C216H138N14 — CID 158665027
3-carbazol-9-yl-9-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]carbazole;3-carbazol-9-yl-9-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]carbazole;3-carbazol-9-yl-9-[3-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]phenyl]carbazole;3-carbazol-9-yl-9-[3-[3-(3-phenylphenyl)phenyl]phenyl]carbazole (PubChem CID 158665027) has the molecular formula C216H138N14 and a molecular weight of 2929.58 g/mol. Its IUPAC name is 3-carbazol-9-yl-9-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]carbazole;3-carbazol-9-yl-9-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]carbazole;3-carbazol-9-yl-9-[3-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]phenyl]carbazole;3-carbazol-9-yl-9-[3-[3-(3-phenylphenyl)phenyl]phenyl]carbazole.
| Compound Name | 3-carbazol-9-yl-9-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]carbazole;3-carbazol-9-yl-9-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]carbazole;3-carbazol-9-yl-9-[3-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]phenyl]carbazole;3-carbazol-9-yl-9-[3-[3-(3-phenylphenyl)phenyl]phenyl]carbazole |
|---|---|
| PubChem CID | 158665027 |
| Molecular Formula | C216H138N14 |
| Molecular Weight | 2929.58 g/mol |
| Exact Mass | 2927.12 |
| IUPAC Name | 3-carbazol-9-yl-9-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]carbazole;3-carbazol-9-yl-9-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]carbazole;3-carbazol-9-yl-9-[3-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]phenyl]carbazole;3-carbazol-9-yl-9-[3-[3-(3-phenylphenyl)phenyl]phenyl]carbazole |
| SMILES | c1cc(-c2cccc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)c2)cc(-n2c3ccccc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)c1.c1cc(-n2c3ccccc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)cc(-n2c3ccccc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)c1.c1ccc(-c2cccc(-c3cccc(-c4cccc(-n5c6ccccc6c6cc(-n7c8ccccc8c8ccccc87)ccc65)c4)c3)c2)cc1.c1ccc2c(c1)c1ccccc1n2-c1ccc2c(c1)c1ccccc1n2-c1ccc(-n2c3ccccc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)cc1 |
| InChI | InChI=1S/C60H38N4.2C54H34N4.C48H32N2/c1-7-25-53-45(19-1)46-20-2-8-26-54(46)63(53)43-31-33-59-51(37-43)49-23-5-11-29-57(49)61(59)41-17-13-15-39(35-41)40-16-14-18-42(36-40)62-58-30-12-6-24-50(58)52-38-44(32-34-60(52)62)64-55-27-9-3-21-47(55)48-22-4-10-28-56(48)64;1-7-22-47-39(16-1)40-17-2-8-23-48(40)57(47)37-28-30-53-45(33-37)43-20-5-11-26-51(43)55(53)35-14-13-15-36(32-35)56-52-27-12-6-21-44(52)46-34-38(29-31-54(46)56)58-49-24-9-3-18-41(49)42-19-4-10-25-50(42)58;1-7-19-47-39(13-1)40-14-2-8-20-48(40)57(47)37-29-31-53-45(33-37)43-17-5-11-23-51(43)55(53)35-25-27-36(28-26-35)56-52-24-12-6-18-44(52)46-34-38(30-32-54(46)56)58-49-21-9-3-15-41(49)42-16-4-10-22-50(42)58;1-2-13-33(14-3-1)34-15-10-16-35(29-34)36-17-11-18-37(30-36)38-19-12-20-39(31-38)49-47-26-9-6-23-43(47)44-32-40(27-28-48(44)49)50-45-24-7-4-21-41(45)42-22-5-8-25-46(42)50/h1-38H;2*1-34H;1-32H |
| InChIKey | IDFYKOJSUZASAC-UHFFFAOYSA-N |
| XLogP | 56.77 |
| TPSA | 69.02 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 14 |
| Rotatable Bonds | 18 |
| Heavy Atoms | 230 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2929.58 |
| LogP ≤ 5 | 56.77 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 14 |