C226H166N6 — CID 158494702
10-methyl-1-[8-(10-methyl-9,9-diphenylacridin-1-yl)-10-(3-phenylnaphthalen-1-yl)anthracen-1-yl]-9,9-diphenylacridine;10-methyl-4-[8-(10-methyl-9,9-diphenylacridin-4-yl)-10-(3-phenylnaphthalen-1-yl)anthracen-1-yl]-9,9-diphenylacridine;9,9,10-trimethyl-1-[10-(3-phenylnaphthalen-1-yl)-8-(9,9,10-trimethylacridin-1-yl)anthracen-1-yl]acridine (PubChem CID 158494702) has the molecular formula C226H166N6 and a molecular weight of 2965.86 g/mol. Its IUPAC name is 10-methyl-1-[8-(10-methyl-9,9-diphenylacridin-1-yl)-10-(3-phenylnaphthalen-1-yl)anthracen-1-yl]-9,9-diphenylacridine;10-methyl-4-[8-(10-methyl-9,9-diphenylacridin-4-yl)-10-(3-phenylnaphthalen-1-yl)anthracen-1-yl]-9,9-diphenylacridine;9,9,10-trimethyl-1-[10-(3-phenylnaphthalen-1-yl)-8-(9,9,10-trimethylacridin-1-yl)anthracen-1-yl]acridine.
| Compound Name | 10-methyl-1-[8-(10-methyl-9,9-diphenylacridin-1-yl)-10-(3-phenylnaphthalen-1-yl)anthracen-1-yl]-9,9-diphenylacridine;10-methyl-4-[8-(10-methyl-9,9-diphenylacridin-4-yl)-10-(3-phenylnaphthalen-1-yl)anthracen-1-yl]-9,9-diphenylacridine;9,9,10-trimethyl-1-[10-(3-phenylnaphthalen-1-yl)-8-(9,9,10-trimethylacridin-1-yl)anthracen-1-yl]acridine |
|---|---|
| PubChem CID | 158494702 |
| Molecular Formula | C226H166N6 |
| Molecular Weight | 2965.86 g/mol |
| Exact Mass | 2963.32 |
| IUPAC Name | 10-methyl-1-[8-(10-methyl-9,9-diphenylacridin-1-yl)-10-(3-phenylnaphthalen-1-yl)anthracen-1-yl]-9,9-diphenylacridine;10-methyl-4-[8-(10-methyl-9,9-diphenylacridin-4-yl)-10-(3-phenylnaphthalen-1-yl)anthracen-1-yl]-9,9-diphenylacridine;9,9,10-trimethyl-1-[10-(3-phenylnaphthalen-1-yl)-8-(9,9,10-trimethylacridin-1-yl)anthracen-1-yl]acridine |
| SMILES | CN1c2ccccc2C(C)(C)c2c(-c3cccc4c(-c5cc(-c6ccccc6)cc6ccccc56)c5cccc(-c6cccc7c6C(C)(C)c6ccccc6N7C)c5cc34)cccc21.CN1c2ccccc2C(c2ccccc2)(c2ccccc2)c2c(-c3cccc4c(-c5cc(-c6ccccc6)cc6ccccc56)c5cccc(-c6cccc7c6C(c6ccccc6)(c6ccccc6)c6ccccc6N7C)c5cc34)cccc21.CN1c2ccccc2C(c2ccccc2)(c2ccccc2)c2cccc(-c3cccc4c(-c5cc(-c6ccccc6)cc6ccccc56)c5cccc(-c6cccc7c6N(C)c6ccccc6C7(c6ccccc6)c6ccccc6)c5cc34)c21 |
| InChI | InChI=1S/2C82H58N2.C62H50N2/c1-83-76-50-22-20-46-72(76)81(58-31-10-4-11-32-58,59-33-12-5-13-34-59)74-48-26-44-67(79(74)83)63-40-24-42-65-69(63)54-70-64(41-25-43-66(70)78(65)71-53-57(55-28-8-3-9-29-55)52-56-30-18-19-39-62(56)71)68-45-27-49-75-80(68)84(2)77-51-23-21-47-73(77)82(75,60-35-14-6-15-36-60)61-37-16-7-17-38-61;1-83-74-48-22-20-46-72(74)81(58-31-10-4-11-32-58,59-33-12-5-13-34-59)79-67(44-26-50-76(79)83)63-40-24-42-65-69(63)54-70-64(41-25-43-66(70)78(65)71-53-57(55-28-8-3-9-29-55)52-56-30-18-19-39-62(56)71)68-45-27-51-77-80(68)82(60-35-14-6-15-36-60,61-37-16-7-17-38-61)73-47-21-23-49-75(73)84(77)2;1-61(2)52-30-12-14-32-54(52)63(5)56-34-18-28-47(59(56)61)43-24-16-26-45-49(43)38-50-44(48-29-19-35-57-60(48)62(3,4)53-31-13-15-33-55(53)64(57)6)25-17-27-46(50)58(45)51-37-41(39-20-8-7-9-21-39)36-40-22-10-11-23-42(40)51/h2*3-54H,1-2H3;7-38H,1-6H3 |
| InChIKey | HJDDDFNOVIQJPL-UHFFFAOYSA-N |
| XLogP | 58.11 |
| TPSA | 19.44 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 6 |
| Rotatable Bonds | 20 |
| Heavy Atoms | 232 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2965.86 |
| LogP ≤ 5 | 58.11 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 6 |
| Structural Alerts | {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'} |
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