C239H187N13O2S2 — CID 161249741
10-[8-[4,6-bis(4-methylphenyl)pyrimidin-2-yl]-5,12-dihydrotetracen-2-yl]-9,9-dimethylacridine;2-[8-(9,9-dimethylacridin-10-yl)-5,12-dihydrotetracen-2-yl]thianthrene 5,5-dioxide;8-[4-(3,5-dimethylphenyl)-6-ethylquinolin-8-yl]-N,N-bis(4-methylphenyl)-6,11-dihydrotetracen-2-amine;8-[4-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]-N,N-bis(3-methylphenyl)-6,11-dihydrotetracen-2-amine;5-[8-(4-methyl-N-(4-methylphenyl)anilino)-6,11-dihydrotetracen-2-yl]benzene-1,3-dicarbonitrile (PubChem CID 161249741) has the molecular formula C239H187N13O2S2 and a molecular weight of 3337.35 g/mol. Its IUPAC name is 10-[8-[4,6-bis(4-methylphenyl)pyrimidin-2-yl]-5,12-dihydrotetracen-2-yl]-9,9-dimethylacridine;2-[8-(9,9-dimethylacridin-10-yl)-5,12-dihydrotetracen-2-yl]thianthrene 5,5-dioxide;8-[4-(3,5-dimethylphenyl)-6-ethylquinolin-8-yl]-N,N-bis(4-methylphenyl)-6,11-dihydrotetracen-2-amine;8-[4-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]-N,N-bis(3-methylphenyl)-6,11-dihydrotetracen-2-amine;5-[8-(4-methyl-N-(4-methylphenyl)anilino)-6,11-dihydrotetracen-2-yl]benzene-1,3-dicarbonitrile.
| Compound Name | 10-[8-[4,6-bis(4-methylphenyl)pyrimidin-2-yl]-5,12-dihydrotetracen-2-yl]-9,9-dimethylacridine;2-[8-(9,9-dimethylacridin-10-yl)-5,12-dihydrotetracen-2-yl]thianthrene 5,5-dioxide;8-[4-(3,5-dimethylphenyl)-6-ethylquinolin-8-yl]-N,N-bis(4-methylphenyl)-6,11-dihydrotetracen-2-amine;8-[4-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]-N,N-bis(3-methylphenyl)-6,11-dihydrotetracen-2-amine;5-[8-(4-methyl-N-(4-methylphenyl)anilino)-6,11-dihydrotetracen-2-yl]benzene-1,3-dicarbonitrile |
|---|---|
| PubChem CID | 161249741 |
| Molecular Formula | C239H187N13O2S2 |
| Molecular Weight | 3337.35 g/mol |
| Exact Mass | 3334.44 |
| IUPAC Name | 10-[8-[4,6-bis(4-methylphenyl)pyrimidin-2-yl]-5,12-dihydrotetracen-2-yl]-9,9-dimethylacridine;2-[8-(9,9-dimethylacridin-10-yl)-5,12-dihydrotetracen-2-yl]thianthrene 5,5-dioxide;8-[4-(3,5-dimethylphenyl)-6-ethylquinolin-8-yl]-N,N-bis(4-methylphenyl)-6,11-dihydrotetracen-2-amine;8-[4-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]-N,N-bis(3-methylphenyl)-6,11-dihydrotetracen-2-amine;5-[8-(4-methyl-N-(4-methylphenyl)anilino)-6,11-dihydrotetracen-2-yl]benzene-1,3-dicarbonitrile |
| SMILES | CC1(C)c2ccccc2N(c2ccc3cc4c(cc3c2)Cc2ccc(-c3ccc5c(c3)Sc3ccccc3S5(=O)=O)cc2C4)c2ccccc21.CCc1cc(-c2ccc3c(c2)Cc2cc4ccc(N(c5ccc(C)cc5)c5ccc(C)cc5)cc4cc2C3)c2nccc(-c3cc(C)cc(C)c3)c2c1.Cc1ccc(-c2cc(-c3ccc(C)cc3)nc(-c3ccc4cc5c(cc4c3)Cc3ccc(N4c6ccccc6C(C)(C)c6ccccc64)cc3C5)n2)cc1.Cc1ccc(N(c2ccc(C)cc2)c2ccc3c(c2)Cc2cc4ccc(-c5cc(C#N)cc(C#N)c5)cc4cc2C3)cc1.Cc1cccc(N(c2cccc(C)c2)c2ccc3cc4c(cc3c2)Cc2ccc(-c3ccc(-c5nnc(-c6ccccc6)n5-c5ccccc5)cc3)cc2C4)c1 |
| InChI | InChI=1S/C52H40N4.C51H41N3.C51H44N2.C45H33NO2S2.C40H29N3/c1-35-11-9-17-48(27-35)55(49-18-10-12-36(2)28-49)50-26-25-42-31-44-32-43-29-40(23-24-41(43)30-45(44)33-46(42)34-50)37-19-21-39(22-20-37)52-54-53-51(38-13-5-3-6-14-38)56(52)47-15-7-4-8-16-47;1-32-13-17-34(18-14-32)46-31-47(35-19-15-33(2)16-20-35)53-50(52-46)38-22-21-36-25-41-29-42-30-43(24-23-37(42)26-40(41)28-39(36)27-38)54-48-11-7-5-9-44(48)51(3,4)45-10-6-8-12-49(45)54;1-6-36-24-49(51-50(25-36)48(19-20-52-51)44-22-34(4)21-35(5)23-44)39-12-11-37-26-42-30-43-31-47(18-13-38(43)27-41(42)29-40(37)28-39)53(45-14-7-32(2)8-15-45)46-16-9-33(3)10-17-46;1-45(2)37-9-3-5-11-39(37)46(40-12-6-4-10-38(40)45)36-19-17-30-23-33-24-32-21-28(15-16-29(32)22-34(33)25-35(30)26-36)31-18-20-44-42(27-31)49-41-13-7-8-14-43(41)50(44,47)48;1-26-3-10-38(11-4-26)43(39-12-5-27(2)6-13-39)40-14-9-32-20-35-21-34-18-30(33-16-28(24-41)15-29(17-33)25-42)7-8-31(34)19-36(35)22-37(32)23-40/h3-29,31,33-34H,30,32H2,1-2H3;5-25,27-28,30-31H,26,29H2,1-4H3;7-25,27-28,30-31H,6,26,29H2,1-5H3;3-21,23,25-27H,22,24H2,1-2H3;3-19,21,23H,20,22H2,1-2H3 |
| InChIKey | VBCONSFVMNJRCT-UHFFFAOYSA-N |
| XLogP | 60.58 |
| TPSA | 167.30 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 16 |
| Rotatable Bonds | 23 |
| Heavy Atoms | 256 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3337.35 |
| LogP ≤ 5 | 60.58 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 16 |