C223H129F15N16 — CID 153086965
5-[5-[9-[3-[3-[6-[9-[3-[2,7-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-5-(3,5-difluorophenyl)-2-(trifluoromethyl)phenyl]-2,7-bis(2-phenyl-3-pyridinyl)carbazol-3-yl]-2-phenyl-3-pyridinyl]-6-(2-phenyl-3-pyridinyl)carbazol-9-yl]-5-(3,5-difluorophenyl)-2-(trifluoromethyl)phenyl]-6-(2-phenyl-3-pyridinyl)carbazol-3-yl]-6-phenyl-3-pyridinyl]-11-[5-(3,5-difluorophenyl)-3-(11-phenylindolo[2,3-a]carbazol-12-yl)-2-(trifluoromethyl)phenyl]-12-phenylindolo[2,3-a]carbazole (PubChem CID 153086965) has the molecular formula C223H129F15N16 and a molecular weight of 3317.57 g/mol. Its IUPAC name is 5-[5-[9-[3-[3-[6-[9-[3-[2,7-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-5-(3,5-difluorophenyl)-2-(trifluoromethyl)phenyl]-2,7-bis(2-phenyl-3-pyridinyl)carbazol-3-yl]-2-phenyl-3-pyridinyl]-6-(2-phenyl-3-pyridinyl)carbazol-9-yl]-5-(3,5-difluorophenyl)-2-(trifluoromethyl)phenyl]-6-(2-phenyl-3-pyridinyl)carbazol-3-yl]-6-phenyl-3-pyridinyl]-11-[5-(3,5-difluorophenyl)-3-(11-phenylindolo[2,3-a]carbazol-12-yl)-2-(trifluoromethyl)phenyl]-12-phenylindolo[2,3-a]carbazole.
| Compound Name | 5-[5-[9-[3-[3-[6-[9-[3-[2,7-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-5-(3,5-difluorophenyl)-2-(trifluoromethyl)phenyl]-2,7-bis(2-phenyl-3-pyridinyl)carbazol-3-yl]-2-phenyl-3-pyridinyl]-6-(2-phenyl-3-pyridinyl)carbazol-9-yl]-5-(3,5-difluorophenyl)-2-(trifluoromethyl)phenyl]-6-(2-phenyl-3-pyridinyl)carbazol-3-yl]-6-phenyl-3-pyridinyl]-11-[5-(3,5-difluorophenyl)-3-(11-phenylindolo[2,3-a]carbazol-12-yl)-2-(trifluoromethyl)phenyl]-12-phenylindolo[2,3-a]carbazole |
|---|---|
| PubChem CID | 153086965 |
| Molecular Formula | C223H129F15N16 |
| Molecular Weight | 3317.57 g/mol |
| Exact Mass | 3315.03 |
| IUPAC Name | 5-[5-[9-[3-[3-[6-[9-[3-[2,7-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-5-(3,5-difluorophenyl)-2-(trifluoromethyl)phenyl]-2,7-bis(2-phenyl-3-pyridinyl)carbazol-3-yl]-2-phenyl-3-pyridinyl]-6-(2-phenyl-3-pyridinyl)carbazol-9-yl]-5-(3,5-difluorophenyl)-2-(trifluoromethyl)phenyl]-6-(2-phenyl-3-pyridinyl)carbazol-3-yl]-6-phenyl-3-pyridinyl]-11-[5-(3,5-difluorophenyl)-3-(11-phenylindolo[2,3-a]carbazol-12-yl)-2-(trifluoromethyl)phenyl]-12-phenylindolo[2,3-a]carbazole |
| SMILES | Fc1cc(F)cc(-c2cc(-n3c4ccc(-c5cccnc5-c5ccccc5)cc4c4cc(-c5cc(-c6cc7c8ccccc8n(-c8cc(-c9cc(F)cc(F)c9)cc(-n9c%10ccccc%10c%10ccc%11c%12ccccc%12n(-c%12ccccc%12)c%11c%109)c8C(F)(F)F)c7c7c6c6ccccc6n7-c6ccccc6)cnc5-c5ccccc5)ccc43)c(C(F)(F)F)c(-n3c4ccc(-c5cccnc5-c5ccccc5)cc4c4cc(-c5ccc(-c6cc7c8ccc(-c9cccnc9-c9ccccc9)cc8n(-c8cc(-c9cc(F)cc(F)c9)cc(-n9c%10cc(-c%11cccnc%11-c%11ccccc%11)ccc%10c%10ccc(-c%11cccnc%11-c%11ccccc%11)cc%109)c8C(F)(F)F)c7cc6-c6cccnc6-c6ccccc6)nc5-c5ccccc5)ccc43)c2)c1 |
| InChI | InChI=1S/C223H129F15N16/c224-152-103-145(104-153(225)123-152)148-117-199(206(221(230,231)232)200(118-148)250-192-94-83-139(161-70-40-98-240-210(161)131-47-13-2-14-48-131)110-181(192)183-112-141(85-96-194(183)250)177-113-151(129-245-215(177)136-57-23-7-24-58-136)176-126-185-168-67-33-37-77-189(168)254(219(185)220-205(176)175-68-34-38-78-190(175)248(220)159-63-29-10-30-64-159)204-122-150(147-107-156(228)125-157(229)108-147)121-203(208(204)223(236,237)238)253-188-76-36-32-66-167(188)174-90-89-173-166-65-31-35-75-187(166)247(217(173)218(174)253)158-61-27-9-28-62-158)249-191-93-82-138(160-69-39-97-239-209(160)130-45-11-1-12-46-130)109-180(191)182-111-140(84-95-193(182)249)165-91-92-186(246-216(165)137-59-25-8-26-60-137)179-127-184-171-88-81-144(164-73-43-101-243-213(164)134-53-19-5-20-54-134)116-197(171)252(198(184)128-178(179)172-74-44-102-244-214(172)135-55-21-6-22-56-135)202-120-149(146-105-154(226)124-155(227)106-146)119-201(207(202)222(233,234)235)251-195-114-142(162-71-41-99-241-211(162)132-49-15-3-16-50-132)79-86-169(195)170-87-80-143(115-196(170)251)163-72-42-100-242-212(163)133-51-17-4-18-52-133/h1-129H |
| InChIKey | VOJZMXLHLBUYLX-UHFFFAOYSA-N |
| XLogP | 60.52 |
| TPSA | 142.56 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 16 |
| Rotatable Bonds | 29 |
| Heavy Atoms | 254 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3317.57 |
| LogP ≤ 5 | 60.52 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 16 |