trifluoromethyl)phenyl]-2-pyridinyl]indolo[3,2-c]carbazole
CID 146393954
12-[4-[3-Methyl-5-(trifluoromethyl)phenyl]-5-(5-phenylindolo[3,2-c]carbazol-12-yl)-2-pyridinyl]-5-phenylindolo[3,2-c]carbazole
CID 146393961
2-[3-[4-[2,6-bis(trifluoromethyl)phenyl]pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)
CID 153412849
2-[3-[4-[2,6-bis(trifluoromethyl)phenyl]pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)
CID 153413219
2-[3-[4-[2,6-bis(trifluoromethyl)phenyl]pyrazol-1-yl]-5-fluorobenzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)
CID 153414847
2-[3-tert-butyl-5-[4-(3,5-ditert-butylphenyl)-5-(2-methylpropyl)-3-propan-2-ylpyrazol-1-yl]benzene-6-id-1-yl]oxy-9-[4-(trifluoromethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+)
CID 153415051
2-[3-tert-butyl-5-[3,5-ditert-butyl-4-(4-tert-butylphenyl)pyrazol-1-yl]benzene-6-id-1-yl]oxy-9-[4-(trifluoromethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+)
CID 153415218
2-[3-[4-(4-tert-butylphenyl)-3,5-diphenylpyrazol-1-yl]benzene-2-id-1-yl]oxy-9-[4-(trifluoromethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+)
CID 153415259
2-[3-tert-butyl-5-[4-(4-tert-butylphenyl)-5-(2-methylbutan-2-yl)-3-propan-2-ylpyrazol-1-yl]benzene-6-id-1-yl]oxy-9-[4-(trifluoromethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+)
CID 153415275

Frequently Asked Questions

What is the IUPAC name of 9-[5-[2,6-di(carbazol-9-yl)phenyl]-4-(trifluoromethyl)-2-pyridinyl]-2-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum?
The IUPAC name of 9-[5-[2,6-di(carbazol-9-yl)phenyl]-4-(trifluoromethyl)-2-pyridinyl]-2-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum (CID 169289006) is 9-[5-[2,6-di(carbazol-9-yl)phenyl]-4-(trifluoromethyl)-2-pyridinyl]-2-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum.
What is the SMILES notation for 9-[5-[2,6-di(carbazol-9-yl)phenyl]-4-(trifluoromethyl)-2-pyridinyl]-2-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum?
The canonical SMILES for 9-[5-[2,6-di(carbazol-9-yl)phenyl]-4-(trifluoromethyl)-2-pyridinyl]-2-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum is CN1[CH-]N(c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3cc(C(F)(F)F)c(-c4c(-n5c6ccccc6c6ccccc65)cccc4-n4c5ccccc5c5ccccc54)cn3)ccc2)c2ccccc21.[Pt].
What is the InChIKey of 9-[5-[2,6-di(carbazol-9-yl)phenyl]-4-(trifluoromethyl)-2-pyridinyl]-2-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum?
The InChIKey is RVCCDNCODPBQCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H38F3N6O.Pt/c1-67-38-68(56-29-13-12-28-55(56)67)39-16-14-17-40(34-39)72-41-32-33-47-46-22-6-11-27-54(46)71(59(47)35-41)60-36-49(62(63,64)65)48(37-66-60)61-57(69-50-23-7-2-18-42(50)43-19-3-8-24-51(43)69)30-15-31-58(61)70-52-25-9-4-20-44(52)45-21-5-10-26-53(45)70;/h2-33,36-38H,1H3;/q-3;.
What are the key properties of 9-[5-[2,6-di(carbazol-9-yl)phenyl]-4-(trifluoromethyl)-2-pyridinyl]-2-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum?
9-[5-[2,6-di(carbazol-9-yl)phenyl]-4-(trifluoromethyl)-2-pyridinyl]-2-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum has a molecular weight of 1135.10 g/mol, XLogP of 16.16, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[5-[2,6-di(carbazol-9-yl)phenyl]-4-(trifluoromethyl)-2-pyridinyl]-2-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 169289006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).