C274H294F16O30S14 — CID 59827384
1-[4-[6-[4-[2-[4-[2-[4-[1-[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]sulfanylethylsulfanyl]phenoxy]-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 59827384) has the molecular formula C274H294F16O30S14 and a molecular weight of 4820.24 g/mol. Its IUPAC name is 1-[4-[6-[4-[2-[4-[2-[4-[1-[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]sulfanylethylsulfanyl]phenoxy]-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-[1-[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]sulfanylethylsulfanyl]phenoxy]-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 | 59827384 |
| Molecular Formula | C274H294F16O30S14 |
| Molecular Weight | 4820.24 g/mol |
| Exact Mass | 4815.73 |
| IUPAC Name | 1-[4-[6-[4-[2-[4-[2-[4-[1-[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]sulfanylethylsulfanyl]phenoxy]-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(C)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)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/C274H294F16O30S14/c1-10-18-162-307-245-154-146-237(259(275)267(245)283)193-58-74-201(75-59-193)291-170-42-26-34-50-178-299-209-90-122-225(123-91-209)323-253(324-226-124-92-210(93-125-226)300-179-51-35-27-43-171-292-202-76-60-194(61-77-202)238-147-155-246(268(284)260(238)276)308-163-19-11-2)188-317-219-110-138-233(139-111-219)331-257(332-234-140-112-220(113-141-234)318-189-254(325-227-126-94-211(95-127-227)301-180-52-36-28-44-172-293-203-78-62-195(63-79-203)239-148-156-247(269(285)261(239)277)309-164-20-12-3)326-228-128-96-212(97-129-228)302-181-53-37-29-45-173-294-204-80-64-196(65-81-204)240-149-157-248(270(286)262(240)278)310-165-21-13-4)186-315-217-106-118-223(119-107-217)321-192(9)322-224-120-108-218(109-121-224)316-187-258(333-235-142-114-221(115-143-235)319-190-255(327-229-130-98-213(99-131-229)303-182-54-38-30-46-174-295-205-82-66-197(67-83-205)241-150-158-249(271(287)263(241)279)311-166-22-14-5)328-230-132-100-214(101-133-230)304-183-55-39-31-47-175-296-206-84-68-198(69-85-206)242-151-159-250(272(288)264(242)280)312-167-23-15-6)334-236-144-116-222(117-145-236)320-191-256(329-231-134-102-215(103-135-231)305-184-56-40-32-48-176-297-207-86-70-199(71-87-207)243-152-160-251(273(289)265(243)281)313-168-24-16-7)330-232-136-104-216(105-137-232)306-185-57-41-33-49-177-298-208-88-72-200(73-89-208)244-153-161-252(274(290)266(244)282)314-169-25-17-8/h58-161,192,253-258H,10-57,162-191H2,1-9H3 |
| InChIKey | LRSXJICHJUGAEW-UHFFFAOYSA-N |
| XLogP | 79.79 |
| TPSA | 276.90 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 44 |
| Rotatable Bonds | 158 |
| Heavy Atoms | 334 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4820.24 |
| LogP ≤ 5 | 79.79 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 44 |