1-(3H-dibenzofuran-3-id-4-yl)-3-methyl-2H-imidazol-2-ide;1-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-2H-imidazol-2-ide;4-hydroxypent-3-en-2-one;tetrakis(iridium);2-phenylpyridine;platinum;2-(3H-thiophen-3-id-2-yl)pyridine;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine

C71H55F3Ir4N7O3PtS-7 — CID 159186733

IUPAC1-(3H-dibenzofuran-3-id-4-yl)-3-methyl-2H-imidazol-2-ide;1-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-2H-imidazol-2-ide;4-hydroxypent-3-en-2-one;tetrakis(iridium);2-phenylpyridine;platinum;2-(3H-thiophen-3-id-2-yl)pyridine;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine
SMILESCC(=O)C=C(C)O.CC1(C)c2ccccc2-c2c[c-]c(-n3[c-]ncc3)cc21.CN1C=CN(c2[c-]ccc3c2oc2ccccc23)[CH-]1.FC(F)(F)c1c[c-]c(-c2ccccn2)cc1.[Ir].[Ir].[Ir].[Ir].[Pt].[c-]1ccccc1-c1ccccn1.[c-]1ccsc1-c1ccccn1
InChIInChI=1S/C18H14N2.C16H12N2O.C12H7F3N.C11H8N.C9H6NS.C5H8O2.4Ir.Pt/c1-18(2)16-6-4-3-5-14(16)15-8-7-13(11-17(15)18)20-10-9-19-12-20;1-17-9-10-18(11-17)14-7-4-6-13-12-5-2-3-8-15(12)19-16(13)14;13-12(14,15)10-6-4-9(5-7-10)11-3-1-2-8-16-11;1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-2-6-10-8(4-1)9-5-3-7-11-9;1-4(6)3-5(2)7;;;;;/h3-6,8-11H,1-2H3;2-6,8-11H,1H3;1-4,6-8H;1-6,8-9H;1-4,6-7H;3,6H,1-2H3;;;;;/q2*-2;3*-1;;;;;;
InChIKeyCNBBJQQGZITEPL-UHFFFAOYSA-N
MW2107.27 g/mol
LogP17.26
Rot. Bonds6

About 1-(3H-dibenzofuran-3-id-4-yl)-3-methyl-2H-imidazol-2-ide;1-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-2H-imidazol-2-ide;4-hydroxypent-3-en-2-one;tetrakis(iridium);2-phenylpyridine;platinum;2-(3H-thiophen-3-id-2-yl)pyridine;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine

1-(3H-dibenzofuran-3-id-4-yl)-3-methyl-2H-imidazol-2-ide;1-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-2H-imidazol-2-ide;4-hydroxypent-3-en-2-one;tetrakis(iridium);2-phenylpyridine;platinum;2-(3H-thiophen-3-id-2-yl)pyridine;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine (PubChem CID 159186733) has the molecular formula C71H55F3Ir4N7O3PtS-7 and a molecular weight of 2107.27 g/mol. Its IUPAC name is 1-(3H-dibenzofuran-3-id-4-yl)-3-methyl-2H-imidazol-2-ide;1-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-2H-imidazol-2-ide;4-hydroxypent-3-en-2-one;tetrakis(iridium);2-phenylpyridine;platinum;2-(3H-thiophen-3-id-2-yl)pyridine;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine.

Molecular Properties

Compound Name1-(3H-dibenzofuran-3-id-4-yl)-3-methyl-2H-imidazol-2-ide;1-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-2H-imidazol-2-ide;4-hydroxypent-3-en-2-one;tetrakis(iridium);2-phenylpyridine;platinum;2-(3H-thiophen-3-id-2-yl)pyridine;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine
PubChem CID159186733
Molecular FormulaC71H55F3Ir4N7O3PtS-7
Molecular Weight2107.27 g/mol
Exact Mass2109.22
IUPAC Name1-(3H-dibenzofuran-3-id-4-yl)-3-methyl-2H-imidazol-2-ide;1-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-2H-imidazol-2-ide;4-hydroxypent-3-en-2-one;tetrakis(iridium);2-phenylpyridine;platinum;2-(3H-thiophen-3-id-2-yl)pyridine;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine
SMILESCC(=O)C=C(C)O.CC1(C)c2ccccc2-c2c[c-]c(-n3[c-]ncc3)cc21.CN1C=CN(c2[c-]ccc3c2oc2ccccc23)[CH-]1.FC(F)(F)c1c[c-]c(-c2ccccn2)cc1.[Ir].[Ir].[Ir].[Ir].[Pt].[c-]1ccccc1-c1ccccn1.[c-]1ccsc1-c1ccccn1
InChIInChI=1S/C18H14N2.C16H12N2O.C12H7F3N.C11H8N.C9H6NS.C5H8O2.4Ir.Pt/c1-18(2)16-6-4-3-5-14(16)15-8-7-13(11-17(15)18)20-10-9-19-12-20;1-17-9-10-18(11-17)14-7-4-6-13-12-5-2-3-8-15(12)19-16(13)14;13-12(14,15)10-6-4-9(5-7-10)11-3-1-2-8-16-11;1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-2-6-10-8(4-1)9-5-3-7-11-9;1-4(6)3-5(2)7;;;;;/h3-6,8-11H,1-2H3;2-6,8-11H,1H3;1-4,6-8H;1-6,8-9H;1-4,6-7H;3,6H,1-2H3;;;;;/q2*-2;3*-1;;;;;;
InChIKeyCNBBJQQGZITEPL-UHFFFAOYSA-N
XLogP17.26
TPSA113.41 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms90
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002107.27
LogP ≤ 517.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3H-dibenzofuran-3-id-4-yl)-3-methyl-2H-imidazol-2-ide;1-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-2H-imidazol-2-ide;4-hydroxypent-3-en-2-one;tetrakis(iridium);2-phenylpyridine;platinum;2-(3H-thiophen-3-id-2-yl)pyridine;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine?
The IUPAC name of 1-(3H-dibenzofuran-3-id-4-yl)-3-methyl-2H-imidazol-2-ide;1-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-2H-imidazol-2-ide;4-hydroxypent-3-en-2-one;tetrakis(iridium);2-phenylpyridine;platinum;2-(3H-thiophen-3-id-2-yl)pyridine;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine (CID 159186733) is 1-(3H-dibenzofuran-3-id-4-yl)-3-methyl-2H-imidazol-2-ide;1-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-2H-imidazol-2-ide;4-hydroxypent-3-en-2-one;tetrakis(iridium);2-phenylpyridine;platinum;2-(3H-thiophen-3-id-2-yl)pyridine;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine.
What is the SMILES notation for 1-(3H-dibenzofuran-3-id-4-yl)-3-methyl-2H-imidazol-2-ide;1-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-2H-imidazol-2-ide;4-hydroxypent-3-en-2-one;tetrakis(iridium);2-phenylpyridine;platinum;2-(3H-thiophen-3-id-2-yl)pyridine;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine?
The canonical SMILES for 1-(3H-dibenzofuran-3-id-4-yl)-3-methyl-2H-imidazol-2-ide;1-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-2H-imidazol-2-ide;4-hydroxypent-3-en-2-one;tetrakis(iridium);2-phenylpyridine;platinum;2-(3H-thiophen-3-id-2-yl)pyridine;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine is CC(=O)C=C(C)O.CC1(C)c2ccccc2-c2c[c-]c(-n3[c-]ncc3)cc21.CN1C=CN(c2[c-]ccc3c2oc2ccccc23)[CH-]1.FC(F)(F)c1c[c-]c(-c2ccccn2)cc1.[Ir].[Ir].[Ir].[Ir].[Pt].[c-]1ccccc1-c1ccccn1.[c-]1ccsc1-c1ccccn1.
What is the InChIKey of 1-(3H-dibenzofuran-3-id-4-yl)-3-methyl-2H-imidazol-2-ide;1-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-2H-imidazol-2-ide;4-hydroxypent-3-en-2-one;tetrakis(iridium);2-phenylpyridine;platinum;2-(3H-thiophen-3-id-2-yl)pyridine;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine?
The InChIKey is CNBBJQQGZITEPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2.C16H12N2O.C12H7F3N.C11H8N.C9H6NS.C5H8O2.4Ir.Pt/c1-18(2)16-6-4-3-5-14(16)15-8-7-13(11-17(15)18)20-10-9-19-12-20;1-17-9-10-18(11-17)14-7-4-6-13-12-5-2-3-8-15(12)19-16(13)14;13-12(14,15)10-6-4-9(5-7-10)11-3-1-2-8-16-11;1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-2-6-10-8(4-1)9-5-3-7-11-9;1-4(6)3-5(2)7;;;;;/h3-6,8-11H,1-2H3;2-6,8-11H,1H3;1-4,6-8H;1-6,8-9H;1-4,6-7H;3,6H,1-2H3;;;;;/q2*-2;3*-1;;;;;;.
What are the key properties of 1-(3H-dibenzofuran-3-id-4-yl)-3-methyl-2H-imidazol-2-ide;1-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-2H-imidazol-2-ide;4-hydroxypent-3-en-2-one;tetrakis(iridium);2-phenylpyridine;platinum;2-(3H-thiophen-3-id-2-yl)pyridine;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine?
1-(3H-dibenzofuran-3-id-4-yl)-3-methyl-2H-imidazol-2-ide;1-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-2H-imidazol-2-ide;4-hydroxypent-3-en-2-one;tetrakis(iridium);2-phenylpyridine;platinum;2-(3H-thiophen-3-id-2-yl)pyridine;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine has a molecular weight of 2107.27 g/mol, XLogP of 17.26, 6 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3H-dibenzofuran-3-id-4-yl)-3-methyl-2H-imidazol-2-ide;1-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-2H-imidazol-2-ide;4-hydroxypent-3-en-2-one;tetrakis(iridium);2-phenylpyridine;platinum;2-(3H-thiophen-3-id-2-yl)pyridine;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine is sourced from PubChem (CID 159186733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).