bis(3-deuterio-1-(3,5-dimethylbenzene-6-id-1-yl)-6-propan-2-ylisoquinoline);bis(3,7-diethyl-6-hydroxy-3-methylnon-5-en-4-one);bis(3,7-diethyl-1,1,1-trifluoro-6-hydroxynon-5-en-4-one);bis(1-(3,5-dimethylbenzene-6-id-1-yl)-6-propan-2-ylisoquinoline);2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-1-phenylbenzimidazole;tetrakis(iridium)

C187H208F6Ir4N6O8-4 — CID 158869292

IUPACbis(3-deuterio-1-(3,5-dimethylbenzene-6-id-1-yl)-6-propan-2-ylisoquinoline);bis(3,7-diethyl-6-hydroxy-3-methylnon-5-en-4-one);bis(3,7-diethyl-1,1,1-trifluoro-6-hydroxynon-5-en-4-one);bis(1-(3,5-dimethylbenzene-6-id-1-yl)-6-propan-2-ylisoquinoline);2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-1-phenylbenzimidazole;tetrakis(iridium)
SMILESCCC(CC(F)(F)F)C(=O)C=C(O)C(CC)CC.CCC(CC(F)(F)F)C(=O)C=C(O)C(CC)CC.CCC(CC)C(O)=CC(=O)C(C)(CC)CC.CCC(CC)C(O)=CC(=O)C(C)(CC)CC.Cc1[c-]c(-c2nccc3cc(C(C)C)ccc23)cc(C)c1.Cc1[c-]c(-c2nccc3cc(C(C)C)ccc23)cc(C)c1.[2H]c1cc2cc(C(C)C)ccc2c(-c2[c-]c(C)cc(C)c2)n1.[2H]c1cc2cc(C(C)C)ccc2c(-c2[c-]c(C)cc(C)c2)n1.[Ir].[Ir].[Ir].[Ir].c1ccc(-n2c(-c3ccc(-c4ccc5c(-c6ccc7ccccc7c6)c6ccccc6c(-c6ccc7ccccc7c6)c5c4)cc3)nc3ccccc32)cc1
InChIInChI=1S/C53H34N2.4C20H20N.2C14H26O2.2C13H21F3O2.4Ir/c1-2-16-44(17-3-1)55-50-21-11-10-20-49(50)54-53(55)38-26-22-37(23-27-38)41-30-31-47-48(34-41)52(43-29-25-36-13-5-7-15-40(36)33-43)46-19-9-8-18-45(46)51(47)42-28-24-35-12-4-6-14-39(35)32-42;4*1-13(2)16-5-6-19-17(12-16)7-8-21-20(19)18-10-14(3)9-15(4)11-18;2*1-6-11(7-2)12(15)10-13(16)14(5,8-3)9-4;2*1-4-9(5-2)11(17)7-12(18)10(6-3)8-13(14,15)16;;;;/h1-34H;4*5-10,12-13H,1-4H3;2*10-11,15H,6-9H2,1-5H3;2*7,9-10,17H,4-6,8H2,1-3H3;;;;/q;4*-1;;;;;;;;/i;2*8D;;;;;;;;;;
InChIKeyLBVZPUKNNGZYKY-ZVMZYPPCSA-N
MW3552.62 g/mol
LogP53.41
Rot. Bonds41

About bis(3-deuterio-1-(3,5-dimethylbenzene-6-id-1-yl)-6-propan-2-ylisoquinoline);bis(3,7-diethyl-6-hydroxy-3-methylnon-5-en-4-one);bis(3,7-diethyl-1,1,1-trifluoro-6-hydroxynon-5-en-4-one);bis(1-(3,5-dimethylbenzene-6-id-1-yl)-6-propan-2-ylisoquinoline);2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-1-phenylbenzimidazole;tetrakis(iridium)

bis(3-deuterio-1-(3,5-dimethylbenzene-6-id-1-yl)-6-propan-2-ylisoquinoline);bis(3,7-diethyl-6-hydroxy-3-methylnon-5-en-4-one);bis(3,7-diethyl-1,1,1-trifluoro-6-hydroxynon-5-en-4-one);bis(1-(3,5-dimethylbenzene-6-id-1-yl)-6-propan-2-ylisoquinoline);2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-1-phenylbenzimidazole;tetrakis(iridium) (PubChem CID 158869292) has the molecular formula C187H208F6Ir4N6O8-4 and a molecular weight of 3552.62 g/mol. Its IUPAC name is bis(3-deuterio-1-(3,5-dimethylbenzene-6-id-1-yl)-6-propan-2-ylisoquinoline);bis(3,7-diethyl-6-hydroxy-3-methylnon-5-en-4-one);bis(3,7-diethyl-1,1,1-trifluoro-6-hydroxynon-5-en-4-one);bis(1-(3,5-dimethylbenzene-6-id-1-yl)-6-propan-2-ylisoquinoline);2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-1-phenylbenzimidazole;tetrakis(iridium).

Molecular Properties

Compound Namebis(3-deuterio-1-(3,5-dimethylbenzene-6-id-1-yl)-6-propan-2-ylisoquinoline);bis(3,7-diethyl-6-hydroxy-3-methylnon-5-en-4-one);bis(3,7-diethyl-1,1,1-trifluoro-6-hydroxynon-5-en-4-one);bis(1-(3,5-dimethylbenzene-6-id-1-yl)-6-propan-2-ylisoquinoline);2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-1-phenylbenzimidazole;tetrakis(iridium)
PubChem CID158869292
Molecular FormulaC187H208F6Ir4N6O8-4
Molecular Weight3552.62 g/mol
Exact Mass3553.46
IUPAC Namebis(3-deuterio-1-(3,5-dimethylbenzene-6-id-1-yl)-6-propan-2-ylisoquinoline);bis(3,7-diethyl-6-hydroxy-3-methylnon-5-en-4-one);bis(3,7-diethyl-1,1,1-trifluoro-6-hydroxynon-5-en-4-one);bis(1-(3,5-dimethylbenzene-6-id-1-yl)-6-propan-2-ylisoquinoline);2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-1-phenylbenzimidazole;tetrakis(iridium)
SMILESCCC(CC(F)(F)F)C(=O)C=C(O)C(CC)CC.CCC(CC(F)(F)F)C(=O)C=C(O)C(CC)CC.CCC(CC)C(O)=CC(=O)C(C)(CC)CC.CCC(CC)C(O)=CC(=O)C(C)(CC)CC.Cc1[c-]c(-c2nccc3cc(C(C)C)ccc23)cc(C)c1.Cc1[c-]c(-c2nccc3cc(C(C)C)ccc23)cc(C)c1.[2H]c1cc2cc(C(C)C)ccc2c(-c2[c-]c(C)cc(C)c2)n1.[2H]c1cc2cc(C(C)C)ccc2c(-c2[c-]c(C)cc(C)c2)n1.[Ir].[Ir].[Ir].[Ir].c1ccc(-n2c(-c3ccc(-c4ccc5c(-c6ccc7ccccc7c6)c6ccccc6c(-c6ccc7ccccc7c6)c5c4)cc3)nc3ccccc32)cc1
InChIInChI=1S/C53H34N2.4C20H20N.2C14H26O2.2C13H21F3O2.4Ir/c1-2-16-44(17-3-1)55-50-21-11-10-20-49(50)54-53(55)38-26-22-37(23-27-38)41-30-31-47-48(34-41)52(43-29-25-36-13-5-7-15-40(36)33-43)46-19-9-8-18-45(46)51(47)42-28-24-35-12-4-6-14-39(35)32-42;4*1-13(2)16-5-6-19-17(12-16)7-8-21-20(19)18-10-14(3)9-15(4)11-18;2*1-6-11(7-2)12(15)10-13(16)14(5,8-3)9-4;2*1-4-9(5-2)11(17)7-12(18)10(6-3)8-13(14,15)16;;;;/h1-34H;4*5-10,12-13H,1-4H3;2*10-11,15H,6-9H2,1-5H3;2*7,9-10,17H,4-6,8H2,1-3H3;;;;/q;4*-1;;;;;;;;/i;2*8D;;;;;;;;;;
InChIKeyLBVZPUKNNGZYKY-ZVMZYPPCSA-N
XLogP53.41
TPSA218.58 Ų
H-Bond Donors4
H-Bond Acceptors14
Rotatable Bonds41
Heavy Atoms211
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003552.62
LogP ≤ 553.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1014

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'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze bis(3-deuterio-1-(3,5-dimethylbenzene-6-id-1-yl)-6-propan-2-ylisoquinoline);bis(3,7-diethyl-6-hydroxy-3-methylnon-5-en-4-one);bis(3,7-diethyl-1,1,1-trifluoro-6-hydroxynon-5-en-4-one);bis(1-(3,5-dimethylbenzene-6-id-1-yl)-6-propan-2-ylisoquinoline);2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-1-phenylbenzimidazole;tetrakis(iridium) with MolForge

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Related Compounds

CID 157083796
CID 157083796
9-[4-[4-[[4-(4-Carbazol-9-ylphenyl)-3-methylphenyl]methyl]-2-methylphenyl]phenyl]carbazole;9-[4-[4-[(4-carbazol-9-ylphenyl)methyl]phenyl]phenyl]carbazole;1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;bis(2-phenylpyridine);5-[4-(4-pyrido[4,3-b]indol-5-ylphenyl)phenyl]pyrido[4,3-b]indole;9-[4-(4-pyrido[2,3-b]indol-9-ylphenyl)phenyl]pyrido[2,3-b]indole;5-[4-[2-[4-[2-(4-pyrido[3,2-b]indol-5-ylphenyl)propan-2-yl]phenyl]propan-2-yl]phenyl]pyrido[3,2-b]indole;rhodium(2+);8-[4-[4-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 157088916
4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-6-(4-tert-butylnaphthalen-2-yl)pyrimidine;tris(3,7-diethyl-6-hydroxynon-5-en-4-one);tris(iridium);4-(3H-naphthalen-3-id-2-yl)-6-naphthalen-2-ylpyrimidine;2-(3H-naphthalen-3-id-2-yl)-4-(4-phenylphenyl)-5-(trifluoromethyl)pyridine
CID 157103356
CID 157110314
CID 157110314
4-Tert-butyl-2-phenylpyridine;4-(3,4-diphenylbenzene-6-id-1-yl)benzo[f]isoquinoline;(5-hydroxy-2,6-dimethylhept-4-en-3-ylidene)oxidanium;bis(4-hydroxypent-3-en-2-ylideneoxidanium);tetrakis(iridium(3-));4-(3-methyl-4-phenylbenzene-6-id-1-yl)benzo[f]isoquinoline;3-methyl-2-phenylpyridine;4-(3-phenylbenzene-6-id-1-yl)benzo[f]isoquinoline;4-(3-phenylbenzene-6-id-1-yl)-8-propan-2-ylbenzo[f]isoquinoline;4-phenyl-2-phenylpyridine;2-phenylpyridine;(1,1,1-trifluoro-4-hydroxypent-3-en-2-ylidene)oxidanium
CID 157136876
8-[4-[1,1-Bis(1-phenylindol-3-yl)ethyl]phenyl]-4-ethyl-6-[3-(1-phenylbenzimidazol-2-yl)phenyl]-1-(4-pyridin-2-ylbenzene-5-id-1-yl)nonan-3-one;1-[4-[5-[4-[1,1-bis(1-phenylindol-3-yl)ethyl]phenyl]hexan-3-yl]phenyl]-5-hydroxyhex-4-en-3-one;2-[3-[5-[4-[1,1-bis(1-phenylindol-3-yl)ethyl]phenyl]hexan-3-yl]phenyl]-1-phenylbenzimidazole;5-fluoro-3-[2-(5-fluoro-1-phenylindol-3-yl)propan-2-yl]-1-phenylindole;bis(iridium);3-[2-(5-methyl-1-phenylindol-3-yl)propan-2-yl]-1-phenyl-5-(trifluoromethyl)indole;tris(2-phenylpyridine);platinum;trimethyl-[3-[2-(5-methyl-1-phenylindol-3-yl)propan-2-yl]-1-phenylindol-5-yl]silane
CID 157160871
CID 157186529
CID 157186529
CID 157192347
CID 157192347
1-(4-Tert-butylbenzene-6-id-1-yl)isoquinoline;pentakis(4-hydroxypent-3-en-2-one);hexakis(iridium);bis(methyl(diphenyl)phosphanium);4-methyl-2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;osmium(1+);1-phenylisoquinoline;2-phenyl-3-phenylpyrazine;2-phenyl-3-phenylquinoxaline;2-phenyl-3-phenyl-5,6,7,8-tetrahydroquinoxaline;2-phenylquinoline
CID 157210358
4-(3-Tert-butylbenzene-6-id-1-yl)benzo[f]isoquinoline;3,7-diethyl-6-hydroxynon-5-en-4-one;1-(3,5-dimethylbenzene-6-id-1-yl)-6-(2,2,2-trifluoroethyl)isoquinoline;3-(8-fluorobenzo[f]isoquinolin-4-yl)benzene-4-ide-1-carbonitrile;5-hydroxyhept-4-en-3-one;4-hydroxypent-3-en-2-one;tris(iridium);3-(9-phenylcarbazol-3-yl)-9-(4-phenylquinazolin-2-yl)carbazole
CID 157242622
CID 157333042
CID 157333042
3,7-Diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;4-(3,5-dimethylbenzene-6-id-1-yl)-8-fluorobenzo[f]isoquinoline;tris(4-(3,5-dimethylbenzene-6-id-1-yl)-8-methyl-9-(trifluoromethyl)benzo[f]isoquinoline);bis(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);6-hydroxy-3,3,7,7-tetramethylnon-5-en-4-one;tetrakis(iridium)
CID 157344133

Frequently Asked Questions

What is the IUPAC name of bis(3-deuterio-1-(3,5-dimethylbenzene-6-id-1-yl)-6-propan-2-ylisoquinoline);bis(3,7-diethyl-6-hydroxy-3-methylnon-5-en-4-one);bis(3,7-diethyl-1,1,1-trifluoro-6-hydroxynon-5-en-4-one);bis(1-(3,5-dimethylbenzene-6-id-1-yl)-6-propan-2-ylisoquinoline);2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-1-phenylbenzimidazole;tetrakis(iridium)?
The IUPAC name of bis(3-deuterio-1-(3,5-dimethylbenzene-6-id-1-yl)-6-propan-2-ylisoquinoline);bis(3,7-diethyl-6-hydroxy-3-methylnon-5-en-4-one);bis(3,7-diethyl-1,1,1-trifluoro-6-hydroxynon-5-en-4-one);bis(1-(3,5-dimethylbenzene-6-id-1-yl)-6-propan-2-ylisoquinoline);2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-1-phenylbenzimidazole;tetrakis(iridium) (CID 158869292) is bis(3-deuterio-1-(3,5-dimethylbenzene-6-id-1-yl)-6-propan-2-ylisoquinoline);bis(3,7-diethyl-6-hydroxy-3-methylnon-5-en-4-one);bis(3,7-diethyl-1,1,1-trifluoro-6-hydroxynon-5-en-4-one);bis(1-(3,5-dimethylbenzene-6-id-1-yl)-6-propan-2-ylisoquinoline);2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-1-phenylbenzimidazole;tetrakis(iridium).
What is the SMILES notation for bis(3-deuterio-1-(3,5-dimethylbenzene-6-id-1-yl)-6-propan-2-ylisoquinoline);bis(3,7-diethyl-6-hydroxy-3-methylnon-5-en-4-one);bis(3,7-diethyl-1,1,1-trifluoro-6-hydroxynon-5-en-4-one);bis(1-(3,5-dimethylbenzene-6-id-1-yl)-6-propan-2-ylisoquinoline);2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-1-phenylbenzimidazole;tetrakis(iridium)?
The canonical SMILES for bis(3-deuterio-1-(3,5-dimethylbenzene-6-id-1-yl)-6-propan-2-ylisoquinoline);bis(3,7-diethyl-6-hydroxy-3-methylnon-5-en-4-one);bis(3,7-diethyl-1,1,1-trifluoro-6-hydroxynon-5-en-4-one);bis(1-(3,5-dimethylbenzene-6-id-1-yl)-6-propan-2-ylisoquinoline);2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-1-phenylbenzimidazole;tetrakis(iridium) is CCC(CC(F)(F)F)C(=O)C=C(O)C(CC)CC.CCC(CC(F)(F)F)C(=O)C=C(O)C(CC)CC.CCC(CC)C(O)=CC(=O)C(C)(CC)CC.CCC(CC)C(O)=CC(=O)C(C)(CC)CC.Cc1[c-]c(-c2nccc3cc(C(C)C)ccc23)cc(C)c1.Cc1[c-]c(-c2nccc3cc(C(C)C)ccc23)cc(C)c1.[2H]c1cc2cc(C(C)C)ccc2c(-c2[c-]c(C)cc(C)c2)n1.[2H]c1cc2cc(C(C)C)ccc2c(-c2[c-]c(C)cc(C)c2)n1.[Ir].[Ir].[Ir].[Ir].c1ccc(-n2c(-c3ccc(-c4ccc5c(-c6ccc7ccccc7c6)c6ccccc6c(-c6ccc7ccccc7c6)c5c4)cc3)nc3ccccc32)cc1.
What is the InChIKey of bis(3-deuterio-1-(3,5-dimethylbenzene-6-id-1-yl)-6-propan-2-ylisoquinoline);bis(3,7-diethyl-6-hydroxy-3-methylnon-5-en-4-one);bis(3,7-diethyl-1,1,1-trifluoro-6-hydroxynon-5-en-4-one);bis(1-(3,5-dimethylbenzene-6-id-1-yl)-6-propan-2-ylisoquinoline);2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-1-phenylbenzimidazole;tetrakis(iridium)?
The InChIKey is LBVZPUKNNGZYKY-ZVMZYPPCSA-N. The full InChI is InChI=1S/C53H34N2.4C20H20N.2C14H26O2.2C13H21F3O2.4Ir/c1-2-16-44(17-3-1)55-50-21-11-10-20-49(50)54-53(55)38-26-22-37(23-27-38)41-30-31-47-48(34-41)52(43-29-25-36-13-5-7-15-40(36)33-43)46-19-9-8-18-45(46)51(47)42-28-24-35-12-4-6-14-39(35)32-42;4*1-13(2)16-5-6-19-17(12-16)7-8-21-20(19)18-10-14(3)9-15(4)11-18;2*1-6-11(7-2)12(15)10-13(16)14(5,8-3)9-4;2*1-4-9(5-2)11(17)7-12(18)10(6-3)8-13(14,15)16;;;;/h1-34H;4*5-10,12-13H,1-4H3;2*10-11,15H,6-9H2,1-5H3;2*7,9-10,17H,4-6,8H2,1-3H3;;;;/q;4*-1;;;;;;;;/i;2*8D;;;;;;;;;;.
What are the key properties of bis(3-deuterio-1-(3,5-dimethylbenzene-6-id-1-yl)-6-propan-2-ylisoquinoline);bis(3,7-diethyl-6-hydroxy-3-methylnon-5-en-4-one);bis(3,7-diethyl-1,1,1-trifluoro-6-hydroxynon-5-en-4-one);bis(1-(3,5-dimethylbenzene-6-id-1-yl)-6-propan-2-ylisoquinoline);2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-1-phenylbenzimidazole;tetrakis(iridium)?
bis(3-deuterio-1-(3,5-dimethylbenzene-6-id-1-yl)-6-propan-2-ylisoquinoline);bis(3,7-diethyl-6-hydroxy-3-methylnon-5-en-4-one);bis(3,7-diethyl-1,1,1-trifluoro-6-hydroxynon-5-en-4-one);bis(1-(3,5-dimethylbenzene-6-id-1-yl)-6-propan-2-ylisoquinoline);2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-1-phenylbenzimidazole;tetrakis(iridium) has a molecular weight of 3552.62 g/mol, XLogP of 53.41, 41 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3-deuterio-1-(3,5-dimethylbenzene-6-id-1-yl)-6-propan-2-ylisoquinoline);bis(3,7-diethyl-6-hydroxy-3-methylnon-5-en-4-one);bis(3,7-diethyl-1,1,1-trifluoro-6-hydroxynon-5-en-4-one);bis(1-(3,5-dimethylbenzene-6-id-1-yl)-6-propan-2-ylisoquinoline);2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-1-phenylbenzimidazole;tetrakis(iridium) is sourced from PubChem (CID 158869292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).