C160H97N15 — CID 146481116
6-[4-[4-[6-[4-[6-[4-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]indolo[3,2-c]quinolin-11-yl]phenyl]phenanthren-3-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-11-[4-[10-[4-[4-phenyl-6-[4-(11-phenylindolo[3,2-c]quinolin-6-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenanthren-3-yl]phenyl]indolo[3,2-c]quinoline (PubChem CID 146481116) has the molecular formula C160H97N15 and a molecular weight of 2229.64 g/mol. Its IUPAC name is 6-[4-[4-[6-[4-[6-[4-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]indolo[3,2-c]quinolin-11-yl]phenyl]phenanthren-3-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-11-[4-[10-[4-[4-phenyl-6-[4-(11-phenylindolo[3,2-c]quinolin-6-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenanthren-3-yl]phenyl]indolo[3,2-c]quinoline.
| Compound Name | 6-[4-[4-[6-[4-[6-[4-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]indolo[3,2-c]quinolin-11-yl]phenyl]phenanthren-3-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-11-[4-[10-[4-[4-phenyl-6-[4-(11-phenylindolo[3,2-c]quinolin-6-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenanthren-3-yl]phenyl]indolo[3,2-c]quinoline |
|---|---|
| PubChem CID | 146481116 |
| Molecular Formula | C160H97N15 |
| Molecular Weight | 2229.64 g/mol |
| Exact Mass | 2227.81 |
| IUPAC Name | 6-[4-[4-[6-[4-[6-[4-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]indolo[3,2-c]quinolin-11-yl]phenyl]phenanthren-3-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-11-[4-[10-[4-[4-phenyl-6-[4-(11-phenylindolo[3,2-c]quinolin-6-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenanthren-3-yl]phenyl]indolo[3,2-c]quinoline |
| SMILES | c1ccc(-c2cc(-c3ccccc3)cc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5nc6ccccc6c6c5c5ccccc5n6-c5ccc(-c6ccc7ccc8ccc(-c9nc(-c%10ccccc%10)nc(-c%10ccc(-c%11nc%12ccccc%12c%12c%11c%11ccccc%11n%12-c%11ccc(-c%12ccc%13c(-c%14ccc(-c%15nc(-c%16ccccc%16)nc(-c%16ccc(-c%17nc%18ccccc%18c%18c%17c%17ccccc%17n%18-c%17ccccc%17)cc%16)n%15)cc%14)cc%14ccccc%14c%13c%12)cc%11)cc%10)n9)cc8c7c6)cc5)cc4)n3)c2)cc1 |
| InChI | InChI=1S/C160H97N15/c1-7-33-98(34-8-1)119-91-120(99-35-9-2-10-36-99)93-121(92-119)160-171-154(110-41-15-5-16-42-110)167-158(172-160)114-77-69-107(70-78-114)148-145-131-51-25-31-57-141(131)174(150(145)128-48-22-28-54-138(128)163-148)123-86-81-100(82-87-123)115-79-63-103-59-60-104-64-80-118(97-135(104)134(103)94-115)159-169-153(109-39-13-4-14-40-109)166-157(170-159)113-75-67-106(68-76-113)147-144-132-52-26-32-58-142(132)175(151(144)129-49-23-29-55-139(129)162-147)124-88-83-101(84-89-124)116-85-90-126-133(96-117-43-19-20-46-125(117)136(126)95-116)102-61-71-111(72-62-102)155-164-152(108-37-11-3-12-38-108)165-156(168-155)112-73-65-105(66-74-112)146-143-130-50-24-30-56-140(130)173(122-44-17-6-18-45-122)149(143)127-47-21-27-53-137(127)161-146/h1-97H |
| InChIKey | CUAXAWCVOANTDO-UHFFFAOYSA-N |
| XLogP | 40.13 |
| TPSA | 169.47 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 15 |
| Rotatable Bonds | 20 |
| Heavy Atoms | 175 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2229.64 |
| LogP ≤ 5 | 40.13 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 15 |
| Structural Alerts | {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'} |
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