C358H374N12 — CID 158210777
6-N,12-N-bis(4-cyclohexylphenyl)-2-propan-2-yl-6-N,12-N-bis(4-propan-2-ylphenyl)chrysene-6,12-diamine;2-cyclohexyl-6-N,12-N-bis(4-cyclohexylphenyl)-6-N,12-N-bis(4-propan-2-ylphenyl)chrysene-6,12-diamine;2-cyclohexyl-6-N,12-N-bis(3,4-dimethylphenyl)-6-N,12-N-bis(3,4,5-trimethylphenyl)chrysene-6,12-diamine;2-cyclohexyl-6-N,6-N,12-N,12-N-tetrakis(3,5-dimethylphenyl)chrysene-6,12-diamine;2-cyclohexyl-6-N,6-N,12-N,12-N-tetrakis(3,4,5-trimethylphenyl)chrysene-6,12-diamine;6-N,6-N,12-N,12-N-tetrakis(4-methylphenyl)-2-(4-propylcyclohexyl)chrysene-6,12-diamine (PubChem CID 158210777) has the molecular formula C358H374N12 and a molecular weight of 4845.01 g/mol. Its IUPAC name is 6-N,12-N-bis(4-cyclohexylphenyl)-2-propan-2-yl-6-N,12-N-bis(4-propan-2-ylphenyl)chrysene-6,12-diamine;2-cyclohexyl-6-N,12-N-bis(4-cyclohexylphenyl)-6-N,12-N-bis(4-propan-2-ylphenyl)chrysene-6,12-diamine;2-cyclohexyl-6-N,12-N-bis(3,4-dimethylphenyl)-6-N,12-N-bis(3,4,5-trimethylphenyl)chrysene-6,12-diamine;2-cyclohexyl-6-N,6-N,12-N,12-N-tetrakis(3,5-dimethylphenyl)chrysene-6,12-diamine;2-cyclohexyl-6-N,6-N,12-N,12-N-tetrakis(3,4,5-trimethylphenyl)chrysene-6,12-diamine;6-N,6-N,12-N,12-N-tetrakis(4-methylphenyl)-2-(4-propylcyclohexyl)chrysene-6,12-diamine.
| Compound Name | 6-N,12-N-bis(4-cyclohexylphenyl)-2-propan-2-yl-6-N,12-N-bis(4-propan-2-ylphenyl)chrysene-6,12-diamine;2-cyclohexyl-6-N,12-N-bis(4-cyclohexylphenyl)-6-N,12-N-bis(4-propan-2-ylphenyl)chrysene-6,12-diamine;2-cyclohexyl-6-N,12-N-bis(3,4-dimethylphenyl)-6-N,12-N-bis(3,4,5-trimethylphenyl)chrysene-6,12-diamine;2-cyclohexyl-6-N,6-N,12-N,12-N-tetrakis(3,5-dimethylphenyl)chrysene-6,12-diamine;2-cyclohexyl-6-N,6-N,12-N,12-N-tetrakis(3,4,5-trimethylphenyl)chrysene-6,12-diamine;6-N,6-N,12-N,12-N-tetrakis(4-methylphenyl)-2-(4-propylcyclohexyl)chrysene-6,12-diamine |
|---|---|
| PubChem CID | 158210777 |
| Molecular Formula | C358H374N12 |
| Molecular Weight | 4845.01 g/mol |
| Exact Mass | 4840.96 |
| IUPAC Name | 6-N,12-N-bis(4-cyclohexylphenyl)-2-propan-2-yl-6-N,12-N-bis(4-propan-2-ylphenyl)chrysene-6,12-diamine;2-cyclohexyl-6-N,12-N-bis(4-cyclohexylphenyl)-6-N,12-N-bis(4-propan-2-ylphenyl)chrysene-6,12-diamine;2-cyclohexyl-6-N,12-N-bis(3,4-dimethylphenyl)-6-N,12-N-bis(3,4,5-trimethylphenyl)chrysene-6,12-diamine;2-cyclohexyl-6-N,6-N,12-N,12-N-tetrakis(3,5-dimethylphenyl)chrysene-6,12-diamine;2-cyclohexyl-6-N,6-N,12-N,12-N-tetrakis(3,4,5-trimethylphenyl)chrysene-6,12-diamine;6-N,6-N,12-N,12-N-tetrakis(4-methylphenyl)-2-(4-propylcyclohexyl)chrysene-6,12-diamine |
| SMILES | CC(C)c1ccc(N(c2ccc(C3CCCCC3)cc2)c2cc3c4ccc(C(C)C)cc4c(N(c4ccc(C(C)C)cc4)c4ccc(C5CCCCC5)cc4)cc3c3ccccc23)cc1.CC(C)c1ccc(N(c2ccc(C3CCCCC3)cc2)c2cc3c4ccc(C5CCCCC5)cc4c(N(c4ccc(C(C)C)cc4)c4ccc(C5CCCCC5)cc4)cc3c3ccccc23)cc1.CCCC1CCC(c2ccc3c(c2)c(N(c2ccc(C)cc2)c2ccc(C)cc2)cc2c4ccccc4c(N(c4ccc(C)cc4)c4ccc(C)cc4)cc32)CC1.Cc1cc(C)cc(N(c2cc(C)cc(C)c2)c2cc3c4ccc(C5CCCCC5)cc4c(N(c4cc(C)cc(C)c4)c4cc(C)cc(C)c4)cc3c3ccccc23)c1.Cc1cc(N(c2cc(C)c(C)c(C)c2)c2cc3c4ccc(C5CCCCC5)cc4c(N(c4cc(C)c(C)c(C)c4)c4cc(C)c(C)c(C)c4)cc3c3ccccc23)cc(C)c1C.Cc1ccc(N(c2cc(C)c(C)c(C)c2)c2cc3c4ccc(C5CCCCC5)cc4c(N(c4ccc(C)c(C)c4)c4cc(C)c(C)c(C)c4)cc3c3ccccc23)cc1C |
| InChI | InChI=1S/C66H72N2.C63H68N2.C60H64N2.C58H60N2.C56H56N2.C55H54N2/c1-45(2)47-24-33-55(34-25-47)67(57-37-28-52(29-38-57)49-16-8-5-9-17-49)65-43-63-60-41-32-54(51-20-12-7-13-21-51)42-64(60)66(44-62(63)59-22-14-15-23-61(59)65)68(56-35-26-48(27-36-56)46(3)4)58-39-30-53(31-40-58)50-18-10-6-11-19-50;1-42(2)45-21-30-52(31-22-45)64(54-34-25-49(26-35-54)47-15-9-7-10-16-47)62-40-60-57-38-29-51(44(5)6)39-61(57)63(41-59(60)56-19-13-14-20-58(56)62)65(53-32-23-46(24-33-53)43(3)4)55-36-27-50(28-37-55)48-17-11-8-12-18-48;1-35-24-49(25-36(2)43(35)9)61(50-26-37(3)44(10)38(4)27-50)59-33-57-54-23-22-48(47-18-14-13-15-19-47)32-58(54)60(34-56(57)53-20-16-17-21-55(53)59)62(51-28-39(5)45(11)40(6)29-51)52-30-41(7)46(12)42(8)31-52;1-35-20-23-47(26-37(35)3)59(49-28-39(5)43(9)40(6)29-49)57-33-55-52-25-22-46(45-16-12-11-13-17-45)32-56(52)58(34-54(55)51-18-14-15-19-53(51)57)60(48-24-21-36(2)38(4)27-48)50-30-41(7)44(10)42(8)31-50;1-35-20-36(2)25-45(24-35)57(46-26-37(3)21-38(4)27-46)55-33-53-50-19-18-44(43-14-10-9-11-15-43)32-54(50)56(34-52(53)49-16-12-13-17-51(49)55)58(47-28-39(5)22-40(6)29-47)48-30-41(7)23-42(8)31-48;1-6-9-41-20-22-42(23-21-41)43-24-33-49-52-35-54(56(44-25-12-37(2)13-26-44)45-27-14-38(3)15-28-45)50-11-8-7-10-48(50)51(52)36-55(53(49)34-43)57(46-29-16-39(4)17-30-46)47-31-18-40(5)19-32-47/h14-15,22-46,49-51H,5-13,16-21H2,1-4H3;13-14,19-44,47-48H,7-12,15-18H2,1-6H3;16-17,20-34,47H,13-15,18-19H2,1-12H3;14-15,18-34,45H,11-13,16-17H2,1-10H3;12-13,16-34,43H,9-11,14-15H2,1-8H3;7-8,10-19,24-36,41-42H,6,9,20-23H2,1-5H3 |
| InChIKey | GCAXUZVSYXJUPP-UHFFFAOYSA-N |
| XLogP | 108.07 |
| TPSA | 38.88 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 12 |
| Rotatable Bonds | 52 |
| Heavy Atoms | 370 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4845.01 |
| LogP ≤ 5 | 108.07 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 12 |