C242H130F4N26 — CID 158367441
9-[6-(3-cyano-6-isocyanocarbazol-9-yl)-9,10-bis(5-phenyl-2-pyridinyl)anthracen-2-yl]-6-isocyanocarbazole-3-carbonitrile;9-[6-(3-cyano-6-isocyanocarbazol-9-yl)-9,10-bis(3-pyridin-2-ylphenyl)anthracen-2-yl]-6-isocyanocarbazole-3-carbonitrile;9-[6-(3-cyano-6-isocyanocarbazol-9-yl)-9,10-bis(4-pyridin-2-ylphenyl)anthracen-2-yl]-6-isocyanocarbazole-3-carbonitrile;9-[6-(3,6-difluorocarbazol-9-yl)-9,10-diphenylanthracen-2-yl]-3,6-difluorocarbazole (PubChem CID 158367441) has the molecular formula C242H130F4N26 and a molecular weight of 3477.88 g/mol. Its IUPAC name is 9-[6-(3-cyano-6-isocyanocarbazol-9-yl)-9,10-bis(5-phenyl-2-pyridinyl)anthracen-2-yl]-6-isocyanocarbazole-3-carbonitrile;9-[6-(3-cyano-6-isocyanocarbazol-9-yl)-9,10-bis(3-pyridin-2-ylphenyl)anthracen-2-yl]-6-isocyanocarbazole-3-carbonitrile;9-[6-(3-cyano-6-isocyanocarbazol-9-yl)-9,10-bis(4-pyridin-2-ylphenyl)anthracen-2-yl]-6-isocyanocarbazole-3-carbonitrile;9-[6-(3,6-difluorocarbazol-9-yl)-9,10-diphenylanthracen-2-yl]-3,6-difluorocarbazole.
| Compound Name | 9-[6-(3-cyano-6-isocyanocarbazol-9-yl)-9,10-bis(5-phenyl-2-pyridinyl)anthracen-2-yl]-6-isocyanocarbazole-3-carbonitrile;9-[6-(3-cyano-6-isocyanocarbazol-9-yl)-9,10-bis(3-pyridin-2-ylphenyl)anthracen-2-yl]-6-isocyanocarbazole-3-carbonitrile;9-[6-(3-cyano-6-isocyanocarbazol-9-yl)-9,10-bis(4-pyridin-2-ylphenyl)anthracen-2-yl]-6-isocyanocarbazole-3-carbonitrile;9-[6-(3,6-difluorocarbazol-9-yl)-9,10-diphenylanthracen-2-yl]-3,6-difluorocarbazole |
|---|---|
| PubChem CID | 158367441 |
| Molecular Formula | C242H130F4N26 |
| Molecular Weight | 3477.88 g/mol |
| Exact Mass | 3475.09 |
| IUPAC Name | 9-[6-(3-cyano-6-isocyanocarbazol-9-yl)-9,10-bis(5-phenyl-2-pyridinyl)anthracen-2-yl]-6-isocyanocarbazole-3-carbonitrile;9-[6-(3-cyano-6-isocyanocarbazol-9-yl)-9,10-bis(3-pyridin-2-ylphenyl)anthracen-2-yl]-6-isocyanocarbazole-3-carbonitrile;9-[6-(3-cyano-6-isocyanocarbazol-9-yl)-9,10-bis(4-pyridin-2-ylphenyl)anthracen-2-yl]-6-isocyanocarbazole-3-carbonitrile;9-[6-(3,6-difluorocarbazol-9-yl)-9,10-diphenylanthracen-2-yl]-3,6-difluorocarbazole |
| SMILES | Fc1ccc2c(c1)c1cc(F)ccc1n2-c1ccc2c(-c3ccccc3)c3cc(-n4c5ccc(F)cc5c5cc(F)ccc54)ccc3c(-c3ccccc3)c2c1.[C-]#[N+]c1ccc2c(c1)c1cc(C#N)ccc1n2-c1ccc2c(-c3ccc(-c4ccccc4)cn3)c3cc(-n4c5ccc(C#N)cc5c5cc([N+]#[C-])ccc54)ccc3c(-c3ccc(-c4ccccc4)cn3)c2c1.[C-]#[N+]c1ccc2c(c1)c1cc(C#N)ccc1n2-c1ccc2c(-c3ccc(-c4ccccn4)cc3)c3cc(-n4c5ccc(C#N)cc5c5cc([N+]#[C-])ccc54)ccc3c(-c3ccc(-c4ccccn4)cc3)c2c1.[C-]#[N+]c1ccc2c(c1)c1cc(C#N)ccc1n2-c1ccc2c(-c3cccc(-c4ccccn4)c3)c3cc(-n4c5ccc(C#N)cc5c5cc([N+]#[C-])ccc54)ccc3c(-c3cccc(-c4ccccn4)c3)c2c1 |
| InChI | InChI=1S/3C64H34N8.C50H28F4N2/c1-67-45-17-25-61-53(33-45)51-29-39(37-65)15-23-59(51)71(61)47-19-21-49-55(35-47)63(43-11-7-9-41(31-43)57-13-3-5-27-69-57)50-22-20-48(36-56(50)64(49)44-12-8-10-42(32-44)58-14-4-6-28-70-58)72-60-24-16-40(38-66)30-52(60)54-34-46(68-2)18-26-62(54)72;1-67-45-19-27-61-53(33-45)51-31-39(37-65)9-25-59(51)71(61)47-21-23-49-55(35-47)63(43-15-11-41(12-16-43)57-7-3-5-29-69-57)50-24-22-48(36-56(50)64(49)44-17-13-42(14-18-44)58-8-4-6-30-70-58)72-60-26-10-40(38-66)32-52(60)54-34-46(68-2)20-28-62(54)72;1-67-45-17-27-61-53(31-45)51-29-39(35-65)13-25-59(51)71(61)47-19-21-49-55(33-47)63(57-23-15-43(37-69-57)41-9-5-3-6-10-41)50-22-20-48(34-56(50)64(49)58-24-16-44(38-70-58)42-11-7-4-8-12-42)72-60-26-14-40(36-66)30-52(60)54-32-46(68-2)18-28-62(54)72;51-31-11-19-45-39(23-31)40-24-32(52)12-20-46(40)55(45)35-16-18-38-43(27-35)49(29-7-3-1-4-8-29)37-17-15-36(28-44(37)50(38)30-9-5-2-6-10-30)56-47-21-13-33(53)25-41(47)42-26-34(54)14-22-48(42)56/h2*3-36H;3-34,37-38H;1-28H |
| InChIKey | GUEWPKJDSUFVBE-UHFFFAOYSA-N |
| XLogP | 63.55 |
| TPSA | 285.68 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 20 |
| Rotatable Bonds | 22 |
| Heavy Atoms | 272 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3477.88 |
| LogP ≤ 5 | 63.55 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 20 |