bis(1-[2,6-di(propan-2-yl)dibenzofuran-1-yl]-2-phenylimidazole);bis(4-hydroxypent-3-en-2-one);tetrakis(iridium);1-phenylpyrazole;2-phenylpyridine;2-phenyl-1-[2,4,6,8-tetra(propan-2-yl)dibenzofuran-1-yl]imidazole;2-phenyl-1-[2,6,8-tri(propan-2-yl)dibenzofuran-1-yl]imidazole

C147H149Ir4N11O8-6 — CID 157214707

IUPACbis(1-[2,6-di(propan-2-yl)dibenzofuran-1-yl]-2-phenylimidazole);bis(4-hydroxypent-3-en-2-one);tetrakis(iridium);1-phenylpyrazole;2-phenylpyridine;2-phenyl-1-[2,4,6,8-tetra(propan-2-yl)dibenzofuran-1-yl]imidazole;2-phenyl-1-[2,6,8-tri(propan-2-yl)dibenzofuran-1-yl]imidazole
SMILESCC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(C)c1cc(C(C)C)c2oc3c(C(C)C)cc(C(C)C)c(-n4ccnc4-c4[c-]cccc4)c3c2c1.CC(C)c1cc(C(C)C)c2oc3ccc(C(C)C)c(-n4ccnc4-c4[c-]cccc4)c3c2c1.CC(C)c1ccc2oc3c(C(C)C)cccc3c2c1-n1ccnc1-c1[c-]cccc1.CC(C)c1ccc2oc3c(C(C)C)cccc3c2c1-n1ccnc1-c1[c-]cccc1.[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-n1cccn1
InChIInChI=1S/C33H37N2O.C30H31N2O.2C27H25N2O.C11H8N.C9H7N2.2C5H8O2.4Ir/c1-19(2)24-16-26(21(5)6)31-28(17-24)29-30(25(20(3)4)18-27(22(7)8)32(29)36-31)35-15-14-34-33(35)23-12-10-9-11-13-23;1-18(2)22-16-24(20(5)6)29-25(17-22)27-26(33-29)13-12-23(19(3)4)28(27)32-15-14-31-30(32)21-10-8-7-9-11-21;2*1-17(2)20-13-14-23-24(22-12-8-11-21(18(3)4)26(22)30-23)25(20)29-16-15-28-27(29)19-9-6-5-7-10-19;1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-2-5-9(6-3-1)11-8-4-7-10-11;2*1-4(6)3-5(2)7;;;;/h9-12,14-22H,1-8H3;7-10,12-20H,1-6H3;2*5-9,11-18H,1-4H3;1-6,8-9H;1-5,7-8H;2*3,6H,1-2H3;;;;/q6*-1;;;;;;
InChIKeyGYAJOGGXZQBXCR-UHFFFAOYSA-N
MW2966.75 g/mol
LogP39.60
Rot. Bonds23

About bis(1-[2,6-di(propan-2-yl)dibenzofuran-1-yl]-2-phenylimidazole);bis(4-hydroxypent-3-en-2-one);tetrakis(iridium);1-phenylpyrazole;2-phenylpyridine;2-phenyl-1-[2,4,6,8-tetra(propan-2-yl)dibenzofuran-1-yl]imidazole;2-phenyl-1-[2,6,8-tri(propan-2-yl)dibenzofuran-1-yl]imidazole

bis(1-[2,6-di(propan-2-yl)dibenzofuran-1-yl]-2-phenylimidazole);bis(4-hydroxypent-3-en-2-one);tetrakis(iridium);1-phenylpyrazole;2-phenylpyridine;2-phenyl-1-[2,4,6,8-tetra(propan-2-yl)dibenzofuran-1-yl]imidazole;2-phenyl-1-[2,6,8-tri(propan-2-yl)dibenzofuran-1-yl]imidazole (PubChem CID 157214707) has the molecular formula C147H149Ir4N11O8-6 and a molecular weight of 2966.75 g/mol. Its IUPAC name is bis(1-[2,6-di(propan-2-yl)dibenzofuran-1-yl]-2-phenylimidazole);bis(4-hydroxypent-3-en-2-one);tetrakis(iridium);1-phenylpyrazole;2-phenylpyridine;2-phenyl-1-[2,4,6,8-tetra(propan-2-yl)dibenzofuran-1-yl]imidazole;2-phenyl-1-[2,6,8-tri(propan-2-yl)dibenzofuran-1-yl]imidazole.

Molecular Properties

Compound Namebis(1-[2,6-di(propan-2-yl)dibenzofuran-1-yl]-2-phenylimidazole);bis(4-hydroxypent-3-en-2-one);tetrakis(iridium);1-phenylpyrazole;2-phenylpyridine;2-phenyl-1-[2,4,6,8-tetra(propan-2-yl)dibenzofuran-1-yl]imidazole;2-phenyl-1-[2,6,8-tri(propan-2-yl)dibenzofuran-1-yl]imidazole
PubChem CID157214707
Molecular FormulaC147H149Ir4N11O8-6
Molecular Weight2966.75 g/mol
Exact Mass2968.01
IUPAC Namebis(1-[2,6-di(propan-2-yl)dibenzofuran-1-yl]-2-phenylimidazole);bis(4-hydroxypent-3-en-2-one);tetrakis(iridium);1-phenylpyrazole;2-phenylpyridine;2-phenyl-1-[2,4,6,8-tetra(propan-2-yl)dibenzofuran-1-yl]imidazole;2-phenyl-1-[2,6,8-tri(propan-2-yl)dibenzofuran-1-yl]imidazole
SMILESCC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(C)c1cc(C(C)C)c2oc3c(C(C)C)cc(C(C)C)c(-n4ccnc4-c4[c-]cccc4)c3c2c1.CC(C)c1cc(C(C)C)c2oc3ccc(C(C)C)c(-n4ccnc4-c4[c-]cccc4)c3c2c1.CC(C)c1ccc2oc3c(C(C)C)cccc3c2c1-n1ccnc1-c1[c-]cccc1.CC(C)c1ccc2oc3c(C(C)C)cccc3c2c1-n1ccnc1-c1[c-]cccc1.[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-n1cccn1
InChIInChI=1S/C33H37N2O.C30H31N2O.2C27H25N2O.C11H8N.C9H7N2.2C5H8O2.4Ir/c1-19(2)24-16-26(21(5)6)31-28(17-24)29-30(25(20(3)4)18-27(22(7)8)32(29)36-31)35-15-14-34-33(35)23-12-10-9-11-13-23;1-18(2)22-16-24(20(5)6)29-25(17-22)27-26(33-29)13-12-23(19(3)4)28(27)32-15-14-31-30(32)21-10-8-7-9-11-21;2*1-17(2)20-13-14-23-24(22-12-8-11-21(18(3)4)26(22)30-23)25(20)29-16-15-28-27(29)19-9-6-5-7-10-19;1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-2-5-9(6-3-1)11-8-4-7-10-11;2*1-4(6)3-5(2)7;;;;/h9-12,14-22H,1-8H3;7-10,12-20H,1-6H3;2*5-9,11-18H,1-4H3;1-6,8-9H;1-5,7-8H;2*3,6H,1-2H3;;;;/q6*-1;;;;;;
InChIKeyGYAJOGGXZQBXCR-UHFFFAOYSA-N
XLogP39.60
TPSA229.15 Ų
H-Bond Donors2
H-Bond Acceptors19
Rotatable Bonds23
Heavy Atoms170
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002966.75
LogP ≤ 539.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1019

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'}

Analyze bis(1-[2,6-di(propan-2-yl)dibenzofuran-1-yl]-2-phenylimidazole);bis(4-hydroxypent-3-en-2-one);tetrakis(iridium);1-phenylpyrazole;2-phenylpyridine;2-phenyl-1-[2,4,6,8-tetra(propan-2-yl)dibenzofuran-1-yl]imidazole;2-phenyl-1-[2,6,8-tri(propan-2-yl)dibenzofuran-1-yl]imidazole with MolForge

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Related Compounds

4-dibenzofuran-3-yl-1-phenylpyrazole;bis(1,4-dimethyl-3-phenyl-5-(4-phenylphenyl)-2H-imidazol-2-ide);3-methyl-1-phenyl-4-(4-phenylphenyl)-2H-imidazol-2-ide;bis(3-methyl-5-phenylpyrazol-1-ide);2-phenylimidazol-3-ide;5-phenyl-3-(trifluoromethyl)pyrazol-1-ide;platinum;tris(platinum(4+))
CID 158024918
2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2-methylpropyl)quinoline;1-[2,4-di(propan-2-yl)dibenzofuran-1-yl]-2-phenylimidazole;1-[2,4-di(propan-2-yl)dibenzofuran-3-yl]-2-phenylimidazole;bis(1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole);4-hydroxypent-3-en-2-one;pentakis(iridium);2-methyl-8-[4-(4-propan-2-ylphenyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-methyl-8-pyridin-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-phenylpyridine;2-phenyl-5-(trifluoromethyl)pyridine
CID 158868747
7-(8-carbazol-9-yldibenzofuran-2-yl)-12H-imidazo[1,2-f]phenanthridin-12-ide;9-[3-carbazol-9-yl-5-(2-methylbutyl)phenyl]carbazole;9-[3-carbazol-9-yl-5-[4-(2-methylbutyl)phenyl]phenyl]carbazole;1,1,1,5,5,5-hexafluoro-4-hydroxy-3-[4-(2-methylbutoxy)phenyl]pent-3-en-2-one;iridium
CID 158921819
12-[3-([1]Benzofuro[3,2-a]carbazol-12-yl)-4-(2,3,4,5,6-pentafluorophenyl)-2-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-a]carbazole;methane;9-[4-(2,3,4,5,6-pentafluorophenyl)-3-(2-pyrimidin-2-ylcarbazol-9-yl)-2-(trifluoromethyl)phenyl]-2-pyrimidin-2-ylcarbazole
CID 159761729
4-[4-[3,5-Bis(pyrazolo[1,5-a]benzimidazol-4-yl)phenyl]phenyl]pyrazolo[1,5-a]benzimidazole;4-[3-[3,5-bis(pyrazolo[1,5-a]benzimidazol-4-yl)phenyl]-5-pyrazolo[1,5-a]benzimidazol-4-ylphenyl]pyrazolo[1,5-a]benzimidazole;4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-pyrazolo[1,5-a]benzimidazol-4-ylphenyl)propan-2-yl]phenyl]pyrazolo[1,5-a]benzimidazole;4-(7-pyrazolo[1,5-a]benzimidazol-4-yldibenzofuran-3-yl)pyrazolo[1,5-a]benzimidazole;2-(trifluoromethyl)-4-[4-[4-[2-(trifluoromethyl)pyrazolo[1,5-a]benzimidazol-4-yl]phenyl]phenyl]pyrazolo[1,5-a]benzimidazole
CID 159924174
2-(3H-dibenzofuran-3-id-4-yl)-1-(2,4,6-trimethylphenyl)imidazole-4-carbonitrile;1-(2,6-dimethyl-4-phenylphenyl)-2-phenylimidazole-4-carbonitrile;1-(2,6-diphenylphenyl)-2-(3-isocyanobenzene-6-id-1-yl)-4-(trifluoromethyl)imidazole;pentakis(iridium);1-(2-methyldibenzofuran-1-yl)-2-phenylimidazole-4-carbonitrile;2-(6-methyl-4H-pyridin-4-id-3-yl)-1-(2,4,6-trimethylphenyl)imidazole-4-carbonitrile
CID 159936466
2-(3H-dibenzofuran-3-id-2-yl)-1-(2,4,6-trimethylphenyl)imidazole;2-diphenylphosphaniumylethyl(diphenyl)phosphanium;9-ethyl-3-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-2H-carbazol-2-ide;2-(4-fluorobenzene-6-id-1-yl)-1-(2,4,6-trimethylphenyl)imidazole;octakis(iridium);1-phenylpyrazole;bis(2-phenyl-1-(2,4,6-trimethylphenyl)imidazole);9-phenyl-3-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-2H-carbazol-2-ide;2-phenyl-3-(2,4,6-trimethylphenyl)-3H-pyrrole;4-phenyl-1-(2,4,6-trimethylphenyl)triazole;2-[4-(trifluoromethoxy)benzene-6-id-1-yl]-1-(2,4,6-trimethylphenyl)imidazole;chloride
CID 160002248
CID 160341449
CID 160341449
CID 160843772
CID 160843772
2-(4-tert-butylphenyl)-5-[4-[4-(2-methylbutyl)phenyl]phenyl]-1,3,4-oxadiazole;7-(8-carbazol-9-yldibenzofuran-2-yl)-12H-imidazo[1,2-f]phenanthridin-12-ide;9-[3-carbazol-9-yl-5-[4-(2-methylbutyl)phenyl]phenyl]carbazole;6-[3-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]-11H-pyrazolo[1,5-f]phenanthridin-11-ide;3,5-dimethyl-4-[4-(2-methylbutoxy)phenyl]-1-phenylpyrazole;1,1,1,5,5,5-hexafluoro-4-hydroxy-3-[4-(2-methylbutoxy)phenyl]pent-3-en-2-one;platinum;platinum(2+)
CID 161101110
CID 161209560
CID 161209560
2-(3H-dibenzofuran-3-id-4-yl)-4,5-dimethylpyridine;2-dibenzofuran-4-yl-4,5-dimethylpyridine;tetrakis(1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole);bis(iridium(3+));methanol;trifluoromethanesulfonate
CID 161542561

Frequently Asked Questions

What is the IUPAC name of bis(1-[2,6-di(propan-2-yl)dibenzofuran-1-yl]-2-phenylimidazole);bis(4-hydroxypent-3-en-2-one);tetrakis(iridium);1-phenylpyrazole;2-phenylpyridine;2-phenyl-1-[2,4,6,8-tetra(propan-2-yl)dibenzofuran-1-yl]imidazole;2-phenyl-1-[2,6,8-tri(propan-2-yl)dibenzofuran-1-yl]imidazole?
The IUPAC name of bis(1-[2,6-di(propan-2-yl)dibenzofuran-1-yl]-2-phenylimidazole);bis(4-hydroxypent-3-en-2-one);tetrakis(iridium);1-phenylpyrazole;2-phenylpyridine;2-phenyl-1-[2,4,6,8-tetra(propan-2-yl)dibenzofuran-1-yl]imidazole;2-phenyl-1-[2,6,8-tri(propan-2-yl)dibenzofuran-1-yl]imidazole (CID 157214707) is bis(1-[2,6-di(propan-2-yl)dibenzofuran-1-yl]-2-phenylimidazole);bis(4-hydroxypent-3-en-2-one);tetrakis(iridium);1-phenylpyrazole;2-phenylpyridine;2-phenyl-1-[2,4,6,8-tetra(propan-2-yl)dibenzofuran-1-yl]imidazole;2-phenyl-1-[2,6,8-tri(propan-2-yl)dibenzofuran-1-yl]imidazole.
What is the SMILES notation for bis(1-[2,6-di(propan-2-yl)dibenzofuran-1-yl]-2-phenylimidazole);bis(4-hydroxypent-3-en-2-one);tetrakis(iridium);1-phenylpyrazole;2-phenylpyridine;2-phenyl-1-[2,4,6,8-tetra(propan-2-yl)dibenzofuran-1-yl]imidazole;2-phenyl-1-[2,6,8-tri(propan-2-yl)dibenzofuran-1-yl]imidazole?
The canonical SMILES for bis(1-[2,6-di(propan-2-yl)dibenzofuran-1-yl]-2-phenylimidazole);bis(4-hydroxypent-3-en-2-one);tetrakis(iridium);1-phenylpyrazole;2-phenylpyridine;2-phenyl-1-[2,4,6,8-tetra(propan-2-yl)dibenzofuran-1-yl]imidazole;2-phenyl-1-[2,6,8-tri(propan-2-yl)dibenzofuran-1-yl]imidazole is CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(C)c1cc(C(C)C)c2oc3c(C(C)C)cc(C(C)C)c(-n4ccnc4-c4[c-]cccc4)c3c2c1.CC(C)c1cc(C(C)C)c2oc3ccc(C(C)C)c(-n4ccnc4-c4[c-]cccc4)c3c2c1.CC(C)c1ccc2oc3c(C(C)C)cccc3c2c1-n1ccnc1-c1[c-]cccc1.CC(C)c1ccc2oc3c(C(C)C)cccc3c2c1-n1ccnc1-c1[c-]cccc1.[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-n1cccn1.
What is the InChIKey of bis(1-[2,6-di(propan-2-yl)dibenzofuran-1-yl]-2-phenylimidazole);bis(4-hydroxypent-3-en-2-one);tetrakis(iridium);1-phenylpyrazole;2-phenylpyridine;2-phenyl-1-[2,4,6,8-tetra(propan-2-yl)dibenzofuran-1-yl]imidazole;2-phenyl-1-[2,6,8-tri(propan-2-yl)dibenzofuran-1-yl]imidazole?
The InChIKey is GYAJOGGXZQBXCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H37N2O.C30H31N2O.2C27H25N2O.C11H8N.C9H7N2.2C5H8O2.4Ir/c1-19(2)24-16-26(21(5)6)31-28(17-24)29-30(25(20(3)4)18-27(22(7)8)32(29)36-31)35-15-14-34-33(35)23-12-10-9-11-13-23;1-18(2)22-16-24(20(5)6)29-25(17-22)27-26(33-29)13-12-23(19(3)4)28(27)32-15-14-31-30(32)21-10-8-7-9-11-21;2*1-17(2)20-13-14-23-24(22-12-8-11-21(18(3)4)26(22)30-23)25(20)29-16-15-28-27(29)19-9-6-5-7-10-19;1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-2-5-9(6-3-1)11-8-4-7-10-11;2*1-4(6)3-5(2)7;;;;/h9-12,14-22H,1-8H3;7-10,12-20H,1-6H3;2*5-9,11-18H,1-4H3;1-6,8-9H;1-5,7-8H;2*3,6H,1-2H3;;;;/q6*-1;;;;;;.
What are the key properties of bis(1-[2,6-di(propan-2-yl)dibenzofuran-1-yl]-2-phenylimidazole);bis(4-hydroxypent-3-en-2-one);tetrakis(iridium);1-phenylpyrazole;2-phenylpyridine;2-phenyl-1-[2,4,6,8-tetra(propan-2-yl)dibenzofuran-1-yl]imidazole;2-phenyl-1-[2,6,8-tri(propan-2-yl)dibenzofuran-1-yl]imidazole?
bis(1-[2,6-di(propan-2-yl)dibenzofuran-1-yl]-2-phenylimidazole);bis(4-hydroxypent-3-en-2-one);tetrakis(iridium);1-phenylpyrazole;2-phenylpyridine;2-phenyl-1-[2,4,6,8-tetra(propan-2-yl)dibenzofuran-1-yl]imidazole;2-phenyl-1-[2,6,8-tri(propan-2-yl)dibenzofuran-1-yl]imidazole has a molecular weight of 2966.75 g/mol, XLogP of 39.60, 23 rotatable bonds, 2 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-[2,6-di(propan-2-yl)dibenzofuran-1-yl]-2-phenylimidazole);bis(4-hydroxypent-3-en-2-one);tetrakis(iridium);1-phenylpyrazole;2-phenylpyridine;2-phenyl-1-[2,4,6,8-tetra(propan-2-yl)dibenzofuran-1-yl]imidazole;2-phenyl-1-[2,6,8-tri(propan-2-yl)dibenzofuran-1-yl]imidazole is sourced from PubChem (CID 157214707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).