C168H113N3 — CID 155305411
10-[4-[3-[3-[4-(3,4-diphenylphenyl)-N-[10-[4-[3-[3-[N-[10-(4-phenylphenyl)phenanthren-9-yl]-4-[4-(2-phenylphenyl)phenyl]anilino]phenyl]phenyl]phenyl]phenanthren-9-yl]anilino]phenyl]phenyl]phenyl]-N-phenyl-N-[3-phenyl-4-(4-phenylphenyl)phenyl]phenanthren-9-amine (PubChem CID 155305411) has the molecular formula C168H113N3 and a molecular weight of 2173.77 g/mol. Its IUPAC name is 10-[4-[3-[3-[4-(3,4-diphenylphenyl)-N-[10-[4-[3-[3-[N-[10-(4-phenylphenyl)phenanthren-9-yl]-4-[4-(2-phenylphenyl)phenyl]anilino]phenyl]phenyl]phenyl]phenanthren-9-yl]anilino]phenyl]phenyl]phenyl]-N-phenyl-N-[3-phenyl-4-(4-phenylphenyl)phenyl]phenanthren-9-amine.
| Compound Name | 10-[4-[3-[3-[4-(3,4-diphenylphenyl)-N-[10-[4-[3-[3-[N-[10-(4-phenylphenyl)phenanthren-9-yl]-4-[4-(2-phenylphenyl)phenyl]anilino]phenyl]phenyl]phenyl]phenanthren-9-yl]anilino]phenyl]phenyl]phenyl]-N-phenyl-N-[3-phenyl-4-(4-phenylphenyl)phenyl]phenanthren-9-amine |
|---|---|
| PubChem CID | 155305411 |
| Molecular Formula | C168H113N3 |
| Molecular Weight | 2173.77 g/mol |
| Exact Mass | 2171.89 |
| IUPAC Name | 10-[4-[3-[3-[4-(3,4-diphenylphenyl)-N-[10-[4-[3-[3-[N-[10-(4-phenylphenyl)phenanthren-9-yl]-4-[4-(2-phenylphenyl)phenyl]anilino]phenyl]phenyl]phenyl]phenanthren-9-yl]anilino]phenyl]phenyl]phenyl]-N-phenyl-N-[3-phenyl-4-(4-phenylphenyl)phenyl]phenanthren-9-amine |
| SMILES | c1ccc(-c2ccc(-c3ccc(N(c4ccccc4)c4c(-c5ccc(-c6cccc(-c7cccc(N(c8ccc(-c9ccc(-c%10ccccc%10)c(-c%10ccccc%10)c9)cc8)c8c(-c9ccc(-c%10cccc(-c%11cccc(N(c%12ccc(-c%13ccc(-c%14ccccc%14-c%14ccccc%14)cc%13)cc%12)c%12c(-c%13ccc(-c%14ccccc%14)cc%13)c%13ccccc%13c%13ccccc%12%13)c%11)c%10)cc9)c9ccccc9c9ccccc89)c7)c6)cc5)c5ccccc5c5ccccc45)cc3-c3ccccc3)cc2)cc1 |
| InChI | InChI=1S/C168H113N3/c1-8-40-114(41-9-1)116-76-88-128(89-77-116)148-107-105-144(113-162(148)126-50-18-6-19-51-126)169(139-58-20-7-21-59-139)166-158-73-33-27-67-152(158)149-64-24-30-70-155(149)163(166)130-92-82-120(83-93-130)132-52-36-55-135(108-132)137-57-39-61-143(111-137)171(141-103-98-122(99-104-141)138-100-106-147(124-46-14-4-15-47-124)161(112-138)125-48-16-5-17-49-125)168-160-75-35-29-69-154(160)151-66-26-32-72-157(151)165(168)131-94-84-121(85-95-131)133-53-37-54-134(109-133)136-56-38-60-142(110-136)170(140-101-96-119(97-102-140)118-78-86-127(87-79-118)146-63-23-22-62-145(146)123-44-12-3-13-45-123)167-159-74-34-28-68-153(159)150-65-25-31-71-156(150)164(167)129-90-80-117(81-91-129)115-42-10-2-11-43-115/h1-113H |
| InChIKey | RBYBFRNNWJYJMF-UHFFFAOYSA-N |
| XLogP | 47.35 |
| TPSA | 9.72 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 3 |
| Rotatable Bonds | 26 |
| Heavy Atoms | 171 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2173.77 |
| LogP ≤ 5 | 47.35 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 3 |
| Structural Alerts | {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'} |
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