bis(3-(3-dibenzofuran-2-ylbenzene-6-id-1-yl)-1,2-benzothiazole);1-(3,5-dimethylbenzene-6-id-1-yl)isoquinoline;5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;tetrakis(iridium);3-[3-(9-phenylcarbazol-3-yl)benzene-6-id-1-yl]-1,2-benzoxazole;2-phenylpyridine;3-phenyl-6-pyridin-3-yl-[1,2]oxazolo[4,5-c]pyridine;1-pyridin-2-yl-6,9-bis(trifluoromethyl)-2H-carbazol-2-ide

C156H108F6Ir4N11O6S2-7 — CID 160839964

IUPACbis(3-(3-dibenzofuran-2-ylbenzene-6-id-1-yl)-1,2-benzothiazole);1-(3,5-dimethylbenzene-6-id-1-yl)isoquinoline;5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;tetrakis(iridium);3-[3-(9-phenylcarbazol-3-yl)benzene-6-id-1-yl]-1,2-benzoxazole;2-phenylpyridine;3-phenyl-6-pyridin-3-yl-[1,2]oxazolo[4,5-c]pyridine;1-pyridin-2-yl-6,9-bis(trifluoromethyl)-2H-carbazol-2-ide
SMILESCC(C)(C)C(=O)C=C(O)C(C)(C)C.Cc1[c-]c(-c2nccc3ccccc23)cc(C)c1.FC(F)(F)c1ccc2c(c1)c1cc[c-]c(-c3ccccn3)c1n2C(F)(F)F.[Ir].[Ir].[Ir].[Ir].[c-]1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1-c1noc2ccccc12.[c-]1ccc(-c2ccc3oc4ccccc4c3c2)cc1-c1nsc2ccccc12.[c-]1ccc(-c2ccc3oc4ccccc4c3c2)cc1-c1nsc2ccccc12.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1noc2cc(-c3cccnc3)ncc12
InChIInChI=1S/C31H19N2O.2C25H14NOS.C19H9F6N2.C17H10N3O.C17H14N.C11H8N.C11H20O2.4Ir/c1-2-11-24(12-3-1)33-28-15-6-4-13-25(28)27-20-22(17-18-29(27)33)21-9-8-10-23(19-21)31-26-14-5-7-16-30(26)34-32-31;2*1-3-10-22-19(8-1)21-15-17(12-13-23(21)27-22)16-6-5-7-18(14-16)25-20-9-2-4-11-24(20)28-26-25;20-18(21,22)11-7-8-16-14(10-11)12-4-3-5-13(15-6-1-2-9-26-15)17(12)27(16)19(23,24)25;1-2-5-12(6-3-1)17-14-11-19-15(9-16(14)21-20-17)13-7-4-8-18-10-13;1-12-9-13(2)11-15(10-12)17-16-6-4-3-5-14(16)7-8-18-17;1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-10(2,3)8(12)7-9(13)11(4,5)6;;;;/h1-9,11-20H;2*1-6,8-15H;1-4,6-10H;1-5,7-11H;3-10H,1-2H3;1-6,8-9H;7,12H,1-6H3;;;;/q7*-1;;;;;
InChIKeyLESOJYIAEUIMEI-UHFFFAOYSA-N
MW3179.64 g/mol
LogP42.57
Rot. Bonds13

About bis(3-(3-dibenzofuran-2-ylbenzene-6-id-1-yl)-1,2-benzothiazole);1-(3,5-dimethylbenzene-6-id-1-yl)isoquinoline;5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;tetrakis(iridium);3-[3-(9-phenylcarbazol-3-yl)benzene-6-id-1-yl]-1,2-benzoxazole;2-phenylpyridine;3-phenyl-6-pyridin-3-yl-[1,2]oxazolo[4,5-c]pyridine;1-pyridin-2-yl-6,9-bis(trifluoromethyl)-2H-carbazol-2-ide

bis(3-(3-dibenzofuran-2-ylbenzene-6-id-1-yl)-1,2-benzothiazole);1-(3,5-dimethylbenzene-6-id-1-yl)isoquinoline;5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;tetrakis(iridium);3-[3-(9-phenylcarbazol-3-yl)benzene-6-id-1-yl]-1,2-benzoxazole;2-phenylpyridine;3-phenyl-6-pyridin-3-yl-[1,2]oxazolo[4,5-c]pyridine;1-pyridin-2-yl-6,9-bis(trifluoromethyl)-2H-carbazol-2-ide (PubChem CID 160839964) has the molecular formula C156H108F6Ir4N11O6S2-7 and a molecular weight of 3179.64 g/mol. Its IUPAC name is bis(3-(3-dibenzofuran-2-ylbenzene-6-id-1-yl)-1,2-benzothiazole);1-(3,5-dimethylbenzene-6-id-1-yl)isoquinoline;5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;tetrakis(iridium);3-[3-(9-phenylcarbazol-3-yl)benzene-6-id-1-yl]-1,2-benzoxazole;2-phenylpyridine;3-phenyl-6-pyridin-3-yl-[1,2]oxazolo[4,5-c]pyridine;1-pyridin-2-yl-6,9-bis(trifluoromethyl)-2H-carbazol-2-ide.

Molecular Properties

Compound Namebis(3-(3-dibenzofuran-2-ylbenzene-6-id-1-yl)-1,2-benzothiazole);1-(3,5-dimethylbenzene-6-id-1-yl)isoquinoline;5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;tetrakis(iridium);3-[3-(9-phenylcarbazol-3-yl)benzene-6-id-1-yl]-1,2-benzoxazole;2-phenylpyridine;3-phenyl-6-pyridin-3-yl-[1,2]oxazolo[4,5-c]pyridine;1-pyridin-2-yl-6,9-bis(trifluoromethyl)-2H-carbazol-2-ide
PubChem CID160839964
Molecular FormulaC156H108F6Ir4N11O6S2-7
Molecular Weight3179.64 g/mol
Exact Mass3180.64
IUPAC Namebis(3-(3-dibenzofuran-2-ylbenzene-6-id-1-yl)-1,2-benzothiazole);1-(3,5-dimethylbenzene-6-id-1-yl)isoquinoline;5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;tetrakis(iridium);3-[3-(9-phenylcarbazol-3-yl)benzene-6-id-1-yl]-1,2-benzoxazole;2-phenylpyridine;3-phenyl-6-pyridin-3-yl-[1,2]oxazolo[4,5-c]pyridine;1-pyridin-2-yl-6,9-bis(trifluoromethyl)-2H-carbazol-2-ide
SMILESCC(C)(C)C(=O)C=C(O)C(C)(C)C.Cc1[c-]c(-c2nccc3ccccc23)cc(C)c1.FC(F)(F)c1ccc2c(c1)c1cc[c-]c(-c3ccccn3)c1n2C(F)(F)F.[Ir].[Ir].[Ir].[Ir].[c-]1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1-c1noc2ccccc12.[c-]1ccc(-c2ccc3oc4ccccc4c3c2)cc1-c1nsc2ccccc12.[c-]1ccc(-c2ccc3oc4ccccc4c3c2)cc1-c1nsc2ccccc12.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1noc2cc(-c3cccnc3)ncc12
InChIInChI=1S/C31H19N2O.2C25H14NOS.C19H9F6N2.C17H10N3O.C17H14N.C11H8N.C11H20O2.4Ir/c1-2-11-24(12-3-1)33-28-15-6-4-13-25(28)27-20-22(17-18-29(27)33)21-9-8-10-23(19-21)31-26-14-5-7-16-30(26)34-32-31;2*1-3-10-22-19(8-1)21-15-17(12-13-23(21)27-22)16-6-5-7-18(14-16)25-20-9-2-4-11-24(20)28-26-25;20-18(21,22)11-7-8-16-14(10-11)12-4-3-5-13(15-6-1-2-9-26-15)17(12)27(16)19(23,24)25;1-2-5-12(6-3-1)17-14-11-19-15(9-16(14)21-20-17)13-7-4-8-18-10-13;1-12-9-13(2)11-15(10-12)17-16-6-4-3-5-14(16)7-8-18-17;1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-10(2,3)8(12)7-9(13)11(4,5)6;;;;/h1-9,11-20H;2*1-6,8-15H;1-4,6-10H;1-5,7-11H;3-10H,1-2H3;1-6,8-9H;7,12H,1-6H3;;;;/q7*-1;;;;;
InChIKeyLESOJYIAEUIMEI-UHFFFAOYSA-N
XLogP42.57
TPSA215.73 Ų
H-Bond Donors1
H-Bond Acceptors19
Rotatable Bonds13
Heavy Atoms185
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003179.64
LogP ≤ 542.57
H-Bond Donors ≤ 51
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(3-(3-dibenzofuran-2-ylbenzene-6-id-1-yl)-1,2-benzothiazole);1-(3,5-dimethylbenzene-6-id-1-yl)isoquinoline;5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;tetrakis(iridium);3-[3-(9-phenylcarbazol-3-yl)benzene-6-id-1-yl]-1,2-benzoxazole;2-phenylpyridine;3-phenyl-6-pyridin-3-yl-[1,2]oxazolo[4,5-c]pyridine;1-pyridin-2-yl-6,9-bis(trifluoromethyl)-2H-carbazol-2-ide with MolForge

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Frequently Asked Questions

What is the IUPAC name of bis(3-(3-dibenzofuran-2-ylbenzene-6-id-1-yl)-1,2-benzothiazole);1-(3,5-dimethylbenzene-6-id-1-yl)isoquinoline;5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;tetrakis(iridium);3-[3-(9-phenylcarbazol-3-yl)benzene-6-id-1-yl]-1,2-benzoxazole;2-phenylpyridine;3-phenyl-6-pyridin-3-yl-[1,2]oxazolo[4,5-c]pyridine;1-pyridin-2-yl-6,9-bis(trifluoromethyl)-2H-carbazol-2-ide?
The IUPAC name of bis(3-(3-dibenzofuran-2-ylbenzene-6-id-1-yl)-1,2-benzothiazole);1-(3,5-dimethylbenzene-6-id-1-yl)isoquinoline;5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;tetrakis(iridium);3-[3-(9-phenylcarbazol-3-yl)benzene-6-id-1-yl]-1,2-benzoxazole;2-phenylpyridine;3-phenyl-6-pyridin-3-yl-[1,2]oxazolo[4,5-c]pyridine;1-pyridin-2-yl-6,9-bis(trifluoromethyl)-2H-carbazol-2-ide (CID 160839964) is bis(3-(3-dibenzofuran-2-ylbenzene-6-id-1-yl)-1,2-benzothiazole);1-(3,5-dimethylbenzene-6-id-1-yl)isoquinoline;5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;tetrakis(iridium);3-[3-(9-phenylcarbazol-3-yl)benzene-6-id-1-yl]-1,2-benzoxazole;2-phenylpyridine;3-phenyl-6-pyridin-3-yl-[1,2]oxazolo[4,5-c]pyridine;1-pyridin-2-yl-6,9-bis(trifluoromethyl)-2H-carbazol-2-ide.
What is the SMILES notation for bis(3-(3-dibenzofuran-2-ylbenzene-6-id-1-yl)-1,2-benzothiazole);1-(3,5-dimethylbenzene-6-id-1-yl)isoquinoline;5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;tetrakis(iridium);3-[3-(9-phenylcarbazol-3-yl)benzene-6-id-1-yl]-1,2-benzoxazole;2-phenylpyridine;3-phenyl-6-pyridin-3-yl-[1,2]oxazolo[4,5-c]pyridine;1-pyridin-2-yl-6,9-bis(trifluoromethyl)-2H-carbazol-2-ide?
The canonical SMILES for bis(3-(3-dibenzofuran-2-ylbenzene-6-id-1-yl)-1,2-benzothiazole);1-(3,5-dimethylbenzene-6-id-1-yl)isoquinoline;5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;tetrakis(iridium);3-[3-(9-phenylcarbazol-3-yl)benzene-6-id-1-yl]-1,2-benzoxazole;2-phenylpyridine;3-phenyl-6-pyridin-3-yl-[1,2]oxazolo[4,5-c]pyridine;1-pyridin-2-yl-6,9-bis(trifluoromethyl)-2H-carbazol-2-ide is CC(C)(C)C(=O)C=C(O)C(C)(C)C.Cc1[c-]c(-c2nccc3ccccc23)cc(C)c1.FC(F)(F)c1ccc2c(c1)c1cc[c-]c(-c3ccccn3)c1n2C(F)(F)F.[Ir].[Ir].[Ir].[Ir].[c-]1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1-c1noc2ccccc12.[c-]1ccc(-c2ccc3oc4ccccc4c3c2)cc1-c1nsc2ccccc12.[c-]1ccc(-c2ccc3oc4ccccc4c3c2)cc1-c1nsc2ccccc12.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1noc2cc(-c3cccnc3)ncc12.
What is the InChIKey of bis(3-(3-dibenzofuran-2-ylbenzene-6-id-1-yl)-1,2-benzothiazole);1-(3,5-dimethylbenzene-6-id-1-yl)isoquinoline;5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;tetrakis(iridium);3-[3-(9-phenylcarbazol-3-yl)benzene-6-id-1-yl]-1,2-benzoxazole;2-phenylpyridine;3-phenyl-6-pyridin-3-yl-[1,2]oxazolo[4,5-c]pyridine;1-pyridin-2-yl-6,9-bis(trifluoromethyl)-2H-carbazol-2-ide?
The InChIKey is LESOJYIAEUIMEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H19N2O.2C25H14NOS.C19H9F6N2.C17H10N3O.C17H14N.C11H8N.C11H20O2.4Ir/c1-2-11-24(12-3-1)33-28-15-6-4-13-25(28)27-20-22(17-18-29(27)33)21-9-8-10-23(19-21)31-26-14-5-7-16-30(26)34-32-31;2*1-3-10-22-19(8-1)21-15-17(12-13-23(21)27-22)16-6-5-7-18(14-16)25-20-9-2-4-11-24(20)28-26-25;20-18(21,22)11-7-8-16-14(10-11)12-4-3-5-13(15-6-1-2-9-26-15)17(12)27(16)19(23,24)25;1-2-5-12(6-3-1)17-14-11-19-15(9-16(14)21-20-17)13-7-4-8-18-10-13;1-12-9-13(2)11-15(10-12)17-16-6-4-3-5-14(16)7-8-18-17;1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-10(2,3)8(12)7-9(13)11(4,5)6;;;;/h1-9,11-20H;2*1-6,8-15H;1-4,6-10H;1-5,7-11H;3-10H,1-2H3;1-6,8-9H;7,12H,1-6H3;;;;/q7*-1;;;;;.
What are the key properties of bis(3-(3-dibenzofuran-2-ylbenzene-6-id-1-yl)-1,2-benzothiazole);1-(3,5-dimethylbenzene-6-id-1-yl)isoquinoline;5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;tetrakis(iridium);3-[3-(9-phenylcarbazol-3-yl)benzene-6-id-1-yl]-1,2-benzoxazole;2-phenylpyridine;3-phenyl-6-pyridin-3-yl-[1,2]oxazolo[4,5-c]pyridine;1-pyridin-2-yl-6,9-bis(trifluoromethyl)-2H-carbazol-2-ide?
bis(3-(3-dibenzofuran-2-ylbenzene-6-id-1-yl)-1,2-benzothiazole);1-(3,5-dimethylbenzene-6-id-1-yl)isoquinoline;5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;tetrakis(iridium);3-[3-(9-phenylcarbazol-3-yl)benzene-6-id-1-yl]-1,2-benzoxazole;2-phenylpyridine;3-phenyl-6-pyridin-3-yl-[1,2]oxazolo[4,5-c]pyridine;1-pyridin-2-yl-6,9-bis(trifluoromethyl)-2H-carbazol-2-ide has a molecular weight of 3179.64 g/mol, XLogP of 42.57, 13 rotatable bonds, 1 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3-(3-dibenzofuran-2-ylbenzene-6-id-1-yl)-1,2-benzothiazole);1-(3,5-dimethylbenzene-6-id-1-yl)isoquinoline;5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;tetrakis(iridium);3-[3-(9-phenylcarbazol-3-yl)benzene-6-id-1-yl]-1,2-benzoxazole;2-phenylpyridine;3-phenyl-6-pyridin-3-yl-[1,2]oxazolo[4,5-c]pyridine;1-pyridin-2-yl-6,9-bis(trifluoromethyl)-2H-carbazol-2-ide is sourced from PubChem (CID 160839964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).