C280H298F16O30S14 — CID 59827361
1-[4-[6-[4-[2-[4-[2-[4-[[4-[2,2-bis[[4-[2,2-bis[[4-[6-[4-(4-butoxy-2,3-difluorophenyl)phenoxy]hexoxy]phenyl]sulfanyl]ethoxy]phenyl]sulfanyl]ethoxy]phenyl]sulfanyl-(4-methylphenyl)methyl]sulfanylphenoxy]-1-[4-[2,2-bis[[4-[6-[4-(4-butoxy-2,3-difluorophenyl)phenoxy]hexoxy]phenyl]sulfanyl]ethoxy]phenyl]sulfanylethyl]sulfanylphenoxy]-1-[4-[6-[4-(4-butoxy-2,3-difluorophenyl)phenoxy]hexoxy]phenyl]sulfanylethyl]sulfanylphenoxy]hexoxy]phenyl]-4-butoxy-2,3-difluorobenzene (PubChem CID 59827361) has the molecular formula C280H298F16O30S14 and a molecular weight of 4896.34 g/mol. Its IUPAC name is 1-[4-[6-[4-[2-[4-[2-[4-[[4-[2,2-bis[[4-[2,2-bis[[4-[6-[4-(4-butoxy-2,3-difluorophenyl)phenoxy]hexoxy]phenyl]sulfanyl]ethoxy]phenyl]sulfanyl]ethoxy]phenyl]sulfanyl-(4-methylphenyl)methyl]sulfanylphenoxy]-1-[4-[2,2-bis[[4-[6-[4-(4-butoxy-2,3-difluorophenyl)phenoxy]hexoxy]phenyl]sulfanyl]ethoxy]phenyl]sulfanylethyl]sulfanylphenoxy]-1-[4-[6-[4-(4-butoxy-2,3-difluorophenyl)phenoxy]hexoxy]phenyl]sulfanylethyl]sulfanylphenoxy]hexoxy]phenyl]-4-butoxy-2,3-difluorobenzene.
| Compound Name | 1-[4-[6-[4-[2-[4-[2-[4-[[4-[2,2-bis[[4-[2,2-bis[[4-[6-[4-(4-butoxy-2,3-difluorophenyl)phenoxy]hexoxy]phenyl]sulfanyl]ethoxy]phenyl]sulfanyl]ethoxy]phenyl]sulfanyl-(4-methylphenyl)methyl]sulfanylphenoxy]-1-[4-[2,2-bis[[4-[6-[4-(4-butoxy-2,3-difluorophenyl)phenoxy]hexoxy]phenyl]sulfanyl]ethoxy]phenyl]sulfanylethyl]sulfanylphenoxy]-1-[4-[6-[4-(4-butoxy-2,3-difluorophenyl)phenoxy]hexoxy]phenyl]sulfanylethyl]sulfanylphenoxy]hexoxy]phenyl]-4-butoxy-2,3-difluorobenzene |
|---|---|
| PubChem CID | 59827361 |
| Molecular Formula | C280H298F16O30S14 |
| Molecular Weight | 4896.34 g/mol |
| Exact Mass | 4891.76 |
| IUPAC Name | 1-[4-[6-[4-[2-[4-[2-[4-[[4-[2,2-bis[[4-[2,2-bis[[4-[6-[4-(4-butoxy-2,3-difluorophenyl)phenoxy]hexoxy]phenyl]sulfanyl]ethoxy]phenyl]sulfanyl]ethoxy]phenyl]sulfanyl-(4-methylphenyl)methyl]sulfanylphenoxy]-1-[4-[2,2-bis[[4-[6-[4-(4-butoxy-2,3-difluorophenyl)phenoxy]hexoxy]phenyl]sulfanyl]ethoxy]phenyl]sulfanylethyl]sulfanylphenoxy]-1-[4-[6-[4-(4-butoxy-2,3-difluorophenyl)phenoxy]hexoxy]phenyl]sulfanylethyl]sulfanylphenoxy]hexoxy]phenyl]-4-butoxy-2,3-difluorobenzene |
| SMILES | CCCCOc1ccc(-c2ccc(OCCCCCCOc3ccc(SC(COc4ccc(SC(COc5ccc(SC(Sc6ccc(OCC(Sc7ccc(OCC(Sc8ccc(OCCCCCCOc9ccc(-c%10ccc(OCCCC)c(F)c%10F)cc9)cc8)Sc8ccc(OCCCCCCOc9ccc(-c%10ccc(OCCCC)c(F)c%10F)cc9)cc8)cc7)Sc7ccc(OCC(Sc8ccc(OCCCCCCOc9ccc(-c%10ccc(OCCCC)c(F)c%10F)cc9)cc8)Sc8ccc(OCCCCCCOc9ccc(-c%10ccc(OCCCC)c(F)c%10F)cc9)cc8)cc7)cc6)c6ccc(C)cc6)cc5)Sc5ccc(OCC(Sc6ccc(OCCCCCCOc7ccc(-c8ccc(OCCCC)c(F)c8F)cc7)cc6)Sc6ccc(OCCCCCCOc7ccc(-c8ccc(OCCCC)c(F)c8F)cc7)cc6)cc5)cc4)Sc4ccc(OCCCCCCOc5ccc(-c6ccc(OCCCC)c(F)c6F)cc5)cc4)cc3)cc2)c(F)c1F |
| InChI | InChI=1S/C280H298F16O30S14/c1-10-18-166-313-250-158-150-242(264(281)272(250)289)197-62-78-206(79-63-197)297-174-42-26-34-50-182-305-214-94-122-228(123-95-214)327-258(328-229-124-96-215(97-125-229)306-183-51-35-27-43-175-298-207-80-64-198(65-81-207)243-151-159-251(273(290)265(243)282)314-167-19-11-2)190-321-222-110-138-236(139-111-222)335-262(336-237-140-112-223(113-141-237)322-191-259(329-230-126-98-216(99-127-230)307-184-52-36-28-44-176-299-208-82-66-199(67-83-208)244-152-160-252(274(291)266(244)283)315-168-20-12-3)330-231-128-100-217(101-129-231)308-185-53-37-29-45-177-300-209-84-68-200(69-85-209)245-153-161-253(275(292)267(245)284)316-169-21-13-4)194-325-226-118-146-240(147-119-226)339-280(205-60-58-196(9)59-61-205)340-241-148-120-227(121-149-241)326-195-263(337-238-142-114-224(115-143-238)323-192-260(331-232-130-102-218(103-131-232)309-186-54-38-30-46-178-301-210-86-70-201(71-87-210)246-154-162-254(276(293)268(246)285)317-170-22-14-5)332-233-132-104-219(105-133-233)310-187-55-39-31-47-179-302-211-88-72-202(73-89-211)247-155-163-255(277(294)269(247)286)318-171-23-15-6)338-239-144-116-225(117-145-239)324-193-261(333-234-134-106-220(107-135-234)311-188-56-40-32-48-180-303-212-90-74-203(75-91-212)248-156-164-256(278(295)270(248)287)319-172-24-16-7)334-235-136-108-221(109-137-235)312-189-57-41-33-49-181-304-213-92-76-204(77-93-213)249-157-165-257(279(296)271(249)288)320-173-25-17-8/h58-165,258-263,280H,10-57,166-195H2,1-9H3 |
| InChIKey | CHRFRNVSOBJYFZ-UHFFFAOYSA-N |
| XLogP | 81.45 |
| TPSA | 276.90 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 44 |
| Rotatable Bonds | 159 |
| Heavy Atoms | 340 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4896.34 |
| LogP ≤ 5 | 81.45 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 44 |