C222H180N32O6 — CID 158127733
4,6-bis(3,6-ditert-butylcarbazol-9-yl)-N,N-bis(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-amine;4,6-bis(3,6-dimethoxycarbazol-9-yl)-N,N-bis(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-amine;4,6-bis(9,9-dimethylacridin-10-yl)-N,N-bis(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-amine;4,6-di(phenoxazin-10-yl)-N,N-bis(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-amine (PubChem CID 158127733) has the molecular formula C222H180N32O6 and a molecular weight of 3392.10 g/mol. Its IUPAC name is 4,6-bis(3,6-ditert-butylcarbazol-9-yl)-N,N-bis(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-amine;4,6-bis(3,6-dimethoxycarbazol-9-yl)-N,N-bis(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-amine;4,6-bis(9,9-dimethylacridin-10-yl)-N,N-bis(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-amine;4,6-di(phenoxazin-10-yl)-N,N-bis(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-amine.
| Compound Name | 4,6-bis(3,6-ditert-butylcarbazol-9-yl)-N,N-bis(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-amine;4,6-bis(3,6-dimethoxycarbazol-9-yl)-N,N-bis(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-amine;4,6-bis(9,9-dimethylacridin-10-yl)-N,N-bis(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-amine;4,6-di(phenoxazin-10-yl)-N,N-bis(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-amine |
|---|---|
| PubChem CID | 158127733 |
| Molecular Formula | C222H180N32O6 |
| Molecular Weight | 3392.10 g/mol |
| Exact Mass | 3389.48 |
| IUPAC Name | 4,6-bis(3,6-ditert-butylcarbazol-9-yl)-N,N-bis(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-amine;4,6-bis(3,6-dimethoxycarbazol-9-yl)-N,N-bis(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-amine;4,6-bis(9,9-dimethylacridin-10-yl)-N,N-bis(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-amine;4,6-di(phenoxazin-10-yl)-N,N-bis(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-amine |
| SMILES | CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1nc(N(c2ccc(-c3ccncc3)cc2)c2ccc(-c3ccncc3)cc2)nc(-n2c3ccc(C(C)(C)C)cc3c3cc(C(C)(C)C)ccc32)n1.CC1(C)c2ccccc2N(c2nc(N(c3ccc(-c4ccncc4)cc3)c3ccc(-c4ccncc4)cc3)nc(N3c4ccccc4C(C)(C)c4ccccc43)n2)c2ccccc21.COc1ccc2c(c1)c1cc(OC)ccc1n2-c1nc(N(c2ccc(-c3ccncc3)cc2)c2ccc(-c3ccncc3)cc2)nc(-n2c3ccc(OC)cc3c3cc(OC)ccc32)n1.c1ccc2c(c1)Oc1ccccc1N2c1nc(N(c2ccc(-c3ccncc3)cc2)c2ccc(-c3ccncc3)cc2)nc(N2c3ccccc3Oc3ccccc32)n1 |
| InChI | InChI=1S/C65H64N8.C55H44N8.C53H40N8O4.C49H32N8O2/c1-62(2,3)45-17-25-55-51(37-45)52-38-46(63(4,5)6)18-26-56(52)72(55)60-68-59(69-61(70-60)73-57-27-19-47(64(7,8)9)39-53(57)54-40-48(65(10,11)12)20-28-58(54)73)71(49-21-13-41(14-22-49)43-29-33-66-34-30-43)50-23-15-42(16-24-50)44-31-35-67-36-32-44;1-54(2)43-13-5-9-17-47(43)62(48-18-10-6-14-44(48)54)52-58-51(59-53(60-52)63-49-19-11-7-15-45(49)55(3,4)46-16-8-12-20-50(46)63)61(41-25-21-37(22-26-41)39-29-33-56-34-30-39)42-27-23-38(24-28-42)40-31-35-57-36-32-40;1-62-39-13-17-47-43(29-39)44-30-40(63-2)14-18-48(44)60(47)52-56-51(57-53(58-52)61-49-19-15-41(64-3)31-45(49)46-32-42(65-4)16-20-50(46)61)59(37-9-5-33(6-10-37)35-21-25-54-26-22-35)38-11-7-34(8-12-38)36-23-27-55-28-24-36;1-5-13-43-39(9-1)56(40-10-2-6-14-44(40)58-43)48-52-47(53-49(54-48)57-41-11-3-7-15-45(41)59-46-16-8-4-12-42(46)57)55(37-21-17-33(18-22-37)35-25-29-50-30-26-35)38-23-19-34(20-24-38)36-27-31-51-32-28-36/h13-40H,1-12H3;5-36H,1-4H3;5-32H,1-4H3;1-32H |
| InChIKey | FSJUYXXHAURKPI-UHFFFAOYSA-N |
| XLogP | 54.84 |
| TPSA | 358.82 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 38 |
| Rotatable Bonds | 32 |
| Heavy Atoms | 260 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3392.10 |
| LogP ≤ 5 | 54.84 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 38 |