C162H98N6O3 — CID 166867094
9-phenyl-2-[2-[3-[4-[3-[9-phenyl-5-[3-[3-[4-[3-(9-phenylcarbazol-4-yl)carbazol-9-yl]dibenzofuran-1-yl]phenyl]phenyl]carbazol-1-yl]carbazol-9-yl]dibenzofuran-1-yl]phenyl]phenyl]-7-[9-[1-(4-phenylphenyl)dibenzofuran-4-yl]carbazol-3-yl]carbazole (PubChem CID 166867094) has the molecular formula C162H98N6O3 and a molecular weight of 2176.60 g/mol. Its IUPAC name is 9-phenyl-2-[2-[3-[4-[3-[9-phenyl-5-[3-[3-[4-[3-(9-phenylcarbazol-4-yl)carbazol-9-yl]dibenzofuran-1-yl]phenyl]phenyl]carbazol-1-yl]carbazol-9-yl]dibenzofuran-1-yl]phenyl]phenyl]-7-[9-[1-(4-phenylphenyl)dibenzofuran-4-yl]carbazol-3-yl]carbazole.
| Compound Name | 9-phenyl-2-[2-[3-[4-[3-[9-phenyl-5-[3-[3-[4-[3-(9-phenylcarbazol-4-yl)carbazol-9-yl]dibenzofuran-1-yl]phenyl]phenyl]carbazol-1-yl]carbazol-9-yl]dibenzofuran-1-yl]phenyl]phenyl]-7-[9-[1-(4-phenylphenyl)dibenzofuran-4-yl]carbazol-3-yl]carbazole |
|---|---|
| PubChem CID | 166867094 |
| Molecular Formula | C162H98N6O3 |
| Molecular Weight | 2176.60 g/mol |
| Exact Mass | 2174.77 |
| IUPAC Name | 9-phenyl-2-[2-[3-[4-[3-[9-phenyl-5-[3-[3-[4-[3-(9-phenylcarbazol-4-yl)carbazol-9-yl]dibenzofuran-1-yl]phenyl]phenyl]carbazol-1-yl]carbazol-9-yl]dibenzofuran-1-yl]phenyl]phenyl]-7-[9-[1-(4-phenylphenyl)dibenzofuran-4-yl]carbazol-3-yl]carbazole |
| SMILES | c1ccc(-c2ccc(-c3ccc(-n4c5ccccc5c5cc(-c6ccc7c8ccc(-c9ccccc9-c9cccc(-c%10ccc(-n%11c%12ccccc%12c%12cc(-c%13cccc%14c%15c(-c%16cccc(-c%17cccc(-c%18ccc(-n%19c%20ccccc%20c%20cc(-c%21cccc%22c%21c%21ccccc%21n%22-c%21ccccc%21)ccc%20%19)c%19oc%20ccccc%20c%18%19)c%17)c%16)cccc%15n(-c%15ccccc%15)c%13%14)ccc%12%11)c%11oc%12ccccc%12c%10%11)c9)cc8n(-c8ccccc8)c7c6)ccc54)c4oc5ccccc5c34)cc2)cc1 |
| InChI | InChI=1S/C162H98N6O3/c1-5-35-99(36-6-1)100-71-73-101(74-72-100)120-82-88-146(160-156(120)130-55-19-26-68-151(130)169-160)166-137-62-22-15-51-124(137)134-94-104(77-85-141(134)166)105-75-80-127-128-81-76-112(98-150(128)164(149(127)97-105)114-45-9-3-10-46-114)117-50-14-13-49-116(117)106-39-31-42-109(93-106)122-84-90-148(162-158(122)132-57-21-28-70-153(132)171-162)168-139-64-24-17-53-126(139)136-96-111(79-87-143(136)168)123-60-32-61-133-155-118(58-34-67-145(155)165(159(123)133)115-47-11-4-12-48-115)107-40-29-37-102(91-107)103-38-30-41-108(92-103)121-83-89-147(161-157(121)131-56-20-27-69-152(131)170-161)167-138-63-23-16-52-125(138)135-95-110(78-86-142(135)167)119-59-33-66-144-154(119)129-54-18-25-65-140(129)163(144)113-43-7-2-8-44-113/h1-98H |
| InChIKey | RMOCESLEGPRLQE-UHFFFAOYSA-N |
| XLogP | 44.30 |
| TPSA | 69.00 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 9 |
| Rotatable Bonds | 17 |
| Heavy Atoms | 171 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2176.60 |
| LogP ≤ 5 | 44.30 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 9 |