C216H216N8 — CID 159982516
12-N,12-N-bis(3,4-dimethylphenyl)-2,3-dimethyl-6-N,6-N-bis(3,4,5-trimethylphenyl)chrysene-6,12-diamine;6-N,12-N-bis(3,4-dimethylphenyl)-2-methyl-6-N,12-N-bis(3,4,5-trimethylphenyl)chrysene-6,12-diamine;6-N,12-N-bis(3,4-dimethylphenyl)-2-propan-2-yl-6-N,12-N-bis(3,4,5-trimethylphenyl)chrysene-6,12-diamine;6-N,6-N,12-N,12-N-tetrakis(3,4-dimethylphenyl)-2,3,8,9-tetramethylchrysene-6,12-diamine (PubChem CID 159982516) has the molecular formula C216H216N8 and a molecular weight of 2924.16 g/mol. Its IUPAC name is 12-N,12-N-bis(3,4-dimethylphenyl)-2,3-dimethyl-6-N,6-N-bis(3,4,5-trimethylphenyl)chrysene-6,12-diamine;6-N,12-N-bis(3,4-dimethylphenyl)-2-methyl-6-N,12-N-bis(3,4,5-trimethylphenyl)chrysene-6,12-diamine;6-N,12-N-bis(3,4-dimethylphenyl)-2-propan-2-yl-6-N,12-N-bis(3,4,5-trimethylphenyl)chrysene-6,12-diamine;6-N,6-N,12-N,12-N-tetrakis(3,4-dimethylphenyl)-2,3,8,9-tetramethylchrysene-6,12-diamine.
| Compound Name | 12-N,12-N-bis(3,4-dimethylphenyl)-2,3-dimethyl-6-N,6-N-bis(3,4,5-trimethylphenyl)chrysene-6,12-diamine;6-N,12-N-bis(3,4-dimethylphenyl)-2-methyl-6-N,12-N-bis(3,4,5-trimethylphenyl)chrysene-6,12-diamine;6-N,12-N-bis(3,4-dimethylphenyl)-2-propan-2-yl-6-N,12-N-bis(3,4,5-trimethylphenyl)chrysene-6,12-diamine;6-N,6-N,12-N,12-N-tetrakis(3,4-dimethylphenyl)-2,3,8,9-tetramethylchrysene-6,12-diamine |
|---|---|
| PubChem CID | 159982516 |
| Molecular Formula | C216H216N8 |
| Molecular Weight | 2924.16 g/mol |
| Exact Mass | 2921.71 |
| IUPAC Name | 12-N,12-N-bis(3,4-dimethylphenyl)-2,3-dimethyl-6-N,6-N-bis(3,4,5-trimethylphenyl)chrysene-6,12-diamine;6-N,12-N-bis(3,4-dimethylphenyl)-2-methyl-6-N,12-N-bis(3,4,5-trimethylphenyl)chrysene-6,12-diamine;6-N,12-N-bis(3,4-dimethylphenyl)-2-propan-2-yl-6-N,12-N-bis(3,4,5-trimethylphenyl)chrysene-6,12-diamine;6-N,6-N,12-N,12-N-tetrakis(3,4-dimethylphenyl)-2,3,8,9-tetramethylchrysene-6,12-diamine |
| SMILES | Cc1ccc(N(c2cc(C)c(C)c(C)c2)c2cc3c4ccc(C(C)C)cc4c(N(c4ccc(C)c(C)c4)c4cc(C)c(C)c(C)c4)cc3c3ccccc23)cc1C.Cc1ccc(N(c2ccc(C)c(C)c2)c2cc3c4cc(C)c(C)cc4c(N(c4ccc(C)c(C)c4)c4ccc(C)c(C)c4)cc3c3cc(C)c(C)cc23)cc1C.Cc1ccc(N(c2ccc(C)c(C)c2)c2cc3c4ccccc4c(N(c4cc(C)c(C)c(C)c4)c4cc(C)c(C)c(C)c4)cc3c3cc(C)c(C)cc23)cc1C.Cc1ccc2c(c1)c(N(c1ccc(C)c(C)c1)c1cc(C)c(C)c(C)c1)cc1c3ccccc3c(N(c3ccc(C)c(C)c3)c3cc(C)c(C)c(C)c3)cc21 |
| InChI | InChI=1S/C55H56N2.2C54H54N2.C53H52N2/c1-32(2)43-19-22-49-52-30-54(56(44-20-17-33(3)35(5)23-44)46-25-37(7)41(11)38(8)26-46)50-16-14-13-15-48(50)51(52)31-55(53(49)29-43)57(45-21-18-34(4)36(6)24-45)47-27-39(9)42(12)40(10)28-47;1-31-13-17-43(21-35(31)5)55(44-18-14-32(2)36(6)22-44)53-29-49-48-26-40(10)42(12)28-52(48)54(30-50(49)47-25-39(9)41(11)27-51(47)53)56(45-19-15-33(3)37(7)23-45)46-20-16-34(4)38(8)24-46;1-31-17-19-43(21-33(31)3)55(44-20-18-32(2)34(4)22-44)54-29-50-47-15-13-14-16-48(47)53(30-51(50)49-27-35(5)36(6)28-52(49)54)56(45-23-37(7)41(11)38(8)24-45)46-25-39(9)42(12)40(10)26-46;1-31-16-21-47-50-29-52(54(42-19-17-32(2)34(4)23-42)44-25-36(6)40(10)37(7)26-44)48-15-13-12-14-46(48)49(50)30-53(51(47)22-31)55(43-20-18-33(3)35(5)24-43)45-27-38(8)41(11)39(9)28-45/h13-32H,1-12H3;2*13-30H,1-12H3;12-30H,1-11H3 |
| InChIKey | OFYJEURSTSHWBS-UHFFFAOYSA-N |
| XLogP | 63.35 |
| TPSA | 25.92 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 8 |
| Rotatable Bonds | 25 |
| Heavy Atoms | 224 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2924.16 |
| LogP ≤ 5 | 63.35 |
| 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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