C207H194N8 — CID 158150656
2-tert-butyl-6-N,12-N-diphenyl-6-N,12-N-bis(4-propan-2-ylphenyl)chrysene-6,12-diamine;2-tert-butyl-6-N,12-N-diphenyl-6-N,12-N-bis(5,6,7,8-tetrahydronaphthalen-2-yl)chrysene-6,12-diamine;2-methyl-6-N,12-N-bis(3-methylphenyl)-6-N,12-N-diphenylchrysene-6,12-diamine;6-N,6-N,12-N,12-N-tetrakis(3,4-dimethylphenyl)-2,8-di(propan-2-yl)chrysene-6,12-diamine (PubChem CID 158150656) has the molecular formula C207H194N8 and a molecular weight of 2793.88 g/mol. Its IUPAC name is 2-tert-butyl-6-N,12-N-diphenyl-6-N,12-N-bis(4-propan-2-ylphenyl)chrysene-6,12-diamine;2-tert-butyl-6-N,12-N-diphenyl-6-N,12-N-bis(5,6,7,8-tetrahydronaphthalen-2-yl)chrysene-6,12-diamine;2-methyl-6-N,12-N-bis(3-methylphenyl)-6-N,12-N-diphenylchrysene-6,12-diamine;6-N,6-N,12-N,12-N-tetrakis(3,4-dimethylphenyl)-2,8-di(propan-2-yl)chrysene-6,12-diamine.
| Compound Name | 2-tert-butyl-6-N,12-N-diphenyl-6-N,12-N-bis(4-propan-2-ylphenyl)chrysene-6,12-diamine;2-tert-butyl-6-N,12-N-diphenyl-6-N,12-N-bis(5,6,7,8-tetrahydronaphthalen-2-yl)chrysene-6,12-diamine;2-methyl-6-N,12-N-bis(3-methylphenyl)-6-N,12-N-diphenylchrysene-6,12-diamine;6-N,6-N,12-N,12-N-tetrakis(3,4-dimethylphenyl)-2,8-di(propan-2-yl)chrysene-6,12-diamine |
|---|---|
| PubChem CID | 158150656 |
| Molecular Formula | C207H194N8 |
| Molecular Weight | 2793.88 g/mol |
| Exact Mass | 2791.54 |
| IUPAC Name | 2-tert-butyl-6-N,12-N-diphenyl-6-N,12-N-bis(4-propan-2-ylphenyl)chrysene-6,12-diamine;2-tert-butyl-6-N,12-N-diphenyl-6-N,12-N-bis(5,6,7,8-tetrahydronaphthalen-2-yl)chrysene-6,12-diamine;2-methyl-6-N,12-N-bis(3-methylphenyl)-6-N,12-N-diphenylchrysene-6,12-diamine;6-N,6-N,12-N,12-N-tetrakis(3,4-dimethylphenyl)-2,8-di(propan-2-yl)chrysene-6,12-diamine |
| SMILES | CC(C)(C)c1ccc2c(c1)c(N(c1ccccc1)c1ccc3c(c1)CCCC3)cc1c3ccccc3c(N(c3ccccc3)c3ccc4c(c3)CCCC4)cc21.CC(C)c1ccc(N(c2ccccc2)c2cc3c4ccc(C(C)(C)C)cc4c(N(c4ccccc4)c4ccc(C(C)C)cc4)cc3c3ccccc23)cc1.Cc1ccc(N(c2ccc(C)c(C)c2)c2cc3c4ccc(C(C)C)cc4c(N(c4ccc(C)c(C)c4)c4ccc(C)c(C)c4)cc3c3ccc(C(C)C)cc23)cc1C.Cc1cccc(N(c2ccccc2)c2cc3c4ccc(C)cc4c(N(c4ccccc4)c4cccc(C)c4)cc3c3ccccc23)c1 |
| InChI | InChI=1S/C56H58N2.C54H50N2.C52H50N2.C45H36N2/c1-33(2)43-17-23-49-51-32-56(58(47-21-15-37(7)41(11)27-47)48-22-16-38(8)42(12)28-48)54-30-44(34(3)4)18-24-50(54)52(51)31-55(53(49)29-43)57(45-19-13-35(5)39(9)25-45)46-20-14-36(6)40(10)26-46;1-54(2,3)41-28-31-47-50-35-52(55(42-20-6-4-7-21-42)44-29-26-37-16-10-12-18-39(37)32-44)48-25-15-14-24-46(48)49(50)36-53(51(47)34-41)56(43-22-8-5-9-23-43)45-30-27-38-17-11-13-19-40(38)33-45;1-35(2)37-22-27-42(28-23-37)53(40-16-10-8-11-17-40)50-33-48-45-31-26-39(52(5,6)7)32-49(45)51(34-47(48)44-20-14-15-21-46(44)50)54(41-18-12-9-13-19-41)43-29-24-38(25-30-43)36(3)4;1-31-14-12-20-36(26-31)46(34-16-6-4-7-17-34)44-29-42-39-25-24-33(3)28-43(39)45(30-41(42)38-22-10-11-23-40(38)44)47(35-18-8-5-9-19-35)37-21-13-15-32(2)27-37/h13-34H,1-12H3;4-9,14-15,20-36H,10-13,16-19H2,1-3H3;8-36H,1-7H3;4-30H,1-3H3 |
| InChIKey | FVBJCJCHVROWDZ-UHFFFAOYSA-N |
| XLogP | 60.58 |
| TPSA | 25.92 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 8 |
| Rotatable Bonds | 28 |
| Heavy Atoms | 215 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2793.88 |
| LogP ≤ 5 | 60.58 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 8 |
| Structural Alerts | {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'} |
|---|