C159H93N13O4 — CID 166947021
3-[9-[4-[8-[9-[4-[3-[4-[8-(9-dibenzofuran-4-ylcarbazol-3-yl)dibenzofuran-1-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]carbazol-4-yl]-1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]phenyl]carbazol-3-yl]-6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenylcarbazole (PubChem CID 166947021) has the molecular formula C159H93N13O4 and a molecular weight of 2249.58 g/mol. Its IUPAC name is 3-[9-[4-[8-[9-[4-[3-[4-[8-(9-dibenzofuran-4-ylcarbazol-3-yl)dibenzofuran-1-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]carbazol-4-yl]-1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]phenyl]carbazol-3-yl]-6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenylcarbazole.
| Compound Name | 3-[9-[4-[8-[9-[4-[3-[4-[8-(9-dibenzofuran-4-ylcarbazol-3-yl)dibenzofuran-1-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]carbazol-4-yl]-1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]phenyl]carbazol-3-yl]-6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenylcarbazole |
|---|---|
| PubChem CID | 166947021 |
| Molecular Formula | C159H93N13O4 |
| Molecular Weight | 2249.58 g/mol |
| Exact Mass | 2247.75 |
| IUPAC Name | 3-[9-[4-[8-[9-[4-[3-[4-[8-(9-dibenzofuran-4-ylcarbazol-3-yl)dibenzofuran-1-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]carbazol-4-yl]-1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]phenyl]carbazol-3-yl]-6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenylcarbazole |
| SMILES | c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4oc5ccc(-c6ccc7c(c6)c6cc(-c8ccc9c(c8)c8ccccc8n9-c8ccc(-c9ccc(-c%10nc(-c%11ccccc%11)nc(-c%11ccccc%11)n%10)c%10c9oc9ccc(-c%11cccc%12c%11c%11ccccc%11n%12-c%11ccc(-c%12cccc(-c%13nc(-c%14ccccc%14)nc(-c%14cccc%15oc%16ccc(-c%17ccc%18c(c%17)c%17ccccc%17n%18-c%17cccc%18c%17oc%17ccccc%17%18)cc%16c%14%15)n%13)c%12)cc%11)cc9%10)cc8)ccc6n7-c6ccccc6)cc5c34)n2)cc1 |
| InChI | InChI=1S/C159H93N13O4/c1-7-32-96(33-8-1)151-160-152(97-34-9-2-10-35-97)164-157(163-151)120-52-30-60-143-146(120)128-92-107(71-84-141(128)173-143)105-68-81-135-126(90-105)125-89-104(67-80-134(125)169(135)110-44-17-6-18-45-110)102-66-79-133-123(87-102)115-46-19-23-54-130(115)170(133)111-75-64-95(65-76-111)114-77-78-122(159-166-153(98-36-11-3-12-37-98)161-154(167-159)99-38-13-4-14-39-99)148-129-93-108(72-85-142(129)176-150(114)148)113-50-28-57-137-145(113)119-49-21-25-56-132(119)171(137)112-73-62-94(63-74-112)101-42-27-43-109(86-101)156-162-155(100-40-15-5-16-41-100)165-158(168-156)121-53-31-61-144-147(121)127-91-106(70-83-140(127)174-144)103-69-82-136-124(88-103)116-47-20-24-55-131(116)172(136)138-58-29-51-118-117-48-22-26-59-139(117)175-149(118)138/h1-93H |
| InChIKey | VKVZUABKFSVNSL-UHFFFAOYSA-N |
| XLogP | 41.23 |
| TPSA | 188.29 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 17 |
| Rotatable Bonds | 19 |
| Heavy Atoms | 176 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2249.58 |
| LogP ≤ 5 | 41.23 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 17 |