C284H240N8 — CID 160775133
1-N,6-N-bis(3-cyclohexylphenyl)-1-N,6-N-bis[2-methyl-5-(2-methylphenyl)phenyl]pyrene-1,6-diamine;1-N,6-N-bis(3-cyclopentylphenyl)-1-N,6-N-bis[2-methyl-5-(2-methylphenyl)phenyl]pyrene-1,6-diamine;1-N,6-N-bis(2,5-diphenylphenyl)-1-N,6-N-bis[2-methyl-5-(2-methylphenyl)phenyl]pyrene-1,6-diamine;1-N,6-N-bis[2-methyl-5-(2-methylphenyl)phenyl]-1-N,6-N-bis(2-methyl-5-phenylphenyl)pyrene-1,6-diamine (PubChem CID 160775133) has the molecular formula C284H240N8 and a molecular weight of 3765.10 g/mol. Its IUPAC name is 1-N,6-N-bis(3-cyclohexylphenyl)-1-N,6-N-bis[2-methyl-5-(2-methylphenyl)phenyl]pyrene-1,6-diamine;1-N,6-N-bis(3-cyclopentylphenyl)-1-N,6-N-bis[2-methyl-5-(2-methylphenyl)phenyl]pyrene-1,6-diamine;1-N,6-N-bis(2,5-diphenylphenyl)-1-N,6-N-bis[2-methyl-5-(2-methylphenyl)phenyl]pyrene-1,6-diamine;1-N,6-N-bis[2-methyl-5-(2-methylphenyl)phenyl]-1-N,6-N-bis(2-methyl-5-phenylphenyl)pyrene-1,6-diamine.
| Compound Name | 1-N,6-N-bis(3-cyclohexylphenyl)-1-N,6-N-bis[2-methyl-5-(2-methylphenyl)phenyl]pyrene-1,6-diamine;1-N,6-N-bis(3-cyclopentylphenyl)-1-N,6-N-bis[2-methyl-5-(2-methylphenyl)phenyl]pyrene-1,6-diamine;1-N,6-N-bis(2,5-diphenylphenyl)-1-N,6-N-bis[2-methyl-5-(2-methylphenyl)phenyl]pyrene-1,6-diamine;1-N,6-N-bis[2-methyl-5-(2-methylphenyl)phenyl]-1-N,6-N-bis(2-methyl-5-phenylphenyl)pyrene-1,6-diamine |
|---|---|
| PubChem CID | 160775133 |
| Molecular Formula | C284H240N8 |
| Molecular Weight | 3765.10 g/mol |
| Exact Mass | 3761.90 |
| IUPAC Name | 1-N,6-N-bis(3-cyclohexylphenyl)-1-N,6-N-bis[2-methyl-5-(2-methylphenyl)phenyl]pyrene-1,6-diamine;1-N,6-N-bis(3-cyclopentylphenyl)-1-N,6-N-bis[2-methyl-5-(2-methylphenyl)phenyl]pyrene-1,6-diamine;1-N,6-N-bis(2,5-diphenylphenyl)-1-N,6-N-bis[2-methyl-5-(2-methylphenyl)phenyl]pyrene-1,6-diamine;1-N,6-N-bis[2-methyl-5-(2-methylphenyl)phenyl]-1-N,6-N-bis(2-methyl-5-phenylphenyl)pyrene-1,6-diamine |
| SMILES | Cc1ccccc1-c1ccc(C)c(N(c2cc(-c3ccccc3)ccc2-c2ccccc2)c2ccc3ccc4c(N(c5cc(-c6ccccc6C)ccc5C)c5cc(-c6ccccc6)ccc5-c5ccccc5)ccc5ccc2c3c54)c1.Cc1ccccc1-c1ccc(C)c(N(c2cc(-c3ccccc3)ccc2C)c2ccc3ccc4c(N(c5cc(-c6ccccc6)ccc5C)c5cc(-c6ccccc6C)ccc5C)ccc5ccc2c3c54)c1.Cc1ccccc1-c1ccc(C)c(N(c2cccc(C3CCCC3)c2)c2ccc3ccc4c(N(c5cccc(C6CCCC6)c5)c5cc(-c6ccccc6C)ccc5C)ccc5ccc2c3c54)c1.Cc1ccccc1-c1ccc(C)c(N(c2cccc(C3CCCCC3)c2)c2ccc3ccc4c(N(c5cccc(C6CCCCC6)c5)c5cc(-c6ccccc6C)ccc5C)ccc5ccc2c3c54)c1 |
| InChI | InChI=1S/C80H60N2.C70H56N2.C68H64N2.C66H60N2/c1-53-21-17-19-31-67(53)65-35-33-55(3)75(51-65)81(77-49-63(57-23-9-5-10-24-57)39-43-69(77)59-27-13-7-14-28-59)73-47-41-61-38-46-72-74(48-42-62-37-45-71(73)79(61)80(62)72)82(76-52-66(36-34-56(76)4)68-32-20-18-22-54(68)2)78-50-64(58-25-11-6-12-26-58)40-44-70(78)60-29-15-8-16-30-60;1-45-17-13-15-23-59(45)57-31-27-49(5)67(43-57)71(65-41-55(29-25-47(65)3)51-19-9-7-10-20-51)63-39-35-53-34-38-62-64(40-36-54-33-37-61(63)69(53)70(54)62)72(66-42-56(30-26-48(66)4)52-21-11-8-12-22-52)68-44-58(32-28-50(68)6)60-24-16-14-18-46(60)2;1-45-17-11-13-27-59(45)55-31-29-47(3)65(43-55)69(57-25-15-23-53(41-57)49-19-7-5-8-20-49)63-39-35-51-34-38-62-64(40-36-52-33-37-61(63)67(51)68(52)62)70(58-26-16-24-54(42-58)50-21-9-6-10-22-50)66-44-56(32-30-48(66)4)60-28-14-12-18-46(60)2;1-43-15-5-11-25-57(43)53-29-27-45(3)63(41-53)67(55-23-13-21-51(39-55)47-17-7-8-18-47)61-37-33-49-32-36-60-62(38-34-50-31-35-59(61)65(49)66(50)60)68(56-24-14-22-52(40-56)48-19-9-10-20-48)64-42-54(30-28-46(64)4)58-26-12-6-16-44(58)2/h5-52H,1-4H3;7-44H,1-6H3;11-18,23-44,49-50H,5-10,19-22H2,1-4H3;5-6,11-16,21-42,47-48H,7-10,17-20H2,1-4H3 |
| InChIKey | RZVNIKUZQOHWER-UHFFFAOYSA-N |
| XLogP | 82.39 |
| TPSA | 25.92 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 8 |
| Rotatable Bonds | 42 |
| Heavy Atoms | 292 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3765.10 |
| LogP ≤ 5 | 82.39 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 8 |
| Structural Alerts | {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'} |
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