About 4-[5-[24-[5-[5-[4-[5-[5-[9,9,18,18,27,27-hexahexyl-15,24-bis[5-[4-(N-phenylanilino)phenyl]thiophen-2-yl]-6-heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21(26),22,24-dodecaenyl]thiophen-2-yl]thiophen-2-yl]-2,1,3-benzothiadiazol-7-yl]thiophen-2-yl]thiophen-2-yl]-9,9,18,18,27,27-hexahexyl-15-[5-[4-(N-phenylanilino)phenyl]thiophen-2-yl]-6-heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21(26),22,24-dodecaenyl]thiophen-2-yl]-N,N-diphenylaniline
4-[5-[24-[5-[5-[4-[5-[5-[9,9,18,18,27,27-hexahexyl-15,24-bis[5-[4-(N-phenylanilino)phenyl]thiophen-2-yl]-6-heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21(26),22,24-dodecaenyl]thiophen-2-yl]thiophen-2-yl]-2,1,3-benzothiadiazol-7-yl]thiophen-2-yl]thiophen-2-yl]-9,9,18,18,27,27-hexahexyl-15-[5-[4-(N-phenylanilino)phenyl]thiophen-2-yl]-6-heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21(26),22,24-dodecaenyl]thiophen-2-yl]-N,N-diphenylaniline (PubChem CID 139250438) has the molecular formula C236H248N6S9
and a molecular weight of 3457.22 g/mol. Its IUPAC name is 4-[5-[24-[5-[5-[4-[5-[5-[9,9,18,18,27,27-hexahexyl-15,24-bis[5-[4-(N-phenylanilino)phenyl]thiophen-2-yl]-6-heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21(26),22,24-dodecaenyl]thiophen-2-yl]thiophen-2-yl]-2,1,3-benzothiadiazol-7-yl]thiophen-2-yl]thiophen-2-yl]-9,9,18,18,27,27-hexahexyl-15-[5-[4-(N-phenylanilino)phenyl]thiophen-2-yl]-6-heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21(26),22,24-dodecaenyl]thiophen-2-yl]-N,N-diphenylaniline.
Frequently Asked Questions
What is the IUPAC name of 4-[5-[24-[5-[5-[4-[5-[5-[9,9,18,18,27,27-hexahexyl-15,24-bis[5-[4-(N-phenylanilino)phenyl]thiophen-2-yl]-6-heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21(26),22,24-dodecaenyl]thiophen-2-yl]thiophen-2-yl]-2,1,3-benzothiadiazol-7-yl]thiophen-2-yl]thiophen-2-yl]-9,9,18,18,27,27-hexahexyl-15-[5-[4-(N-phenylanilino)phenyl]thiophen-2-yl]-6-heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21(26),22,24-dodecaenyl]thiophen-2-yl]-N,N-diphenylaniline?
The IUPAC name of 4-[5-[24-[5-[5-[4-[5-[5-[9,9,18,18,27,27-hexahexyl-15,24-bis[5-[4-(N-phenylanilino)phenyl]thiophen-2-yl]-6-heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21(26),22,24-dodecaenyl]thiophen-2-yl]thiophen-2-yl]-2,1,3-benzothiadiazol-7-yl]thiophen-2-yl]thiophen-2-yl]-9,9,18,18,27,27-hexahexyl-15-[5-[4-(N-phenylanilino)phenyl]thiophen-2-yl]-6-heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21(26),22,24-dodecaenyl]thiophen-2-yl]-N,N-diphenylaniline (CID 139250438) is 4-[5-[24-[5-[5-[4-[5-[5-[9,9,18,18,27,27-hexahexyl-15,24-bis[5-[4-(N-phenylanilino)phenyl]thiophen-2-yl]-6-heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21(26),22,24-dodecaenyl]thiophen-2-yl]thiophen-2-yl]-2,1,3-benzothiadiazol-7-yl]thiophen-2-yl]thiophen-2-yl]-9,9,18,18,27,27-hexahexyl-15-[5-[4-(N-phenylanilino)phenyl]thiophen-2-yl]-6-heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21(26),22,24-dodecaenyl]thiophen-2-yl]-N,N-diphenylaniline.
What is the SMILES notation for 4-[5-[24-[5-[5-[4-[5-[5-[9,9,18,18,27,27-hexahexyl-15,24-bis[5-[4-(N-phenylanilino)phenyl]thiophen-2-yl]-6-heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21(26),22,24-dodecaenyl]thiophen-2-yl]thiophen-2-yl]-2,1,3-benzothiadiazol-7-yl]thiophen-2-yl]thiophen-2-yl]-9,9,18,18,27,27-hexahexyl-15-[5-[4-(N-phenylanilino)phenyl]thiophen-2-yl]-6-heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21(26),22,24-dodecaenyl]thiophen-2-yl]-N,N-diphenylaniline?
The canonical SMILES for 4-[5-[24-[5-[5-[4-[5-[5-[9,9,18,18,27,27-hexahexyl-15,24-bis[5-[4-(N-phenylanilino)phenyl]thiophen-2-yl]-6-heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21(26),22,24-dodecaenyl]thiophen-2-yl]thiophen-2-yl]-2,1,3-benzothiadiazol-7-yl]thiophen-2-yl]thiophen-2-yl]-9,9,18,18,27,27-hexahexyl-15-[5-[4-(N-phenylanilino)phenyl]thiophen-2-yl]-6-heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21(26),22,24-dodecaenyl]thiophen-2-yl]-N,N-diphenylaniline is CCCCCCC1(CCCCCC)c2cc(-c3ccc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)s3)ccc2-c2c1c1c(c3c2C(CCCCCC)(CCCCCC)c2cc(-c4ccc(-c5ccc(-c6ccc(-c7ccc(-c8ccc(-c9ccc%10c(c9)C(CCCCCC)(CCCCCC)c9c%11c(c%12c(c9-%10)C(CCCCCC)(CCCCCC)c9cc(-c%10ccc(-c%13ccc(N(c%14ccccc%14)c%14ccccc%14)cc%13)s%10)ccc9-%12)C(CCCCCC)(CCCCCC)c9cc(-c%10ccc(-c%12ccc(N(c%13ccccc%13)c%13ccccc%13)cc%12)s%10)ccc9-%11)s8)s7)c7nsnc67)s5)s4)ccc2-3)C(CCCCCC)(CCCCCC)c2cc(-c3ccc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)s3)ccc2-1.
What is the InChIKey of 4-[5-[24-[5-[5-[4-[5-[5-[9,9,18,18,27,27-hexahexyl-15,24-bis[5-[4-(N-phenylanilino)phenyl]thiophen-2-yl]-6-heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21(26),22,24-dodecaenyl]thiophen-2-yl]thiophen-2-yl]-2,1,3-benzothiadiazol-7-yl]thiophen-2-yl]thiophen-2-yl]-9,9,18,18,27,27-hexahexyl-15-[5-[4-(N-phenylanilino)phenyl]thiophen-2-yl]-6-heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21(26),22,24-dodecaenyl]thiophen-2-yl]-N,N-diphenylaniline?
The InChIKey is LCCIGEFAJXAIPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C236H248N6S9/c1-13-25-37-73-147-231(148-74-38-26-14-2)197-161-171(207-137-133-203(245-207)167-105-119-185(120-106-167)241(179-93-65-53-66-94-179)180-95-67-54-68-96-180)111-125-189(197)219-223(231)217-187-123-109-169(205-135-131-201(243-205)165-101-115-183(116-102-165)239(175-85-57-49-58-86-175)176-87-59-50-60-88-176)159-195(187)233(151-77-41-29-17-5,152-78-42-30-18-6)225(217)221-191-127-113-173(163-199(191)235(227(219)221,155-81-45-33-21-9)156-82-46-34-22-10)209-139-143-213(247-209)215-145-141-211(249-215)193-129-130-194(230-229(193)237-251-238-230)212-142-146-216(250-212)214-144-140-210(248-214)174-114-128-192-200(164-174)236(157-83-47-35-23-11,158-84-48-36-24-12)228-220-190-126-112-172(208-138-134-204(246-208)168-107-121-186(122-108-168)242(181-97-69-55-70-98-181)182-99-71-56-72-100-182)162-198(190)232(149-75-39-27-15-3,150-76-40-28-16-4)224(220)218-188-124-110-170(160-196(188)234(226(218)222(192)228,153-79-43-31-19-7)154-80-44-32-20-8)206-136-132-202(244-206)166-103-117-184(118-104-166)240(177-89-61-51-62-90-177)178-91-63-52-64-92-178/h49-72,85-146,159-164H,13-48,73-84,147-158H2,1-12H3.
What are the key properties of 4-[5-[24-[5-[5-[4-[5-[5-[9,9,18,18,27,27-hexahexyl-15,24-bis[5-[4-(N-phenylanilino)phenyl]thiophen-2-yl]-6-heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21(26),22,24-dodecaenyl]thiophen-2-yl]thiophen-2-yl]-2,1,3-benzothiadiazol-7-yl]thiophen-2-yl]thiophen-2-yl]-9,9,18,18,27,27-hexahexyl-15-[5-[4-(N-phenylanilino)phenyl]thiophen-2-yl]-6-heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21(26),22,24-dodecaenyl]thiophen-2-yl]-N,N-diphenylaniline?
4-[5-[24-[5-[5-[4-[5-[5-[9,9,18,18,27,27-hexahexyl-15,24-bis[5-[4-(N-phenylanilino)phenyl]thiophen-2-yl]-6-heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21(26),22,24-dodecaenyl]thiophen-2-yl]thiophen-2-yl]-2,1,3-benzothiadiazol-7-yl]thiophen-2-yl]thiophen-2-yl]-9,9,18,18,27,27-hexahexyl-15-[5-[4-(N-phenylanilino)phenyl]thiophen-2-yl]-6-heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21(26),22,24-dodecaenyl]thiophen-2-yl]-N,N-diphenylaniline has a molecular weight of 3457.22 g/mol, XLogP of 76.64, 86 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[24-[5-[5-[4-[5-[5-[9,9,18,18,27,27-hexahexyl-15,24-bis[5-[4-(N-phenylanilino)phenyl]thiophen-2-yl]-6-heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21(26),22,24-dodecaenyl]thiophen-2-yl]thiophen-2-yl]-2,1,3-benzothiadiazol-7-yl]thiophen-2-yl]thiophen-2-yl]-9,9,18,18,27,27-hexahexyl-15-[5-[4-(N-phenylanilino)phenyl]thiophen-2-yl]-6-heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21(26),22,24-dodecaenyl]thiophen-2-yl]-N,N-diphenylaniline is sourced from PubChem (CID 139250438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).