C332H176N60 — CID 160522241
3,5-bis[2,7-bis(3-cyano-5-isocyanophenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile;3,5-bis[2-(3-cyano-5-isocyanophenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile;3,5-bis[3-(3-cyano-5-isocyanophenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile;3,5-bis[2-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile;3,5-bis[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile;5-[9-[5-cyano-3-[3-(3-cyano-5-isocyanophenyl)-6-(3,5-diisocyanophenyl)carbazol-9-yl]-2-pyridin-4-ylphenyl]-6-(3-cyano-5-isocyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile (PubChem CID 160522241) has the molecular formula C332H176N60 and a molecular weight of 5005.48 g/mol. Its IUPAC name is 3,5-bis[2,7-bis(3-cyano-5-isocyanophenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile;3,5-bis[2-(3-cyano-5-isocyanophenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile;3,5-bis[3-(3-cyano-5-isocyanophenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile;3,5-bis[2-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile;3,5-bis[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile;5-[9-[5-cyano-3-[3-(3-cyano-5-isocyanophenyl)-6-(3,5-diisocyanophenyl)carbazol-9-yl]-2-pyridin-4-ylphenyl]-6-(3-cyano-5-isocyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile.
| Compound Name | 3,5-bis[2,7-bis(3-cyano-5-isocyanophenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile;3,5-bis[2-(3-cyano-5-isocyanophenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile;3,5-bis[3-(3-cyano-5-isocyanophenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile;3,5-bis[2-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile;3,5-bis[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile;5-[9-[5-cyano-3-[3-(3-cyano-5-isocyanophenyl)-6-(3,5-diisocyanophenyl)carbazol-9-yl]-2-pyridin-4-ylphenyl]-6-(3-cyano-5-isocyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile |
|---|---|
| PubChem CID | 160522241 |
| Molecular Formula | C332H176N60 |
| Molecular Weight | 5005.48 g/mol |
| Exact Mass | 5001.56 |
| IUPAC Name | 3,5-bis[2,7-bis(3-cyano-5-isocyanophenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile;3,5-bis[2-(3-cyano-5-isocyanophenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile;3,5-bis[3-(3-cyano-5-isocyanophenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile;3,5-bis[2-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile;3,5-bis[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile;5-[9-[5-cyano-3-[3-(3-cyano-5-isocyanophenyl)-6-(3,5-diisocyanophenyl)carbazol-9-yl]-2-pyridin-4-ylphenyl]-6-(3-cyano-5-isocyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile |
| SMILES | Cc1nc(C)nc(-c2ccc3c(c2)c2ccccc2n3-c2cc(C#N)cc(-n3c4ccccc4c4cc(-c5nc(C)nc(C)n5)ccc43)c2-c2ccncc2)n1.Cc1nc(C)nc(-c2ccc3c4ccccc4n(-c4cc(C#N)cc(-n5c6ccccc6c6ccc(-c7nc(C)nc(C)n7)cc65)c4-c4ccncc4)c3c2)n1.[C-]#[N+]c1cc(C#N)cc(-c2ccc3c(c2)c2cc(-c4cc(C#N)cc(C#N)c4)ccc2n3-c2cc(C#N)cc(-n3c4ccc(-c5cc(C#N)cc([N+]#[C-])c5)cc4c4cc(-c5cc([N+]#[C-])cc([N+]#[C-])c5)ccc43)c2-c2ccncc2)c1.[C-]#[N+]c1cc(C#N)cc(-c2ccc3c(c2)c2ccccc2n3-c2cc(C#N)cc(-n3c4ccccc4c4cc(-c5cc(C#N)cc([N+]#[C-])c5)ccc43)c2-c2ccncc2)c1.[C-]#[N+]c1cc(C#N)cc(-c2ccc3c4ccc(-c5cc(C#N)cc([N+]#[C-])c5)cc4n(-c4cc(C#N)cc(-n5c6cc(-c7cc(C#N)cc([N+]#[C-])c7)ccc6c6ccc(-c7cc(C#N)cc([N+]#[C-])c7)cc65)c4-c4ccncc4)c3c2)c1.[C-]#[N+]c1cc(C#N)cc(-c2ccc3c4ccccc4n(-c4cc(C#N)cc(-n5c6ccccc6c6ccc(-c7cc(C#N)cc([N+]#[C-])c7)cc65)c4-c4ccncc4)c3c2)c1 |
| InChI | InChI=1S/2C68H30N12.2C52H26N8.2C46H32N10/c1-74-54-21-40(35-69)17-50(27-54)46-5-9-58-59-10-6-47(51-18-41(36-70)22-55(28-51)75-2)32-63(59)79(62(58)31-46)66-25-44(39-73)26-67(68(66)45-13-15-78-16-14-45)80-64-33-48(52-19-42(37-71)23-56(29-52)76-3)7-11-60(64)61-12-8-49(34-65(61)80)53-20-43(38-72)24-57(30-53)77-4;1-74-54-22-42(37-71)20-51(26-54)47-6-10-63-59(31-47)58-30-46(50-18-40(35-69)17-41(19-50)36-70)5-9-62(58)79(63)66-24-44(39-73)25-67(68(66)45-13-15-78-16-14-45)80-64-11-7-48(52-21-43(38-72)23-55(27-52)75-2)32-60(64)61-33-49(8-12-65(61)80)53-28-56(76-3)34-57(29-53)77-4;1-56-40-21-32(29-53)19-38(25-40)36-11-13-48-44(27-36)42-7-3-5-9-46(42)59(48)50-23-34(31-55)24-51(52(50)35-15-17-58-18-16-35)60-47-10-6-4-8-43(47)45-28-37(12-14-49(45)60)39-20-33(30-54)22-41(26-39)57-2;1-56-40-21-32(29-53)19-38(25-40)36-11-13-44-42-7-3-5-9-46(42)59(48(44)27-36)50-23-34(31-55)24-51(52(50)35-15-17-58-18-16-35)60-47-10-6-4-8-43(47)45-14-12-37(28-49(45)60)39-20-33(30-54)22-41(26-39)57-2;1-26-49-27(2)52-45(51-26)32-13-15-40-36(23-32)34-9-5-7-11-38(34)55(40)42-21-30(25-47)22-43(44(42)31-17-19-48-20-18-31)56-39-12-8-6-10-35(39)37-24-33(14-16-41(37)56)46-53-28(3)50-29(4)54-46;1-26-49-27(2)52-45(51-26)32-13-15-36-34-9-5-7-11-38(34)55(40(36)23-32)42-21-30(25-47)22-43(44(42)31-17-19-48-20-18-31)56-39-12-8-6-10-35(39)37-16-14-33(24-41(37)56)46-53-28(3)50-29(4)54-46/h2*5-34H;2*3-28H;2*5-24H,1-4H3 |
| InChIKey | QUKRRRKNZDGOBZ-UHFFFAOYSA-N |
| XLogP | 79.84 |
| TPSA | 771.72 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 48 |
| Rotatable Bonds | 34 |
| Heavy Atoms | 392 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 5005.48 |
| LogP ≤ 5 | 79.84 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 48 |