About 3,4-bis[2-(2-butoxyethoxy)ethoxy]-2,5-dimethylthiophene;[4-(4-bromo-N-phenanthren-9-ylanilino)phenyl]-di(phenanthren-9-yl)azanium;N,N-diphenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline;4-ethenyl-N-(4-ethenylphenyl)-N-[4-(3-pyridin-2-ylbenzene-4-id-1-yl)phenyl]aniline;17-ethynyl-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene-4,5,10,11,16-pentacarbonitrile;4-hydroxypent-3-en-2-one;bis(iridium);3-methyl-2-phenylpyridine;2-phenylpyridine;tris(2,3,4,5,6-pentafluorophenyl)-(2,3,5,6-tetrafluoro-4-methylphenyl)boranuide
3,4-bis[2-(2-butoxyethoxy)ethoxy]-2,5-dimethylthiophene;[4-(4-bromo-N-phenanthren-9-ylanilino)phenyl]-di(phenanthren-9-yl)azanium;N,N-diphenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline;4-ethenyl-N-(4-ethenylphenyl)-N-[4-(3-pyridin-2-ylbenzene-4-id-1-yl)phenyl]aniline;17-ethynyl-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene-4,5,10,11,16-pentacarbonitrile;4-hydroxypent-3-en-2-one;bis(iridium);3-methyl-2-phenylpyridine;2-phenylpyridine;tris(2,3,4,5,6-pentafluorophenyl)-(2,3,5,6-tetrafluoro-4-methylphenyl)boranuide (PubChem CID 158059001) has the molecular formula C253H185BBrF19Ir2N21O8S-3
and a molecular weight of 4515.58 g/mol. Its IUPAC name is 3,4-bis[2-(2-butoxyethoxy)ethoxy]-2,5-dimethylthiophene;[4-(4-bromo-N-phenanthren-9-ylanilino)phenyl]-di(phenanthren-9-yl)azanium;N,N-diphenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline;4-ethenyl-N-(4-ethenylphenyl)-N-[4-(3-pyridin-2-ylbenzene-4-id-1-yl)phenyl]aniline;17-ethynyl-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene-4,5,10,11,16-pentacarbonitrile;4-hydroxypent-3-en-2-one;bis(iridium);3-methyl-2-phenylpyridine;2-phenylpyridine;tris(2,3,4,5,6-pentafluorophenyl)-(2,3,5,6-tetrafluoro-4-methylphenyl)boranuide.
Frequently Asked Questions
What is the IUPAC name of 3,4-bis[2-(2-butoxyethoxy)ethoxy]-2,5-dimethylthiophene;[4-(4-bromo-N-phenanthren-9-ylanilino)phenyl]-di(phenanthren-9-yl)azanium;N,N-diphenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline;4-ethenyl-N-(4-ethenylphenyl)-N-[4-(3-pyridin-2-ylbenzene-4-id-1-yl)phenyl]aniline;17-ethynyl-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene-4,5,10,11,16-pentacarbonitrile;4-hydroxypent-3-en-2-one;bis(iridium);3-methyl-2-phenylpyridine;2-phenylpyridine;tris(2,3,4,5,6-pentafluorophenyl)-(2,3,5,6-tetrafluoro-4-methylphenyl)boranuide?
The IUPAC name of 3,4-bis[2-(2-butoxyethoxy)ethoxy]-2,5-dimethylthiophene;[4-(4-bromo-N-phenanthren-9-ylanilino)phenyl]-di(phenanthren-9-yl)azanium;N,N-diphenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline;4-ethenyl-N-(4-ethenylphenyl)-N-[4-(3-pyridin-2-ylbenzene-4-id-1-yl)phenyl]aniline;17-ethynyl-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene-4,5,10,11,16-pentacarbonitrile;4-hydroxypent-3-en-2-one;bis(iridium);3-methyl-2-phenylpyridine;2-phenylpyridine;tris(2,3,4,5,6-pentafluorophenyl)-(2,3,5,6-tetrafluoro-4-methylphenyl)boranuide (CID 158059001) is 3,4-bis[2-(2-butoxyethoxy)ethoxy]-2,5-dimethylthiophene;[4-(4-bromo-N-phenanthren-9-ylanilino)phenyl]-di(phenanthren-9-yl)azanium;N,N-diphenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline;4-ethenyl-N-(4-ethenylphenyl)-N-[4-(3-pyridin-2-ylbenzene-4-id-1-yl)phenyl]aniline;17-ethynyl-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene-4,5,10,11,16-pentacarbonitrile;4-hydroxypent-3-en-2-one;bis(iridium);3-methyl-2-phenylpyridine;2-phenylpyridine;tris(2,3,4,5,6-pentafluorophenyl)-(2,3,5,6-tetrafluoro-4-methylphenyl)boranuide.
What is the SMILES notation for 3,4-bis[2-(2-butoxyethoxy)ethoxy]-2,5-dimethylthiophene;[4-(4-bromo-N-phenanthren-9-ylanilino)phenyl]-di(phenanthren-9-yl)azanium;N,N-diphenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline;4-ethenyl-N-(4-ethenylphenyl)-N-[4-(3-pyridin-2-ylbenzene-4-id-1-yl)phenyl]aniline;17-ethynyl-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene-4,5,10,11,16-pentacarbonitrile;4-hydroxypent-3-en-2-one;bis(iridium);3-methyl-2-phenylpyridine;2-phenylpyridine;tris(2,3,4,5,6-pentafluorophenyl)-(2,3,5,6-tetrafluoro-4-methylphenyl)boranuide?
The canonical SMILES for 3,4-bis[2-(2-butoxyethoxy)ethoxy]-2,5-dimethylthiophene;[4-(4-bromo-N-phenanthren-9-ylanilino)phenyl]-di(phenanthren-9-yl)azanium;N,N-diphenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline;4-ethenyl-N-(4-ethenylphenyl)-N-[4-(3-pyridin-2-ylbenzene-4-id-1-yl)phenyl]aniline;17-ethynyl-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene-4,5,10,11,16-pentacarbonitrile;4-hydroxypent-3-en-2-one;bis(iridium);3-methyl-2-phenylpyridine;2-phenylpyridine;tris(2,3,4,5,6-pentafluorophenyl)-(2,3,5,6-tetrafluoro-4-methylphenyl)boranuide is Brc1ccc(N(c2ccc([NH+](c3cc4ccccc4c4ccccc34)c3cc4ccccc4c4ccccc34)cc2)c2cc3ccccc3c3ccccc23)cc1.C#Cc1nc2c(nc1C#N)c1nc(C#N)c(C#N)nc1c1nc(C#N)c(C#N)nc21.C=Cc1ccc(N(c2ccc(C=C)cc2)c2ccc(-c3cc[c-]c(-c4ccccn4)c3)cc2)cc1.CC(=O)C=C(C)O.CCCCOCCOCCOc1c(C)sc(C)c1OCCOCCOCCCC.Cc1c(F)c(F)c([B-](c2c(F)c(F)c(F)c(F)c2F)(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F.Cc1cccnc1-c1[c-]cccc1.[Ir].[Ir].[c-]1ccccc1-c1ccccn1.c1ccc(N(c2ccccc2)c2ccc(-c3ccc(N(c4ccccc4)c4ccc(-c5ccc(N(c6ccccc6)c6ccc(-c7ccc(N(c8ccccc8)c8ccccc8)cc7)cc6)cc5)cc4)cc3)cc2)cc1.
What is the InChIKey of 3,4-bis[2-(2-butoxyethoxy)ethoxy]-2,5-dimethylthiophene;[4-(4-bromo-N-phenanthren-9-ylanilino)phenyl]-di(phenanthren-9-yl)azanium;N,N-diphenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline;4-ethenyl-N-(4-ethenylphenyl)-N-[4-(3-pyridin-2-ylbenzene-4-id-1-yl)phenyl]aniline;17-ethynyl-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene-4,5,10,11,16-pentacarbonitrile;4-hydroxypent-3-en-2-one;bis(iridium);3-methyl-2-phenylpyridine;2-phenylpyridine;tris(2,3,4,5,6-pentafluorophenyl)-(2,3,5,6-tetrafluoro-4-methylphenyl)boranuide?
The InChIKey is YDNUFQJIYQCLJJ-UHFFFAOYSA-O. The full InChI is InChI=1S/C72H54N4.C54H35BrN2.C33H25N2.C25H3BF19.C22H40O6S.C19HN11.C12H10N.C11H8N.C5H8O2.2Ir/c1-7-19-61(20-8-1)73(62-21-9-2-10-22-62)67-43-31-55(32-44-67)57-35-47-69(48-36-57)75(65-27-15-5-16-28-65)71-51-39-59(40-52-71)60-41-53-72(54-42-60)76(66-29-17-6-18-30-66)70-49-37-58(38-50-70)56-33-45-68(46-34-56)74(63-23-11-3-12-24-63)64-25-13-4-14-26-64;55-39-25-27-40(28-26-39)56(52-33-36-13-1-4-16-43(36)46-19-7-10-22-49(46)52)41-29-31-42(32-30-41)57(53-34-37-14-2-5-17-44(37)47-20-8-11-23-50(47)53)54-35-38-15-3-6-18-45(38)48-21-9-12-24-51(48)54;1-3-25-11-17-30(18-12-25)35(31-19-13-26(4-2)14-20-31)32-21-15-27(16-22-32)28-8-7-9-29(24-28)33-10-5-6-23-34-33;1-2-7(27)9(29)3(10(30)8(2)28)26(4-11(31)17(37)23(43)18(38)12(4)32,5-13(33)19(39)24(44)20(40)14(5)34)6-15(35)21(41)25(45)22(42)16(6)36;1-5-7-9-23-11-13-25-15-17-27-21-19(3)29-20(4)22(21)28-18-16-26-14-12-24-10-8-6-2;1-2-8-9(3-20)26-15-14(25-8)16-18(29-11(5-22)10(4-21)27-16)19-17(15)28-12(6-23)13(7-24)30-19;1-10-6-5-9-13-12(10)11-7-3-2-4-8-11;1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-4(6)3-5(2)7;;/h1-54H;1-35H;3-8,10-24H,1-2H2;1H3;5-18H2,1-4H3;1H;2-7,9H,1H3;1-6,8-9H;3,6H,1-2H3;;/q;;2*-1;;;2*-1;;;/p+1.
What are the key properties of 3,4-bis[2-(2-butoxyethoxy)ethoxy]-2,5-dimethylthiophene;[4-(4-bromo-N-phenanthren-9-ylanilino)phenyl]-di(phenanthren-9-yl)azanium;N,N-diphenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline;4-ethenyl-N-(4-ethenylphenyl)-N-[4-(3-pyridin-2-ylbenzene-4-id-1-yl)phenyl]aniline;17-ethynyl-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene-4,5,10,11,16-pentacarbonitrile;4-hydroxypent-3-en-2-one;bis(iridium);3-methyl-2-phenylpyridine;2-phenylpyridine;tris(2,3,4,5,6-pentafluorophenyl)-(2,3,5,6-tetrafluoro-4-methylphenyl)boranuide?
3,4-bis[2-(2-butoxyethoxy)ethoxy]-2,5-dimethylthiophene;[4-(4-bromo-N-phenanthren-9-ylanilino)phenyl]-di(phenanthren-9-yl)azanium;N,N-diphenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline;4-ethenyl-N-(4-ethenylphenyl)-N-[4-(3-pyridin-2-ylbenzene-4-id-1-yl)phenyl]aniline;17-ethynyl-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene-4,5,10,11,16-pentacarbonitrile;4-hydroxypent-3-en-2-one;bis(iridium);3-methyl-2-phenylpyridine;2-phenylpyridine;tris(2,3,4,5,6-pentafluorophenyl)-(2,3,5,6-tetrafluoro-4-methylphenyl)boranuide has a molecular weight of 4515.58 g/mol, XLogP of 62.65, 55 rotatable bonds, 2 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-bis[2-(2-butoxyethoxy)ethoxy]-2,5-dimethylthiophene;[4-(4-bromo-N-phenanthren-9-ylanilino)phenyl]-di(phenanthren-9-yl)azanium;N,N-diphenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline;4-ethenyl-N-(4-ethenylphenyl)-N-[4-(3-pyridin-2-ylbenzene-4-id-1-yl)phenyl]aniline;17-ethynyl-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene-4,5,10,11,16-pentacarbonitrile;4-hydroxypent-3-en-2-one;bis(iridium);3-methyl-2-phenylpyridine;2-phenylpyridine;tris(2,3,4,5,6-pentafluorophenyl)-(2,3,5,6-tetrafluoro-4-methylphenyl)boranuide is sourced from PubChem (CID 158059001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).