About 4-[5-[4-[5-[7-[4,8-bis(2-ethylhexoxy)-6-methylthieno[2,3-f][1]benzothiol-2-yl]-5-dodecoxy-6-methyl-2,1,3-benzothiadiazol-4-yl]thiophen-2-yl]-2,3-difluorophenyl]thiophen-2-yl]-6-dodecoxy-5,7-dimethyl-2,1,3-benzothiadiazole;4-[5-[4-[5-[7-[4,8-bis[3-(2-ethylhexoxy)phenyl]-6-methylthieno[2,3-f][1]benzothiol-2-yl]-5-dodecoxy-6-methyl-2,1,3-benzothiadiazol-4-yl]thiophen-2-yl]-2,3-difluorophenyl]thiophen-2-yl]-6-dodecoxy-5,7-dimethyl-2,1,3-benzothiadiazole;N-[2-[5-[4-[5-[7-[4,8-bis[5-(2-ethylhexyl)thiophen-2-yl]-6-methylthieno[2,3-f][1]benzothiol-2-yl]-5-dodecoxy-6-methyl-2,1,3-benzoselenadiazol-4-yl]thiophen-2-yl]-2,3-difluorophenyl]thiophen-2-yl]-4-dodecoxy-6-imino-3,5-dimethylcyclohexa-2,4-dien-1-ylidene]selenohydroxylamine
4-[5-[4-[5-[7-[4,8-bis(2-ethylhexoxy)-6-methylthieno[2,3-f][1]benzothiol-2-yl]-5-dodecoxy-6-methyl-2,1,3-benzothiadiazol-4-yl]thiophen-2-yl]-2,3-difluorophenyl]thiophen-2-yl]-6-dodecoxy-5,7-dimethyl-2,1,3-benzothiadiazole;4-[5-[4-[5-[7-[4,8-bis[3-(2-ethylhexoxy)phenyl]-6-methylthieno[2,3-f][1]benzothiol-2-yl]-5-dodecoxy-6-methyl-2,1,3-benzothiadiazol-4-yl]thiophen-2-yl]-2,3-difluorophenyl]thiophen-2-yl]-6-dodecoxy-5,7-dimethyl-2,1,3-benzothiadiazole;N-[2-[5-[4-[5-[7-[4,8-bis[5-(2-ethylhexyl)thiophen-2-yl]-6-methylthieno[2,3-f][1]benzothiol-2-yl]-5-dodecoxy-6-methyl-2,1,3-benzoselenadiazol-4-yl]thiophen-2-yl]-2,3-difluorophenyl]thiophen-2-yl]-4-dodecoxy-6-imino-3,5-dimethylcyclohexa-2,4-dien-1-ylidene]selenohydroxylamine (PubChem CID 159789867) has the molecular formula C260H326F6N12O10S18Se2
and a molecular weight of 4628.66 g/mol. Its IUPAC name is 4-[5-[4-[5-[7-[4,8-bis(2-ethylhexoxy)-6-methylthieno[2,3-f][1]benzothiol-2-yl]-5-dodecoxy-6-methyl-2,1,3-benzothiadiazol-4-yl]thiophen-2-yl]-2,3-difluorophenyl]thiophen-2-yl]-6-dodecoxy-5,7-dimethyl-2,1,3-benzothiadiazole;4-[5-[4-[5-[7-[4,8-bis[3-(2-ethylhexoxy)phenyl]-6-methylthieno[2,3-f][1]benzothiol-2-yl]-5-dodecoxy-6-methyl-2,1,3-benzothiadiazol-4-yl]thiophen-2-yl]-2,3-difluorophenyl]thiophen-2-yl]-6-dodecoxy-5,7-dimethyl-2,1,3-benzothiadiazole;N-[2-[5-[4-[5-[7-[4,8-bis[5-(2-ethylhexyl)thiophen-2-yl]-6-methylthieno[2,3-f][1]benzothiol-2-yl]-5-dodecoxy-6-methyl-2,1,3-benzoselenadiazol-4-yl]thiophen-2-yl]-2,3-difluorophenyl]thiophen-2-yl]-4-dodecoxy-6-imino-3,5-dimethylcyclohexa-2,4-dien-1-ylidene]selenohydroxylamine.
Frequently Asked Questions
What is the IUPAC name of 4-[5-[4-[5-[7-[4,8-bis(2-ethylhexoxy)-6-methylthieno[2,3-f][1]benzothiol-2-yl]-5-dodecoxy-6-methyl-2,1,3-benzothiadiazol-4-yl]thiophen-2-yl]-2,3-difluorophenyl]thiophen-2-yl]-6-dodecoxy-5,7-dimethyl-2,1,3-benzothiadiazole;4-[5-[4-[5-[7-[4,8-bis[3-(2-ethylhexoxy)phenyl]-6-methylthieno[2,3-f][1]benzothiol-2-yl]-5-dodecoxy-6-methyl-2,1,3-benzothiadiazol-4-yl]thiophen-2-yl]-2,3-difluorophenyl]thiophen-2-yl]-6-dodecoxy-5,7-dimethyl-2,1,3-benzothiadiazole;N-[2-[5-[4-[5-[7-[4,8-bis[5-(2-ethylhexyl)thiophen-2-yl]-6-methylthieno[2,3-f][1]benzothiol-2-yl]-5-dodecoxy-6-methyl-2,1,3-benzoselenadiazol-4-yl]thiophen-2-yl]-2,3-difluorophenyl]thiophen-2-yl]-4-dodecoxy-6-imino-3,5-dimethylcyclohexa-2,4-dien-1-ylidene]selenohydroxylamine?
The IUPAC name of 4-[5-[4-[5-[7-[4,8-bis(2-ethylhexoxy)-6-methylthieno[2,3-f][1]benzothiol-2-yl]-5-dodecoxy-6-methyl-2,1,3-benzothiadiazol-4-yl]thiophen-2-yl]-2,3-difluorophenyl]thiophen-2-yl]-6-dodecoxy-5,7-dimethyl-2,1,3-benzothiadiazole;4-[5-[4-[5-[7-[4,8-bis[3-(2-ethylhexoxy)phenyl]-6-methylthieno[2,3-f][1]benzothiol-2-yl]-5-dodecoxy-6-methyl-2,1,3-benzothiadiazol-4-yl]thiophen-2-yl]-2,3-difluorophenyl]thiophen-2-yl]-6-dodecoxy-5,7-dimethyl-2,1,3-benzothiadiazole;N-[2-[5-[4-[5-[7-[4,8-bis[5-(2-ethylhexyl)thiophen-2-yl]-6-methylthieno[2,3-f][1]benzothiol-2-yl]-5-dodecoxy-6-methyl-2,1,3-benzoselenadiazol-4-yl]thiophen-2-yl]-2,3-difluorophenyl]thiophen-2-yl]-4-dodecoxy-6-imino-3,5-dimethylcyclohexa-2,4-dien-1-ylidene]selenohydroxylamine (CID 159789867) is 4-[5-[4-[5-[7-[4,8-bis(2-ethylhexoxy)-6-methylthieno[2,3-f][1]benzothiol-2-yl]-5-dodecoxy-6-methyl-2,1,3-benzothiadiazol-4-yl]thiophen-2-yl]-2,3-difluorophenyl]thiophen-2-yl]-6-dodecoxy-5,7-dimethyl-2,1,3-benzothiadiazole;4-[5-[4-[5-[7-[4,8-bis[3-(2-ethylhexoxy)phenyl]-6-methylthieno[2,3-f][1]benzothiol-2-yl]-5-dodecoxy-6-methyl-2,1,3-benzothiadiazol-4-yl]thiophen-2-yl]-2,3-difluorophenyl]thiophen-2-yl]-6-dodecoxy-5,7-dimethyl-2,1,3-benzothiadiazole;N-[2-[5-[4-[5-[7-[4,8-bis[5-(2-ethylhexyl)thiophen-2-yl]-6-methylthieno[2,3-f][1]benzothiol-2-yl]-5-dodecoxy-6-methyl-2,1,3-benzoselenadiazol-4-yl]thiophen-2-yl]-2,3-difluorophenyl]thiophen-2-yl]-4-dodecoxy-6-imino-3,5-dimethylcyclohexa-2,4-dien-1-ylidene]selenohydroxylamine.
What is the SMILES notation for 4-[5-[4-[5-[7-[4,8-bis(2-ethylhexoxy)-6-methylthieno[2,3-f][1]benzothiol-2-yl]-5-dodecoxy-6-methyl-2,1,3-benzothiadiazol-4-yl]thiophen-2-yl]-2,3-difluorophenyl]thiophen-2-yl]-6-dodecoxy-5,7-dimethyl-2,1,3-benzothiadiazole;4-[5-[4-[5-[7-[4,8-bis[3-(2-ethylhexoxy)phenyl]-6-methylthieno[2,3-f][1]benzothiol-2-yl]-5-dodecoxy-6-methyl-2,1,3-benzothiadiazol-4-yl]thiophen-2-yl]-2,3-difluorophenyl]thiophen-2-yl]-6-dodecoxy-5,7-dimethyl-2,1,3-benzothiadiazole;N-[2-[5-[4-[5-[7-[4,8-bis[5-(2-ethylhexyl)thiophen-2-yl]-6-methylthieno[2,3-f][1]benzothiol-2-yl]-5-dodecoxy-6-methyl-2,1,3-benzoselenadiazol-4-yl]thiophen-2-yl]-2,3-difluorophenyl]thiophen-2-yl]-4-dodecoxy-6-imino-3,5-dimethylcyclohexa-2,4-dien-1-ylidene]selenohydroxylamine?
The canonical SMILES for 4-[5-[4-[5-[7-[4,8-bis(2-ethylhexoxy)-6-methylthieno[2,3-f][1]benzothiol-2-yl]-5-dodecoxy-6-methyl-2,1,3-benzothiadiazol-4-yl]thiophen-2-yl]-2,3-difluorophenyl]thiophen-2-yl]-6-dodecoxy-5,7-dimethyl-2,1,3-benzothiadiazole;4-[5-[4-[5-[7-[4,8-bis[3-(2-ethylhexoxy)phenyl]-6-methylthieno[2,3-f][1]benzothiol-2-yl]-5-dodecoxy-6-methyl-2,1,3-benzothiadiazol-4-yl]thiophen-2-yl]-2,3-difluorophenyl]thiophen-2-yl]-6-dodecoxy-5,7-dimethyl-2,1,3-benzothiadiazole;N-[2-[5-[4-[5-[7-[4,8-bis[5-(2-ethylhexyl)thiophen-2-yl]-6-methylthieno[2,3-f][1]benzothiol-2-yl]-5-dodecoxy-6-methyl-2,1,3-benzoselenadiazol-4-yl]thiophen-2-yl]-2,3-difluorophenyl]thiophen-2-yl]-4-dodecoxy-6-imino-3,5-dimethylcyclohexa-2,4-dien-1-ylidene]selenohydroxylamine is CCCCCCCCCCCCOc1c(C)c(-c2ccc(-c3ccc(-c4ccc(-c5c(OCCCCCCCCCCCC)c(C)c(-c6cc7c(-c8cccc(OCC(CC)CCCC)c8)c8sc(C)cc8c(-c8cccc(OCC(CC)CCCC)c8)c7s6)c6nsnc56)s4)c(F)c3F)s2)c2nsnc2c1C.CCCCCCCCCCCCOc1c(C)c(-c2ccc(-c3ccc(-c4ccc(-c5c(OCCCCCCCCCCCC)c(C)c(-c6cc7c(OCC(CC)CCCC)c8sc(C)cc8c(OCC(CC)CCCC)c7s6)c6nsnc56)s4)c(F)c3F)s2)c2nsnc2c1C.[H]/N=C1/C(=N[SeH])C(c2ccc(-c3ccc(-c4ccc(-c5c(OCCCCCCCCCCCC)c(C)c(-c6cc7c(-c8ccc(CC(CC)CCCC)s8)c8sc(C)cc8c(-c8ccc(CC(CC)CCCC)s8)c7s6)c6n[se]nc56)s4)c(F)c3F)s2)=C(C)C(OCCCCCCCCCCCC)=C1C.
What is the InChIKey of 4-[5-[4-[5-[7-[4,8-bis(2-ethylhexoxy)-6-methylthieno[2,3-f][1]benzothiol-2-yl]-5-dodecoxy-6-methyl-2,1,3-benzothiadiazol-4-yl]thiophen-2-yl]-2,3-difluorophenyl]thiophen-2-yl]-6-dodecoxy-5,7-dimethyl-2,1,3-benzothiadiazole;4-[5-[4-[5-[7-[4,8-bis[3-(2-ethylhexoxy)phenyl]-6-methylthieno[2,3-f][1]benzothiol-2-yl]-5-dodecoxy-6-methyl-2,1,3-benzothiadiazol-4-yl]thiophen-2-yl]-2,3-difluorophenyl]thiophen-2-yl]-6-dodecoxy-5,7-dimethyl-2,1,3-benzothiadiazole;N-[2-[5-[4-[5-[7-[4,8-bis[5-(2-ethylhexyl)thiophen-2-yl]-6-methylthieno[2,3-f][1]benzothiol-2-yl]-5-dodecoxy-6-methyl-2,1,3-benzoselenadiazol-4-yl]thiophen-2-yl]-2,3-difluorophenyl]thiophen-2-yl]-4-dodecoxy-6-imino-3,5-dimethylcyclohexa-2,4-dien-1-ylidene]selenohydroxylamine?
The InChIKey is NIKQIFFOJSKNJN-AHZJVMOUSA-N. The full InChI is InChI=1S/C92H112F2N4O4S6.C88H110F2N4O2S6Se2.C80H104F2N4O4S6/c1-11-17-21-23-25-27-29-31-33-35-51-99-89-60(8)78(86-85(62(89)10)95-107-96-86)75-49-47-73(104-75)69-45-46-70(84(94)83(69)93)74-48-50-76(105-74)82-88-87(97-108-98-88)79(61(9)90(82)100-52-36-34-32-30-28-26-24-22-18-12-2)77-56-72-81(66-42-38-44-68(55-66)102-58-64(16-6)40-20-14-4)91-71(53-59(7)103-91)80(92(72)106-77)65-41-37-43-67(54-65)101-57-63(15-5)39-19-13-3;1-11-17-21-23-25-27-29-31-33-35-49-95-85-56(8)74(82(92-103)81(91)58(85)10)69-47-45-67(100-69)63-41-42-64(80(90)79(63)89)68-46-48-72(101-68)78-84-83(93-104-94-84)75(57(9)86(78)96-50-36-34-32-30-28-26-24-22-18-12-2)73-54-66-77(71-44-40-62(99-71)53-60(16-6)38-20-14-4)87-65(51-55(7)97-87)76(88(66)102-73)70-43-39-61(98-70)52-59(15-5)37-19-13-3;1-11-17-21-23-25-27-29-31-33-35-45-87-75-52(8)66(72-71(54(75)10)83-95-84-72)63-43-41-61(92-63)57-39-40-58(70(82)69(57)81)62-42-44-64(93-62)68-74-73(85-96-86-74)67(53(9)76(68)88-46-36-34-32-30-28-26-24-22-18-12-2)65-48-60-78(90-50-56(16-6)38-20-14-4)79-59(47-51(7)91-79)77(80(60)94-65)89-49-55(15-5)37-19-13-3/h37-38,41-50,53-56,63-64H,11-36,39-40,51-52,57-58H2,1-10H3;39-48,51,54,59-60,91,103H,11-38,49-50,52-53H2,1-10H3;39-44,47-48,55-56H,11-38,45-46,49-50H2,1-10H3/b;91-81+,92-82?;.
What are the key properties of 4-[5-[4-[5-[7-[4,8-bis(2-ethylhexoxy)-6-methylthieno[2,3-f][1]benzothiol-2-yl]-5-dodecoxy-6-methyl-2,1,3-benzothiadiazol-4-yl]thiophen-2-yl]-2,3-difluorophenyl]thiophen-2-yl]-6-dodecoxy-5,7-dimethyl-2,1,3-benzothiadiazole;4-[5-[4-[5-[7-[4,8-bis[3-(2-ethylhexoxy)phenyl]-6-methylthieno[2,3-f][1]benzothiol-2-yl]-5-dodecoxy-6-methyl-2,1,3-benzothiadiazol-4-yl]thiophen-2-yl]-2,3-difluorophenyl]thiophen-2-yl]-6-dodecoxy-5,7-dimethyl-2,1,3-benzothiadiazole;N-[2-[5-[4-[5-[7-[4,8-bis[5-(2-ethylhexyl)thiophen-2-yl]-6-methylthieno[2,3-f][1]benzothiol-2-yl]-5-dodecoxy-6-methyl-2,1,3-benzoselenadiazol-4-yl]thiophen-2-yl]-2,3-difluorophenyl]thiophen-2-yl]-4-dodecoxy-6-imino-3,5-dimethylcyclohexa-2,4-dien-1-ylidene]selenohydroxylamine?
4-[5-[4-[5-[7-[4,8-bis(2-ethylhexoxy)-6-methylthieno[2,3-f][1]benzothiol-2-yl]-5-dodecoxy-6-methyl-2,1,3-benzothiadiazol-4-yl]thiophen-2-yl]-2,3-difluorophenyl]thiophen-2-yl]-6-dodecoxy-5,7-dimethyl-2,1,3-benzothiadiazole;4-[5-[4-[5-[7-[4,8-bis[3-(2-ethylhexoxy)phenyl]-6-methylthieno[2,3-f][1]benzothiol-2-yl]-5-dodecoxy-6-methyl-2,1,3-benzothiadiazol-4-yl]thiophen-2-yl]-2,3-difluorophenyl]thiophen-2-yl]-6-dodecoxy-5,7-dimethyl-2,1,3-benzothiadiazole;N-[2-[5-[4-[5-[7-[4,8-bis[5-(2-ethylhexyl)thiophen-2-yl]-6-methylthieno[2,3-f][1]benzothiol-2-yl]-5-dodecoxy-6-methyl-2,1,3-benzoselenadiazol-4-yl]thiophen-2-yl]-2,3-difluorophenyl]thiophen-2-yl]-4-dodecoxy-6-imino-3,5-dimethylcyclohexa-2,4-dien-1-ylidene]selenohydroxylamine has a molecular weight of 4628.66 g/mol, XLogP of 88.46, 131 rotatable bonds, 1 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[4-[5-[7-[4,8-bis(2-ethylhexoxy)-6-methylthieno[2,3-f][1]benzothiol-2-yl]-5-dodecoxy-6-methyl-2,1,3-benzothiadiazol-4-yl]thiophen-2-yl]-2,3-difluorophenyl]thiophen-2-yl]-6-dodecoxy-5,7-dimethyl-2,1,3-benzothiadiazole;4-[5-[4-[5-[7-[4,8-bis[3-(2-ethylhexoxy)phenyl]-6-methylthieno[2,3-f][1]benzothiol-2-yl]-5-dodecoxy-6-methyl-2,1,3-benzothiadiazol-4-yl]thiophen-2-yl]-2,3-difluorophenyl]thiophen-2-yl]-6-dodecoxy-5,7-dimethyl-2,1,3-benzothiadiazole;N-[2-[5-[4-[5-[7-[4,8-bis[5-(2-ethylhexyl)thiophen-2-yl]-6-methylthieno[2,3-f][1]benzothiol-2-yl]-5-dodecoxy-6-methyl-2,1,3-benzoselenadiazol-4-yl]thiophen-2-yl]-2,3-difluorophenyl]thiophen-2-yl]-4-dodecoxy-6-imino-3,5-dimethylcyclohexa-2,4-dien-1-ylidene]selenohydroxylamine is sourced from PubChem (CID 159789867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).