C306H194N26O4 — CID 158221689
4,5-bis(4-carbazol-9-ylphenyl)-2-isocyanobenzonitrile;4,5-bis[4-(9,9-dimethylacridin-10-yl)phenyl]-2-isocyanobenzonitrile;2-isocyano-3,6-bis(4-phenoxazin-10-ylphenyl)benzonitrile;2-isocyano-4,5-bis(4-phenoxazin-10-ylphenyl)benzonitrile;2-isocyano-4,5-bis[4-(N-phenylanilino)phenyl]benzonitrile;2,3,4,5-tetrakis(4-carbazol-9-ylphenyl)-6-isocyanobenzonitrile (PubChem CID 158221689) has the molecular formula C306H194N26O4 and a molecular weight of 4299.10 g/mol. Its IUPAC name is 4,5-bis(4-carbazol-9-ylphenyl)-2-isocyanobenzonitrile;4,5-bis[4-(9,9-dimethylacridin-10-yl)phenyl]-2-isocyanobenzonitrile;2-isocyano-3,6-bis(4-phenoxazin-10-ylphenyl)benzonitrile;2-isocyano-4,5-bis(4-phenoxazin-10-ylphenyl)benzonitrile;2-isocyano-4,5-bis[4-(N-phenylanilino)phenyl]benzonitrile;2,3,4,5-tetrakis(4-carbazol-9-ylphenyl)-6-isocyanobenzonitrile.
| Compound Name | 4,5-bis(4-carbazol-9-ylphenyl)-2-isocyanobenzonitrile;4,5-bis[4-(9,9-dimethylacridin-10-yl)phenyl]-2-isocyanobenzonitrile;2-isocyano-3,6-bis(4-phenoxazin-10-ylphenyl)benzonitrile;2-isocyano-4,5-bis(4-phenoxazin-10-ylphenyl)benzonitrile;2-isocyano-4,5-bis[4-(N-phenylanilino)phenyl]benzonitrile;2,3,4,5-tetrakis(4-carbazol-9-ylphenyl)-6-isocyanobenzonitrile |
|---|---|
| PubChem CID | 158221689 |
| Molecular Formula | C306H194N26O4 |
| Molecular Weight | 4299.10 g/mol |
| Exact Mass | 4295.58 |
| IUPAC Name | 4,5-bis(4-carbazol-9-ylphenyl)-2-isocyanobenzonitrile;4,5-bis[4-(9,9-dimethylacridin-10-yl)phenyl]-2-isocyanobenzonitrile;2-isocyano-3,6-bis(4-phenoxazin-10-ylphenyl)benzonitrile;2-isocyano-4,5-bis(4-phenoxazin-10-ylphenyl)benzonitrile;2-isocyano-4,5-bis[4-(N-phenylanilino)phenyl]benzonitrile;2,3,4,5-tetrakis(4-carbazol-9-ylphenyl)-6-isocyanobenzonitrile |
| SMILES | [C-]#[N+]c1c(-c2ccc(N3c4ccccc4Oc4ccccc43)cc2)ccc(-c2ccc(N3c4ccccc4Oc4ccccc43)cc2)c1C#N.[C-]#[N+]c1c(C#N)c(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)c(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)c(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)c1-c1ccc(-n2c3ccccc3c3ccccc32)cc1.[C-]#[N+]c1cc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)c(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1C#N.[C-]#[N+]c1cc(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)c(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1C#N.[C-]#[N+]c1cc(-c2ccc(N3c4ccccc4C(C)(C)c4ccccc43)cc2)c(-c2ccc(N3c4ccccc4C(C)(C)c4ccccc43)cc2)cc1C#N.[C-]#[N+]c1cc(-c2ccc(N3c4ccccc4Oc4ccccc43)cc2)c(-c2ccc(N3c4ccccc4Oc4ccccc43)cc2)cc1C#N |
| InChI | InChI=1S/C80H48N6.C50H38N4.2C44H26N4O2.C44H26N4.C44H30N4/c1-82-80-67(50-81)76(51-34-42-55(43-35-51)83-68-26-10-2-18-59(68)60-19-3-11-27-69(60)83)77(52-36-44-56(45-37-52)84-70-28-12-4-20-61(70)62-21-5-13-29-71(62)84)78(53-38-46-57(47-39-53)85-72-30-14-6-22-63(72)64-23-7-15-31-73(64)85)79(80)54-40-48-58(49-41-54)86-74-32-16-8-24-65(74)66-25-9-17-33-75(66)86;1-49(2)40-14-6-10-18-45(40)53(46-19-11-7-15-41(46)49)36-26-22-33(23-27-36)38-30-35(32-51)44(52-5)31-39(38)34-24-28-37(29-25-34)54-47-20-12-8-16-42(47)50(3,4)43-17-9-13-21-48(43)54;1-46-36-27-35(30-20-24-33(25-21-30)48-39-12-4-8-16-43(39)50-44-17-9-5-13-40(44)48)34(26-31(36)28-45)29-18-22-32(23-19-29)47-37-10-2-6-14-41(37)49-42-15-7-3-11-38(42)47;1-46-44-34(30-20-24-32(25-21-30)48-38-12-4-8-16-42(38)50-43-17-9-5-13-39(43)48)27-26-33(35(44)28-45)29-18-22-31(23-19-29)47-36-10-2-6-14-40(36)49-41-15-7-3-11-37(41)47;1-46-40-27-39(30-20-24-33(25-21-30)48-43-16-8-4-12-36(43)37-13-5-9-17-44(37)48)38(26-31(40)28-45)29-18-22-32(23-19-29)47-41-14-6-2-10-34(41)35-11-3-7-15-42(35)47;1-46-44-31-43(34-24-28-41(29-25-34)48(38-18-10-4-11-19-38)39-20-12-5-13-21-39)42(30-35(44)32-45)33-22-26-40(27-23-33)47(36-14-6-2-7-15-36)37-16-8-3-9-17-37/h2-49H;6-31H,1-4H3;2*2-27H;2-27H;2-31H |
| InChIKey | GDHYCFBUROWHQX-UHFFFAOYSA-N |
| XLogP | 84.03 |
| TPSA | 261.32 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 24 |
| Rotatable Bonds | 32 |
| Heavy Atoms | 336 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4299.10 |
| LogP ≤ 5 | 84.03 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 24 |