C244H244N6 — CID 158882508
7-tert-butyl-7-[7-tert-butyl-5-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)benzo[c]fluoren-7-yl]-N,N-bis(4-tert-butylphenyl)benzo[c]fluoren-5-amine;7-[5-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)-7-methylbenzo[c]fluoren-7-yl]-N,N-bis(4-tert-butylphenyl)-7-methylbenzo[c]fluoren-5-amine;7-[5-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)-7-phenylbenzo[c]fluoren-7-yl]-N,N-bis(4-tert-butylphenyl)-7-phenylbenzo[c]fluoren-5-amine (PubChem CID 158882508) has the molecular formula C244H244N6 and a molecular weight of 3260.68 g/mol. Its IUPAC name is 7-tert-butyl-7-[7-tert-butyl-5-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)benzo[c]fluoren-7-yl]-N,N-bis(4-tert-butylphenyl)benzo[c]fluoren-5-amine;7-[5-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)-7-methylbenzo[c]fluoren-7-yl]-N,N-bis(4-tert-butylphenyl)-7-methylbenzo[c]fluoren-5-amine;7-[5-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)-7-phenylbenzo[c]fluoren-7-yl]-N,N-bis(4-tert-butylphenyl)-7-phenylbenzo[c]fluoren-5-amine.
| Compound Name | 7-tert-butyl-7-[7-tert-butyl-5-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)benzo[c]fluoren-7-yl]-N,N-bis(4-tert-butylphenyl)benzo[c]fluoren-5-amine;7-[5-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)-7-methylbenzo[c]fluoren-7-yl]-N,N-bis(4-tert-butylphenyl)-7-methylbenzo[c]fluoren-5-amine;7-[5-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)-7-phenylbenzo[c]fluoren-7-yl]-N,N-bis(4-tert-butylphenyl)-7-phenylbenzo[c]fluoren-5-amine |
|---|---|
| PubChem CID | 158882508 |
| Molecular Formula | C244H244N6 |
| Molecular Weight | 3260.68 g/mol |
| Exact Mass | 3257.93 |
| IUPAC Name | 7-tert-butyl-7-[7-tert-butyl-5-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)benzo[c]fluoren-7-yl]-N,N-bis(4-tert-butylphenyl)benzo[c]fluoren-5-amine;7-[5-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)-7-methylbenzo[c]fluoren-7-yl]-N,N-bis(4-tert-butylphenyl)-7-methylbenzo[c]fluoren-5-amine;7-[5-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)-7-phenylbenzo[c]fluoren-7-yl]-N,N-bis(4-tert-butylphenyl)-7-phenylbenzo[c]fluoren-5-amine |
| SMILES | CC(C)(C)c1ccc(N(c2ccc(C(C)(C)C)cc2)c2cc3c(c4ccccc24)-c2ccccc2C3(C(C)(C)C)C2(C(C)(C)C)c3ccccc3-c3c2cc(N(c2ccc(C(C)(C)C)cc2)c2ccc(C(C)(C)C)cc2)c2ccccc32)cc1.CC(C)(C)c1ccc(N(c2ccc(C(C)(C)C)cc2)c2cc3c(c4ccccc24)-c2ccccc2C3(C)C2(C)c3ccccc3-c3c2cc(N(c2ccc(C(C)(C)C)cc2)c2ccc(C(C)(C)C)cc2)c2ccccc32)cc1.CC(C)(C)c1ccc(N(c2ccc(C(C)(C)C)cc2)c2cc3c(c4ccccc24)-c2ccccc2C3(c2ccccc2)C2(c3ccccc3)c3ccccc3-c3c2cc(N(c2ccc(C(C)(C)C)cc2)c2ccc(C(C)(C)C)cc2)c2ccccc32)cc1 |
| InChI | InChI=1S/C86H80N2.C82H88N2.C76H76N2/c1-81(2,3)57-39-47-63(48-40-57)87(64-49-41-58(42-50-64)82(4,5)6)77-55-75-79(69-33-21-19-31-67(69)77)71-35-23-25-37-73(71)85(75,61-27-15-13-16-28-61)86(62-29-17-14-18-30-62)74-38-26-24-36-72(74)80-70-34-22-20-32-68(70)78(56-76(80)86)88(65-51-43-59(44-52-65)83(7,8)9)66-53-45-60(46-54-66)84(10,11)12;1-75(2,3)53-35-43-57(44-36-53)83(58-45-37-54(38-46-58)76(4,5)6)71-51-69-73(63-29-21-19-27-61(63)71)65-31-23-25-33-67(65)81(69,79(13,14)15)82(80(16,17)18)68-34-26-24-32-66(68)74-64-30-22-20-28-62(64)72(52-70(74)82)84(59-47-39-55(40-48-59)77(7,8)9)60-49-41-56(42-50-60)78(10,11)12;1-71(2,3)49-31-39-53(40-32-49)77(54-41-33-50(34-42-54)72(4,5)6)67-47-65-69(59-25-17-15-23-57(59)67)61-27-19-21-29-63(61)75(65,13)76(14)64-30-22-20-28-62(64)70-60-26-18-16-24-58(60)68(48-66(70)76)78(55-43-35-51(36-44-55)73(7,8)9)56-45-37-52(38-46-56)74(10,11)12/h13-56H,1-12H3;19-52H,1-18H3;15-48H,1-14H3 |
| InChIKey | JDEWNDPNKYOZJH-UHFFFAOYSA-N |
| XLogP | 68.30 |
| TPSA | 19.44 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 6 |
| Rotatable Bonds | 23 |
| Heavy Atoms | 250 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3260.68 |
| LogP ≤ 5 | 68.30 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 6 |