C316H244N10 — CID 157096228
2-N,6-N-bis(4-cyclopentylphenyl)-9,10-diphenyl-2-N,6-N-bis(4-propan-2-ylphenyl)anthracene-2,6-diamine;1-N,6-N-bis(4-methylphenyl)-3,8-dinaphthalen-2-yl-1-N,6-N-diphenylpyrene-1,6-diamine;3,8-dinaphthalen-2-yl-1-N,1-N,6-N,6-N-tetraphenylpyrene-1,6-diamine;bis(1-N,1-N,6-N,6-N-tetrakis(3-methylphenyl)-3,8-dinaphthalen-2-ylpyrene-1,6-diamine) (PubChem CID 157096228) has the molecular formula C316H244N10 and a molecular weight of 4181.50 g/mol. Its IUPAC name is 2-N,6-N-bis(4-cyclopentylphenyl)-9,10-diphenyl-2-N,6-N-bis(4-propan-2-ylphenyl)anthracene-2,6-diamine;1-N,6-N-bis(4-methylphenyl)-3,8-dinaphthalen-2-yl-1-N,6-N-diphenylpyrene-1,6-diamine;3,8-dinaphthalen-2-yl-1-N,1-N,6-N,6-N-tetraphenylpyrene-1,6-diamine;bis(1-N,1-N,6-N,6-N-tetrakis(3-methylphenyl)-3,8-dinaphthalen-2-ylpyrene-1,6-diamine).
| Compound Name | 2-N,6-N-bis(4-cyclopentylphenyl)-9,10-diphenyl-2-N,6-N-bis(4-propan-2-ylphenyl)anthracene-2,6-diamine;1-N,6-N-bis(4-methylphenyl)-3,8-dinaphthalen-2-yl-1-N,6-N-diphenylpyrene-1,6-diamine;3,8-dinaphthalen-2-yl-1-N,1-N,6-N,6-N-tetraphenylpyrene-1,6-diamine;bis(1-N,1-N,6-N,6-N-tetrakis(3-methylphenyl)-3,8-dinaphthalen-2-ylpyrene-1,6-diamine) |
|---|---|
| PubChem CID | 157096228 |
| Molecular Formula | C316H244N10 |
| Molecular Weight | 4181.50 g/mol |
| Exact Mass | 4177.94 |
| IUPAC Name | 2-N,6-N-bis(4-cyclopentylphenyl)-9,10-diphenyl-2-N,6-N-bis(4-propan-2-ylphenyl)anthracene-2,6-diamine;1-N,6-N-bis(4-methylphenyl)-3,8-dinaphthalen-2-yl-1-N,6-N-diphenylpyrene-1,6-diamine;3,8-dinaphthalen-2-yl-1-N,1-N,6-N,6-N-tetraphenylpyrene-1,6-diamine;bis(1-N,1-N,6-N,6-N-tetrakis(3-methylphenyl)-3,8-dinaphthalen-2-ylpyrene-1,6-diamine) |
| SMILES | CC(C)c1ccc(N(c2ccc(C3CCCC3)cc2)c2ccc3c(-c4ccccc4)c4cc(N(c5ccc(C(C)C)cc5)c5ccc(C6CCCC6)cc5)ccc4c(-c4ccccc4)c3c2)cc1.Cc1ccc(N(c2ccccc2)c2cc(-c3ccc4ccccc4c3)c3ccc4c(N(c5ccccc5)c5ccc(C)cc5)cc(-c5ccc6ccccc6c5)c5ccc2c3c54)cc1.Cc1cccc(N(c2cccc(C)c2)c2cc(-c3ccc4ccccc4c3)c3ccc4c(N(c5cccc(C)c5)c5cccc(C)c5)cc(-c5ccc6ccccc6c5)c5ccc2c3c54)c1.Cc1cccc(N(c2cccc(C)c2)c2cc(-c3ccc4ccccc4c3)c3ccc4c(N(c5cccc(C)c5)c5cccc(C)c5)cc(-c5ccc6ccccc6c5)c5ccc2c3c54)c1.c1ccc(N(c2ccccc2)c2cc(-c3ccc4ccccc4c3)c3ccc4c(N(c5ccccc5)c5ccccc5)cc(-c5ccc6ccccc6c5)c5ccc2c3c54)cc1 |
| InChI | InChI=1S/C66H64N2.2C64H48N2.C62H44N2.C60H40N2/c1-45(2)47-23-31-55(32-24-47)67(57-35-27-51(28-36-57)49-15-11-12-16-49)59-39-41-61-63(43-59)65(53-19-7-5-8-20-53)62-42-40-60(44-64(62)66(61)54-21-9-6-10-22-54)68(56-33-25-48(26-34-56)46(3)4)58-37-29-52(30-38-58)50-17-13-14-18-50;2*1-41-13-9-21-51(33-41)65(52-22-10-14-42(2)34-52)61-39-59(49-27-25-45-17-5-7-19-47(45)37-49)55-30-32-58-62(66(53-23-11-15-43(3)35-53)54-24-12-16-44(4)36-54)40-60(56-29-31-57(61)63(55)64(56)58)50-28-26-46-18-6-8-20-48(46)38-50;1-41-21-29-51(30-22-41)63(49-17-5-3-6-18-49)59-39-57(47-27-25-43-13-9-11-15-45(43)37-47)53-34-36-56-60(64(50-19-7-4-8-20-50)52-31-23-42(2)24-32-52)40-58(54-33-35-55(59)61(53)62(54)56)48-28-26-44-14-10-12-16-46(44)38-48;1-5-21-47(22-6-1)61(48-23-7-2-8-24-48)57-39-55(45-31-29-41-17-13-15-19-43(41)37-45)51-34-36-54-58(62(49-25-9-3-10-26-49)50-27-11-4-12-28-50)40-56(52-33-35-53(57)59(51)60(52)54)46-32-30-42-18-14-16-20-44(42)38-46/h5-10,19-46,49-50H,11-18H2,1-4H3;2*5-40H,1-4H3;3-40H,1-2H3;1-40H |
| InChIKey | AFFVUXJRDLZMEE-UHFFFAOYSA-N |
| XLogP | 91.57 |
| TPSA | 32.40 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 10 |
| Rotatable Bonds | 44 |
| Heavy Atoms | 326 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4181.50 |
| LogP ≤ 5 | 91.57 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 10 |