heptakis(2-[3-[2-(2,6-dimethylphenyl)phenyl]benzene-6-id-1-yl]pyridine);2-[3-[2-(2,6-dimethylphenyl)-4-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)phenyl]benzene-6-id-1-yl]pyridine;octakis(iridium);2-phenyl-1,3-benzothiazole;2-phenyl-1,3-benzoxazole;2-[3-[3-(6-phenylhexyl)phenyl]benzene-6-id-1-yl]-1,3-benzothiazole;1-phenyl-2-phenylbenzimidazole;2-[3-[3-(3-phenylphenyl)phenyl]benzene-6-id-1-yl]pyridine;4-phenylpyrimidine

C320H243F11Ir8N16OS2-14 — CID 160721412

IUPACheptakis(2-[3-[2-(2,6-dimethylphenyl)phenyl]benzene-6-id-1-yl]pyridine);2-[3-[2-(2,6-dimethylphenyl)-4-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)phenyl]benzene-6-id-1-yl]pyridine;octakis(iridium);2-phenyl-1,3-benzothiazole;2-phenyl-1,3-benzoxazole;2-[3-[3-(6-phenylhexyl)phenyl]benzene-6-id-1-yl]-1,3-benzothiazole;1-phenyl-2-phenylbenzimidazole;2-[3-[3-(3-phenylphenyl)phenyl]benzene-6-id-1-yl]pyridine;4-phenylpyrimidine
SMILESCc1cccc(C)c1-c1cc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)ccc1-c1cc[c-]c(-c2ccccn2)c1.Cc1cccc(C)c1-c1ccccc1-c1cc[c-]c(-c2ccccn2)c1.Cc1cccc(C)c1-c1ccccc1-c1cc[c-]c(-c2ccccn2)c1.Cc1cccc(C)c1-c1ccccc1-c1cc[c-]c(-c2ccccn2)c1.Cc1cccc(C)c1-c1ccccc1-c1cc[c-]c(-c2ccccn2)c1.Cc1cccc(C)c1-c1ccccc1-c1cc[c-]c(-c2ccccn2)c1.Cc1cccc(C)c1-c1ccccc1-c1cc[c-]c(-c2ccccn2)c1.Cc1cccc(C)c1-c1ccccc1-c1cc[c-]c(-c2ccccn2)c1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccc(-c2cccc(-c3cccc(-c4ccccc4)c3)c2)cc1-c1ccccn1.[c-]1ccc(-c2cccc(CCCCCCc3ccccc3)c2)cc1-c1nc2ccccc2s1.[c-]1ccccc1-c1ccncn1.[c-]1ccccc1-c1nc2ccccc2n1-c1ccccc1.[c-]1ccccc1-c1nc2ccccc2o1.[c-]1ccccc1-c1nc2ccccc2s1
InChIInChI=1S/C31H28NS.C30H19F11N.C29H20N.7C25H20N.C19H13N2.C13H8NO.C13H8NS.C10H7N2.8Ir/c1(4-12-24-13-6-3-7-14-24)2-5-15-25-16-10-17-26(22-25)27-18-11-19-28(23-27)31-32-29-20-8-9-21-30(29)33-31;1-17-7-5-8-18(2)25(17)23-16-21(26(31,32)27(33,34)28(35,36)29(37,38)30(39,40)41)12-13-22(23)19-9-6-10-20(15-19)24-11-3-4-14-42-24;1-2-9-22(10-3-1)23-11-6-12-24(19-23)25-13-7-14-26(20-25)27-15-8-16-28(21-27)29-17-4-5-18-30-29;7*1-18-9-7-10-19(2)25(18)23-14-4-3-13-22(23)20-11-8-12-21(17-20)24-15-5-6-16-26-24;1-3-9-15(10-4-1)19-20-17-13-7-8-14-18(17)21(19)16-11-5-2-6-12-16;2*1-2-6-10(7-3-1)13-14-11-8-4-5-9-12(11)15-13;1-2-4-9(5-3-1)10-6-7-11-8-12-10;;;;;;;;/h3,6-11,13-14,16-18,20-23H,1-2,4-5,12,15H2;3-9,11-16H,1-2H3;1-15,17-21H;7*3-11,13-17H,1-2H3;1-9,11-14H;2*1-6,8-9H;1-4,6-8H;;;;;;;;/q14*-1;;;;;;;;
InChIKeyXEMZZXRXFQDFKU-UHFFFAOYSA-N
MW6139.42 g/mol
LogP85.36
Rot. Bonds46

About heptakis(2-[3-[2-(2,6-dimethylphenyl)phenyl]benzene-6-id-1-yl]pyridine);2-[3-[2-(2,6-dimethylphenyl)-4-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)phenyl]benzene-6-id-1-yl]pyridine;octakis(iridium);2-phenyl-1,3-benzothiazole;2-phenyl-1,3-benzoxazole;2-[3-[3-(6-phenylhexyl)phenyl]benzene-6-id-1-yl]-1,3-benzothiazole;1-phenyl-2-phenylbenzimidazole;2-[3-[3-(3-phenylphenyl)phenyl]benzene-6-id-1-yl]pyridine;4-phenylpyrimidine

heptakis(2-[3-[2-(2,6-dimethylphenyl)phenyl]benzene-6-id-1-yl]pyridine);2-[3-[2-(2,6-dimethylphenyl)-4-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)phenyl]benzene-6-id-1-yl]pyridine;octakis(iridium);2-phenyl-1,3-benzothiazole;2-phenyl-1,3-benzoxazole;2-[3-[3-(6-phenylhexyl)phenyl]benzene-6-id-1-yl]-1,3-benzothiazole;1-phenyl-2-phenylbenzimidazole;2-[3-[3-(3-phenylphenyl)phenyl]benzene-6-id-1-yl]pyridine;4-phenylpyrimidine (PubChem CID 160721412) has the molecular formula C320H243F11Ir8N16OS2-14 and a molecular weight of 6139.42 g/mol. Its IUPAC name is heptakis(2-[3-[2-(2,6-dimethylphenyl)phenyl]benzene-6-id-1-yl]pyridine);2-[3-[2-(2,6-dimethylphenyl)-4-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)phenyl]benzene-6-id-1-yl]pyridine;octakis(iridium);2-phenyl-1,3-benzothiazole;2-phenyl-1,3-benzoxazole;2-[3-[3-(6-phenylhexyl)phenyl]benzene-6-id-1-yl]-1,3-benzothiazole;1-phenyl-2-phenylbenzimidazole;2-[3-[3-(3-phenylphenyl)phenyl]benzene-6-id-1-yl]pyridine;4-phenylpyrimidine.

Molecular Properties

Compound Nameheptakis(2-[3-[2-(2,6-dimethylphenyl)phenyl]benzene-6-id-1-yl]pyridine);2-[3-[2-(2,6-dimethylphenyl)-4-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)phenyl]benzene-6-id-1-yl]pyridine;octakis(iridium);2-phenyl-1,3-benzothiazole;2-phenyl-1,3-benzoxazole;2-[3-[3-(6-phenylhexyl)phenyl]benzene-6-id-1-yl]-1,3-benzothiazole;1-phenyl-2-phenylbenzimidazole;2-[3-[3-(3-phenylphenyl)phenyl]benzene-6-id-1-yl]pyridine;4-phenylpyrimidine
PubChem CID160721412
Molecular FormulaC320H243F11Ir8N16OS2-14
Molecular Weight6139.42 g/mol
Exact Mass6141.58
IUPAC Nameheptakis(2-[3-[2-(2,6-dimethylphenyl)phenyl]benzene-6-id-1-yl]pyridine);2-[3-[2-(2,6-dimethylphenyl)-4-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)phenyl]benzene-6-id-1-yl]pyridine;octakis(iridium);2-phenyl-1,3-benzothiazole;2-phenyl-1,3-benzoxazole;2-[3-[3-(6-phenylhexyl)phenyl]benzene-6-id-1-yl]-1,3-benzothiazole;1-phenyl-2-phenylbenzimidazole;2-[3-[3-(3-phenylphenyl)phenyl]benzene-6-id-1-yl]pyridine;4-phenylpyrimidine
SMILESCc1cccc(C)c1-c1cc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)ccc1-c1cc[c-]c(-c2ccccn2)c1.Cc1cccc(C)c1-c1ccccc1-c1cc[c-]c(-c2ccccn2)c1.Cc1cccc(C)c1-c1ccccc1-c1cc[c-]c(-c2ccccn2)c1.Cc1cccc(C)c1-c1ccccc1-c1cc[c-]c(-c2ccccn2)c1.Cc1cccc(C)c1-c1ccccc1-c1cc[c-]c(-c2ccccn2)c1.Cc1cccc(C)c1-c1ccccc1-c1cc[c-]c(-c2ccccn2)c1.Cc1cccc(C)c1-c1ccccc1-c1cc[c-]c(-c2ccccn2)c1.Cc1cccc(C)c1-c1ccccc1-c1cc[c-]c(-c2ccccn2)c1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccc(-c2cccc(-c3cccc(-c4ccccc4)c3)c2)cc1-c1ccccn1.[c-]1ccc(-c2cccc(CCCCCCc3ccccc3)c2)cc1-c1nc2ccccc2s1.[c-]1ccccc1-c1ccncn1.[c-]1ccccc1-c1nc2ccccc2n1-c1ccccc1.[c-]1ccccc1-c1nc2ccccc2o1.[c-]1ccccc1-c1nc2ccccc2s1
InChIInChI=1S/C31H28NS.C30H19F11N.C29H20N.7C25H20N.C19H13N2.C13H8NO.C13H8NS.C10H7N2.8Ir/c1(4-12-24-13-6-3-7-14-24)2-5-15-25-16-10-17-26(22-25)27-18-11-19-28(23-27)31-32-29-20-8-9-21-30(29)33-31;1-17-7-5-8-18(2)25(17)23-16-21(26(31,32)27(33,34)28(35,36)29(37,38)30(39,40)41)12-13-22(23)19-9-6-10-20(15-19)24-11-3-4-14-42-24;1-2-9-22(10-3-1)23-11-6-12-24(19-23)25-13-7-14-26(20-25)27-15-8-16-28(21-27)29-17-4-5-18-30-29;7*1-18-9-7-10-19(2)25(18)23-14-4-3-13-22(23)20-11-8-12-21(17-20)24-15-5-6-16-26-24;1-3-9-15(10-4-1)19-20-17-13-7-8-14-18(17)21(19)16-11-5-2-6-12-16;2*1-2-6-10(7-3-1)13-14-11-8-4-5-9-12(11)15-13;1-2-4-9(5-3-1)10-6-7-11-8-12-10;;;;;;;;/h3,6-11,13-14,16-18,20-23H,1-2,4-5,12,15H2;3-9,11-16H,1-2H3;1-15,17-21H;7*3-11,13-17H,1-2H3;1-9,11-14H;2*1-6,8-9H;1-4,6-8H;;;;;;;;/q14*-1;;;;;;;;
InChIKeyXEMZZXRXFQDFKU-UHFFFAOYSA-N
XLogP85.36
TPSA211.42 Ų
H-Bond Donors
H-Bond Acceptors19
Rotatable Bonds46
Heavy Atoms358
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5006139.42
LogP ≤ 585.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1019

Analyze heptakis(2-[3-[2-(2,6-dimethylphenyl)phenyl]benzene-6-id-1-yl]pyridine);2-[3-[2-(2,6-dimethylphenyl)-4-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)phenyl]benzene-6-id-1-yl]pyridine;octakis(iridium);2-phenyl-1,3-benzothiazole;2-phenyl-1,3-benzoxazole;2-[3-[3-(6-phenylhexyl)phenyl]benzene-6-id-1-yl]-1,3-benzothiazole;1-phenyl-2-phenylbenzimidazole;2-[3-[3-(3-phenylphenyl)phenyl]benzene-6-id-1-yl]pyridine;4-phenylpyrimidine with MolForge

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Related Compounds

1-Cyclohexyl-4-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;9-phenyl-4-propan-2-ylcarbazole;1-phenyl-2-(4-propan-2-ylphenyl)benzimidazole;4-propan-2-ylbenzonitrile;5-propan-2-yl-1,2-dihydroacenaphthylene;1-propan-2-ylisoquinoline;2-(4-propan-2-ylphenyl)-1,3-benzothiazole;2-(4-propan-2-ylphenyl)-1,3-benzoxazole;9-(4-propan-2-ylphenyl)carbazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylquinoline;5-propan-2-yl-1,2,3,4-tetrahydronaphthalene;1-propan-2-yl-4-(trifluoromethyl)benzene;trimethyl-(4-propan-2-ylphenyl)silane;triphenyl-(4-propan-2-ylphenyl)silane
CID 157063515
1-cyclohexyl-3-propan-2-ylbenzene;1-cyclopentyl-3-propan-2-ylbenzene;2-methyl-4-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1-benzofuran;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1-benzothiophene;2-propan-2-yl-1,3-benzoxazole;2-propan-2-ylimidazo[1,2-a]pyridine;1-propan-2-ylisoquinoline;3-propan-2-ylisoquinoline;1-(2-propan-2-ylphenyl)pyrrolidine;2-propan-2-ylquinazoline;3-propan-2-ylquinoline;4-propan-2-ylquinoline;2-propan-2-ylquinoxaline;2-propan-2-yl-3-(trifluoromethyl)pyridine
CID 157464689
dialuminum;diberyllium;tetragallium;[2-(1,3-benzothiazol-2-yl)phenyl]-methylsulfonylazanide;bis(N-[2-(benzotriazol-2-yl)phenyl]-2,2,2-trifluoroethanimidate);[2-(1,3-benzoxazol-2-yl)phenyl]-pyrazin-2-ylazanide;2-(1-methylpyrrol-2-yl)phenolate;bis([2-(1-phenylbenzimidazol-2-yl)phenyl]-(trifluoromethyl)azanide);2-pyridin-2-ylnaphthalen-1-olate
CID 157512452
Dialuminum;trigallium;[2-(1,3-benzothiazol-2-yl)phenyl]-methylsulfonylazanide;[2-(1,3-benzoxazol-2-yl)phenyl]-pyrazin-2-ylazanide;7-(3-methylphenyl)-2-pyridin-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-olate;7-(4-methylphenyl)-2-pyridin-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-olate;2-pyridin-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a][1,3,5]triazin-4-olate
CID 157760113
2-[3-(10b,10c-Dihydropyren-4-yl)-5-pyridin-3-ylphenyl]-1,3-benzothiazole;2-[3-(10b,10c-dihydropyren-4-yl)-5-pyridin-3-ylphenyl]-1,3-benzothiazole-6-carbonitrile;5-[6-(1-phenylbenzimidazol-2-yl)-2-pyridin-3-ylpyrimidin-4-yl]-1,10-phenanthroline;2-(4-pyridin-3-yl-6-pyrimidin-2-yl-1,3,5-triazin-2-yl)-6-(trifluoromethyl)-1,3-benzoxazole
CID 157769145
6-fluoro-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1,3-benzothiazol-2-amine;6-fluoro-N-[2-[4-[(2-propan-2-yloxyphenyl)methyl]piperazin-1-yl]ethyl]-1,3-benzothiazol-2-amine;N-[4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]butyl]-1,3-benzothiazol-2-amine;1-methyl-2-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]benzimidazole;N-[2-(4-naphthalen-2-ylpiperazin-1-yl)ethyl]-1,3-benzothiazol-2-amine;N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1,3-benzoxazol-2-amine
CID 157832980
cumene;3-isocyano-2-propan-2-ylpyridine;methane;5-methylidene-3-propan-2-ylpyrrolidin-2-one;5-methyl-3-propan-2-yl-1,2,4-oxadiazole;bis(4-methyl-2-propan-2-ylpyridine);5-methyl-2-propan-2-ylpyridine;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-4H-imidazole;3-propan-2-yl-4H-1,2-oxazol-5-one;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;6-propan-2-ylpyridine-2-carbonitrile;6-propan-2-ylpyridine-3-carbonitrile;2-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole;2-propan-2-yl-5-(trifluoromethyl)pyridine;3-propan-2-yl-5-(trifluoromethyl)pyridine;2-propan-2-yl-4-(trifluoromethyl)pyrimidine
CID 157838250
2,5-Dimethyl-1,3-benzothiazole;1-methoxy-4-methylbenzene;5-methyl-1,3-benzothiazole;3-methyl-1-benzothiophene;5-methyl-2,1,3-benzoxadiazole;2-methyl-1,3-benzoxazole;3-methyl-5-phenyl-1,2,4-oxadiazole;2-methylpyrazine;2-methylpyrimidine;2-methyl-[1,3]thiazolo[5,4-b]pyridine;2-methyl-4-thiophen-2-ylpyrimidine;2-methyl-5-(trifluoromethyl)pyridine
CID 158298930
1H-benzimidazol-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1,3-benzothiazol-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1,3-benzoxazol-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1H-imidazo[4,5-b]pyridin-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(5-piperidin-1-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(5-pyrrol-1-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
CID 158306259
cumene;3-isocyano-2-propan-2-ylpyridine;methane;5-methylidene-3-propan-2-ylpyrrolidin-2-one;5-methyl-3-propan-2-yl-1,2,4-oxadiazole;bis(4-methyl-2-propan-2-ylpyridine);5-methyl-2-propan-2-ylpyridine;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-4H-imidazole;3-propan-2-yl-4H-1,2-oxazol-5-one;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;6-propan-2-ylpyridine-2-carbonitrile;6-propan-2-ylpyridine-3-carbonitrile;2-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole;2-propan-2-yl-5-(trifluoromethyl)pyridine;3-propan-2-yl-5-(trifluoromethyl)pyridine;5-propan-2-yl-2-(trifluoromethyl)pyridine;2-propan-2-yl-4-(trifluoromethyl)pyrimidine
CID 158365916
CID 158466648
CID 158466648
cumene;3-isocyano-2-propan-2-ylpyridine;methane;5-methylidene-3-propan-2-ylpyrrolidin-2-one;5-methyl-3-propan-2-yl-1,2,4-oxadiazole;bis(4-methyl-2-propan-2-ylpyridine);5-methyl-2-propan-2-ylpyridine;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-4H-imidazole;3-propan-2-yl-4H-1,2-oxazol-5-one;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;6-propan-2-ylpyridine-2-carbonitrile;6-propan-2-ylpyridine-3-carbonitrile;2-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole;2-propan-2-yl-5-(trifluoromethyl)pyridine;3-propan-2-yl-5-(trifluoromethyl)pyridine;2-propan-2-yl-4-(trifluoromethyl)pyrimidine
CID 158490789

Frequently Asked Questions

What is the IUPAC name of heptakis(2-[3-[2-(2,6-dimethylphenyl)phenyl]benzene-6-id-1-yl]pyridine);2-[3-[2-(2,6-dimethylphenyl)-4-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)phenyl]benzene-6-id-1-yl]pyridine;octakis(iridium);2-phenyl-1,3-benzothiazole;2-phenyl-1,3-benzoxazole;2-[3-[3-(6-phenylhexyl)phenyl]benzene-6-id-1-yl]-1,3-benzothiazole;1-phenyl-2-phenylbenzimidazole;2-[3-[3-(3-phenylphenyl)phenyl]benzene-6-id-1-yl]pyridine;4-phenylpyrimidine?
The IUPAC name of heptakis(2-[3-[2-(2,6-dimethylphenyl)phenyl]benzene-6-id-1-yl]pyridine);2-[3-[2-(2,6-dimethylphenyl)-4-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)phenyl]benzene-6-id-1-yl]pyridine;octakis(iridium);2-phenyl-1,3-benzothiazole;2-phenyl-1,3-benzoxazole;2-[3-[3-(6-phenylhexyl)phenyl]benzene-6-id-1-yl]-1,3-benzothiazole;1-phenyl-2-phenylbenzimidazole;2-[3-[3-(3-phenylphenyl)phenyl]benzene-6-id-1-yl]pyridine;4-phenylpyrimidine (CID 160721412) is heptakis(2-[3-[2-(2,6-dimethylphenyl)phenyl]benzene-6-id-1-yl]pyridine);2-[3-[2-(2,6-dimethylphenyl)-4-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)phenyl]benzene-6-id-1-yl]pyridine;octakis(iridium);2-phenyl-1,3-benzothiazole;2-phenyl-1,3-benzoxazole;2-[3-[3-(6-phenylhexyl)phenyl]benzene-6-id-1-yl]-1,3-benzothiazole;1-phenyl-2-phenylbenzimidazole;2-[3-[3-(3-phenylphenyl)phenyl]benzene-6-id-1-yl]pyridine;4-phenylpyrimidine.
What is the SMILES notation for heptakis(2-[3-[2-(2,6-dimethylphenyl)phenyl]benzene-6-id-1-yl]pyridine);2-[3-[2-(2,6-dimethylphenyl)-4-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)phenyl]benzene-6-id-1-yl]pyridine;octakis(iridium);2-phenyl-1,3-benzothiazole;2-phenyl-1,3-benzoxazole;2-[3-[3-(6-phenylhexyl)phenyl]benzene-6-id-1-yl]-1,3-benzothiazole;1-phenyl-2-phenylbenzimidazole;2-[3-[3-(3-phenylphenyl)phenyl]benzene-6-id-1-yl]pyridine;4-phenylpyrimidine?
The canonical SMILES for heptakis(2-[3-[2-(2,6-dimethylphenyl)phenyl]benzene-6-id-1-yl]pyridine);2-[3-[2-(2,6-dimethylphenyl)-4-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)phenyl]benzene-6-id-1-yl]pyridine;octakis(iridium);2-phenyl-1,3-benzothiazole;2-phenyl-1,3-benzoxazole;2-[3-[3-(6-phenylhexyl)phenyl]benzene-6-id-1-yl]-1,3-benzothiazole;1-phenyl-2-phenylbenzimidazole;2-[3-[3-(3-phenylphenyl)phenyl]benzene-6-id-1-yl]pyridine;4-phenylpyrimidine is Cc1cccc(C)c1-c1cc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)ccc1-c1cc[c-]c(-c2ccccn2)c1.Cc1cccc(C)c1-c1ccccc1-c1cc[c-]c(-c2ccccn2)c1.Cc1cccc(C)c1-c1ccccc1-c1cc[c-]c(-c2ccccn2)c1.Cc1cccc(C)c1-c1ccccc1-c1cc[c-]c(-c2ccccn2)c1.Cc1cccc(C)c1-c1ccccc1-c1cc[c-]c(-c2ccccn2)c1.Cc1cccc(C)c1-c1ccccc1-c1cc[c-]c(-c2ccccn2)c1.Cc1cccc(C)c1-c1ccccc1-c1cc[c-]c(-c2ccccn2)c1.Cc1cccc(C)c1-c1ccccc1-c1cc[c-]c(-c2ccccn2)c1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccc(-c2cccc(-c3cccc(-c4ccccc4)c3)c2)cc1-c1ccccn1.[c-]1ccc(-c2cccc(CCCCCCc3ccccc3)c2)cc1-c1nc2ccccc2s1.[c-]1ccccc1-c1ccncn1.[c-]1ccccc1-c1nc2ccccc2n1-c1ccccc1.[c-]1ccccc1-c1nc2ccccc2o1.[c-]1ccccc1-c1nc2ccccc2s1.
What is the InChIKey of heptakis(2-[3-[2-(2,6-dimethylphenyl)phenyl]benzene-6-id-1-yl]pyridine);2-[3-[2-(2,6-dimethylphenyl)-4-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)phenyl]benzene-6-id-1-yl]pyridine;octakis(iridium);2-phenyl-1,3-benzothiazole;2-phenyl-1,3-benzoxazole;2-[3-[3-(6-phenylhexyl)phenyl]benzene-6-id-1-yl]-1,3-benzothiazole;1-phenyl-2-phenylbenzimidazole;2-[3-[3-(3-phenylphenyl)phenyl]benzene-6-id-1-yl]pyridine;4-phenylpyrimidine?
The InChIKey is XEMZZXRXFQDFKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H28NS.C30H19F11N.C29H20N.7C25H20N.C19H13N2.C13H8NO.C13H8NS.C10H7N2.8Ir/c1(4-12-24-13-6-3-7-14-24)2-5-15-25-16-10-17-26(22-25)27-18-11-19-28(23-27)31-32-29-20-8-9-21-30(29)33-31;1-17-7-5-8-18(2)25(17)23-16-21(26(31,32)27(33,34)28(35,36)29(37,38)30(39,40)41)12-13-22(23)19-9-6-10-20(15-19)24-11-3-4-14-42-24;1-2-9-22(10-3-1)23-11-6-12-24(19-23)25-13-7-14-26(20-25)27-15-8-16-28(21-27)29-17-4-5-18-30-29;7*1-18-9-7-10-19(2)25(18)23-14-4-3-13-22(23)20-11-8-12-21(17-20)24-15-5-6-16-26-24;1-3-9-15(10-4-1)19-20-17-13-7-8-14-18(17)21(19)16-11-5-2-6-12-16;2*1-2-6-10(7-3-1)13-14-11-8-4-5-9-12(11)15-13;1-2-4-9(5-3-1)10-6-7-11-8-12-10;;;;;;;;/h3,6-11,13-14,16-18,20-23H,1-2,4-5,12,15H2;3-9,11-16H,1-2H3;1-15,17-21H;7*3-11,13-17H,1-2H3;1-9,11-14H;2*1-6,8-9H;1-4,6-8H;;;;;;;;/q14*-1;;;;;;;;.
What are the key properties of heptakis(2-[3-[2-(2,6-dimethylphenyl)phenyl]benzene-6-id-1-yl]pyridine);2-[3-[2-(2,6-dimethylphenyl)-4-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)phenyl]benzene-6-id-1-yl]pyridine;octakis(iridium);2-phenyl-1,3-benzothiazole;2-phenyl-1,3-benzoxazole;2-[3-[3-(6-phenylhexyl)phenyl]benzene-6-id-1-yl]-1,3-benzothiazole;1-phenyl-2-phenylbenzimidazole;2-[3-[3-(3-phenylphenyl)phenyl]benzene-6-id-1-yl]pyridine;4-phenylpyrimidine?
heptakis(2-[3-[2-(2,6-dimethylphenyl)phenyl]benzene-6-id-1-yl]pyridine);2-[3-[2-(2,6-dimethylphenyl)-4-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)phenyl]benzene-6-id-1-yl]pyridine;octakis(iridium);2-phenyl-1,3-benzothiazole;2-phenyl-1,3-benzoxazole;2-[3-[3-(6-phenylhexyl)phenyl]benzene-6-id-1-yl]-1,3-benzothiazole;1-phenyl-2-phenylbenzimidazole;2-[3-[3-(3-phenylphenyl)phenyl]benzene-6-id-1-yl]pyridine;4-phenylpyrimidine has a molecular weight of 6139.42 g/mol, XLogP of 85.36, 46 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for heptakis(2-[3-[2-(2,6-dimethylphenyl)phenyl]benzene-6-id-1-yl]pyridine);2-[3-[2-(2,6-dimethylphenyl)-4-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)phenyl]benzene-6-id-1-yl]pyridine;octakis(iridium);2-phenyl-1,3-benzothiazole;2-phenyl-1,3-benzoxazole;2-[3-[3-(6-phenylhexyl)phenyl]benzene-6-id-1-yl]-1,3-benzothiazole;1-phenyl-2-phenylbenzimidazole;2-[3-[3-(3-phenylphenyl)phenyl]benzene-6-id-1-yl]pyridine;4-phenylpyrimidine is sourced from PubChem (CID 160721412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).