9-phenyl-3-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-1-[3-[3-(2,4,6-trimethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-2H-carbazol-2-ide;platinum(2+)

C52H41N5OPt — CID 176782265

IUPAC9-phenyl-3-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-1-[3-[3-(2,4,6-trimethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-2H-carbazol-2-ide;platinum(2+)
SMILESCc1cc(C)c(-c2ccn(-c3[c-]c(Oc4[c-]c(-c5nc6ccccc6n5-c5c(C)cc(C)cc5C)cc5c6ccccc6n(-c6ccccc6)c45)ccc3)n2)c(C)c1.[Pt+2]
InChIInChI=1S/C52H41N5O.Pt/c1-32-25-34(3)49(35(4)26-32)45-23-24-55(54-45)40-17-14-18-41(31-40)58-48-30-38(29-43-42-19-10-12-21-46(42)56(51(43)48)39-15-8-7-9-16-39)52-53-44-20-11-13-22-47(44)57(52)50-36(5)27-33(2)28-37(50)6;/h7-29H,1-6H3;/q-2;+2
InChIKeyQIALJFXITSHYJD-UHFFFAOYSA-N
MW947.01 g/mol
LogP12.88
Rot. Bonds7

About 9-phenyl-3-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-1-[3-[3-(2,4,6-trimethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-2H-carbazol-2-ide;platinum(2+)

9-phenyl-3-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-1-[3-[3-(2,4,6-trimethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-2H-carbazol-2-ide;platinum(2+) (PubChem CID 176782265) has the molecular formula C52H41N5OPt and a molecular weight of 947.01 g/mol. Its IUPAC name is 9-phenyl-3-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-1-[3-[3-(2,4,6-trimethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-2H-carbazol-2-ide;platinum(2+).

Molecular Properties

Compound Name9-phenyl-3-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-1-[3-[3-(2,4,6-trimethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-2H-carbazol-2-ide;platinum(2+)
PubChem CID176782265
Molecular FormulaC52H41N5OPt
Molecular Weight947.01 g/mol
Exact Mass946.30
IUPAC Name9-phenyl-3-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-1-[3-[3-(2,4,6-trimethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-2H-carbazol-2-ide;platinum(2+)
SMILESCc1cc(C)c(-c2ccn(-c3[c-]c(Oc4[c-]c(-c5nc6ccccc6n5-c5c(C)cc(C)cc5C)cc5c6ccccc6n(-c6ccccc6)c45)ccc3)n2)c(C)c1.[Pt+2]
InChIInChI=1S/C52H41N5O.Pt/c1-32-25-34(3)49(35(4)26-32)45-23-24-55(54-45)40-17-14-18-41(31-40)58-48-30-38(29-43-42-19-10-12-21-46(42)56(51(43)48)39-15-8-7-9-16-39)52-53-44-20-11-13-22-47(44)57(52)50-36(5)27-33(2)28-37(50)6;/h7-29H,1-6H3;/q-2;+2
InChIKeyQIALJFXITSHYJD-UHFFFAOYSA-N
XLogP12.88
TPSA49.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500947.01
LogP ≤ 512.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[1-[4-(hexan-3-yloxymethyl)-2,6-dimethylphenyl]imidazol-2-yl]-9-phenyl-2H-carbazol-2-ide;iridium;9-phenyl-3-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-2H-carbazol-2-ide
CID 57894941
iridium(3+);bis(2-(4-methoxy-2H-naphthalen-2-id-1-yl)benzotriazole);2-pyridin-2-ylbenzimidazol-1-ide
CID 59307545
CID 140687864
CID 140687864
7-[[9-methyl-2-(3-methylimidazole-1,3-diium-1-yl)-3H-carbazol-3-id-4-yl]oxy]-2-[[5-methyl-8-(3-methylimidazole-1,3-diium-1-yl)-9H-pyrido[1,2-b]indazol-6-ium-9-id-10-yl]oxy]-5,10-dipyridin-2-yl-1,6-dihydroindolo[3,2-b]indole-1,6-diide;bis(platinum(2+))
CID 154592440
tetrakis(iridium);1-methyl-3-(3-phenylbenzene-6-id-1-yl)-2H-benzimidazol-2-ide;1-methyl-2-phenylimidazole;2-[4-(2-methylprop-2-enoxy)benzene-6-id-1-yl]-1-(2,4,6-trimethylphenyl)imidazole;1-methyl-2-(4-prop-2-enylbenzene-6-id-1-yl)imidazole;1-methyl-3-[3-(4-prop-2-enylphenyl)benzene-6-id-1-yl]-2H-benzimidazol-2-ide;4-phenyl-1-(4-prop-2-enylbenzene-6-id-1-yl)pyrazole;2-phenyl-1-(2,4,6-trimethylphenyl)imidazole
CID 158192966
Iridium(3+);1-phenylpyrazole;1-(2,4,6-trimethylphenyl)-2-[4-[[3-[[4-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]benzene-5-id-1-yl]oxymethyl]phenyl]methoxy]benzene-6-id-1-yl]imidazole
CID 158228680
2-(2,4-difluorobenzene-6-id-1-yl)-4-naphthalen-1-yl-1-(2,4,6-trimethylphenyl)imidazole;1-(2,6-dimethylphenyl)-2-(4-methoxybenzene-6-id-1-yl)-4-naphthalen-2-ylimidazole;tetrakis(iridium);8-(3-methoxyphenyl)-9H-pyrazolo[1,5-a]quinolin-9-ide;4-(3-methylphenyl)-5-phenyl-2-phenyl-1-(2,4,6-trimethylphenyl)imidazole
CID 158238361
9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole;1-methyl-2-[3-(3-pyrazol-1-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]imidazole;platinum(2+);6-N,6-N,12-N,12-N-tetraphenylchrysene-6,12-diamine
CID 158391537
3-[1-(2,6-dimethyl-4-octylphenyl)imidazol-2-yl]-9-phenyl-2H-carbazol-2-ide;3-[1-[4-(3-ethylhexyl)-2,6-dimethylphenyl]imidazol-2-yl]-9-(2-methylphenyl)-2H-carbazol-2-ide;3-[1-[4-(hexan-3-yloxymethyl)-2,6-dimethylphenyl]imidazol-2-yl]-9-phenyl-2H-carbazol-2-ide;tris(iridium);9-(2-methylphenyl)-3-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-2H-carbazol-2-ide;bis(9-phenyl-3-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-2H-carbazol-2-ide)
CID 158475657
CID 159874334
CID 159874334
tetrakis(iridium);1-methyl-3-(3-phenylbenzene-6-id-1-yl)-2H-benzimidazol-2-ide;1-methyl-2-phenylimidazole;2-[4-(2-methylprop-2-enoxy)benzene-6-id-1-yl]-1-(2,4,6-trimethylphenyl)imidazole;1-methyl-2-(4-prop-2-enylbenzene-6-id-1-yl)imidazole;3-methyl-1-[3-(4-prop-2-enylphenyl)benzene-6-id-1-yl]-3H-indazol-2-ide;4-phenyl-1-(4-prop-2-enylbenzene-6-id-1-yl)pyrazole;2-phenyl-1-(2,4,6-trimethylphenyl)imidazole
CID 160998535
3-[1-(2,6-dimethyl-4-octylphenyl)imidazol-2-yl]-9-phenyl-2H-carbazol-2-ide;3-[1-[4-(3-ethylhexyl)-2,6-dimethylphenyl]imidazol-2-yl]-9-(2-methylphenyl)-2H-carbazol-2-ide;3-[1-[4-[3-(2-ethylhexyl)phenyl]phenyl]imidazol-2-yl]-9-phenyl-2H-carbazol-2-ide;3-[1-[4-(hexan-3-yloxymethyl)-2,6-dimethylphenyl]imidazol-2-yl]-9-phenyl-2H-carbazol-2-ide;tetrakis(iridium);9-(2-methylphenyl)-3-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-2H-carbazol-2-ide;9-phenyl-3-[1-(4-phenylphenyl)imidazol-2-yl]-2H-carbazol-2-ide;bis(9-phenyl-3-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-2H-carbazol-2-ide)
CID 162099528

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-3-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-1-[3-[3-(2,4,6-trimethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-2H-carbazol-2-ide;platinum(2+)?
The IUPAC name of 9-phenyl-3-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-1-[3-[3-(2,4,6-trimethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-2H-carbazol-2-ide;platinum(2+) (CID 176782265) is 9-phenyl-3-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-1-[3-[3-(2,4,6-trimethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-2H-carbazol-2-ide;platinum(2+).
What is the SMILES notation for 9-phenyl-3-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-1-[3-[3-(2,4,6-trimethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-2H-carbazol-2-ide;platinum(2+)?
The canonical SMILES for 9-phenyl-3-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-1-[3-[3-(2,4,6-trimethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-2H-carbazol-2-ide;platinum(2+) is Cc1cc(C)c(-c2ccn(-c3[c-]c(Oc4[c-]c(-c5nc6ccccc6n5-c5c(C)cc(C)cc5C)cc5c6ccccc6n(-c6ccccc6)c45)ccc3)n2)c(C)c1.[Pt+2].
What is the InChIKey of 9-phenyl-3-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-1-[3-[3-(2,4,6-trimethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-2H-carbazol-2-ide;platinum(2+)?
The InChIKey is QIALJFXITSHYJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H41N5O.Pt/c1-32-25-34(3)49(35(4)26-32)45-23-24-55(54-45)40-17-14-18-41(31-40)58-48-30-38(29-43-42-19-10-12-21-46(42)56(51(43)48)39-15-8-7-9-16-39)52-53-44-20-11-13-22-47(44)57(52)50-36(5)27-33(2)28-37(50)6;/h7-29H,1-6H3;/q-2;+2.
What are the key properties of 9-phenyl-3-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-1-[3-[3-(2,4,6-trimethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-2H-carbazol-2-ide;platinum(2+)?
9-phenyl-3-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-1-[3-[3-(2,4,6-trimethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-2H-carbazol-2-ide;platinum(2+) has a molecular weight of 947.01 g/mol, XLogP of 12.88, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenyl-3-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-1-[3-[3-(2,4,6-trimethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-2H-carbazol-2-ide;platinum(2+) is sourced from PubChem (CID 176782265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).