C162H95N13O4S — CID 137456997
3-[6-[4-[4-[3-(8-dibenzofuran-1-yldibenzofuran-1-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-2-yl]-9-[4-[4-[3-[4-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-4-yl]-6-phenyldibenzothiophen-1-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole (PubChem CID 137456997) has the molecular formula C162H95N13O4S and a molecular weight of 2319.70 g/mol. Its IUPAC name is 3-[6-[4-[4-[3-(8-dibenzofuran-1-yldibenzofuran-1-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-2-yl]-9-[4-[4-[3-[4-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-4-yl]-6-phenyldibenzothiophen-1-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole.
| Compound Name | 3-[6-[4-[4-[3-(8-dibenzofuran-1-yldibenzofuran-1-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-2-yl]-9-[4-[4-[3-[4-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-4-yl]-6-phenyldibenzothiophen-1-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole |
|---|---|
| PubChem CID | 137456997 |
| Molecular Formula | C162H95N13O4S |
| Molecular Weight | 2319.70 g/mol |
| Exact Mass | 2317.74 |
| IUPAC Name | 3-[6-[4-[4-[3-(8-dibenzofuran-1-yldibenzofuran-1-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-2-yl]-9-[4-[4-[3-[4-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-4-yl]-6-phenyldibenzothiophen-1-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole |
| SMILES | c1ccc(-c2nc(-c3ccc(-c4ccc(-c5cccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5)c5c4oc4ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccc(-c7nc(-c8ccccc8)nc(-c8cccc(-c9ccc(-c%10cccc%11c%10oc%10cccc(-c%12cccc(-c%13nc(-c%14ccccc%14)nc(-c%14ccccc%14)n%13)c%12)c%10%11)c%10sc%11c(-c%12ccccc%12)cccc%11c9%10)c8)n7)cc6)cc45)cc3)nc(-c3cccc(-c4cccc5oc6ccc(-c7cccc8oc9ccccc9c78)cc6c45)c3)n2)cc1 |
| InChI | InChI=1S/C162H95N13O4S/c1-8-35-96(36-9-1)124-62-30-65-130-146-122(83-85-127(150(146)180-149(124)130)126-63-31-64-129-143-118(59-34-70-141(143)179-147(126)129)108-49-26-53-113(89-108)159-167-151(98-37-10-2-11-38-98)163-152(168-159)99-39-12-3-13-40-99)111-52-29-56-116(92-111)162-172-156(103-47-20-7-21-48-103)166-158(174-162)105-75-80-117(81-76-105)175-134-66-24-22-57-125(134)131-93-106(77-86-135(131)175)107-78-87-138-133(94-107)145-121(110-51-28-55-115(91-110)160-169-153(100-41-14-4-15-42-100)164-154(170-160)101-43-16-5-17-44-101)82-84-123(148(145)178-138)97-71-73-104(74-72-97)157-165-155(102-45-18-6-19-46-102)171-161(173-157)114-54-27-50-109(90-114)119-60-32-69-140-144(119)132-95-112(79-88-137(132)177-140)120-61-33-68-139-142(120)128-58-23-25-67-136(128)176-139/h1-95H |
| InChIKey | FWCYMFPXHANJCL-UHFFFAOYSA-N |
| XLogP | 42.50 |
| TPSA | 212.17 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 18 |
| Rotatable Bonds | 22 |
| Heavy Atoms | 180 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2319.70 |
| LogP ≤ 5 | 42.50 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 18 |