C141H94N4 — CID 158848481
3-carbazol-9-yl-9-[8-[3-(4-phenylphenyl)phenyl]-9H-fluoren-1-yl]carbazole;9-[5-[3-(4-phenylphenyl)phenyl]-9H-fluoren-1-yl]carbazole;9-[8-[3-(4-phenylphenyl)phenyl]-9H-fluoren-3-yl]carbazole (PubChem CID 158848481) has the molecular formula C141H94N4 and a molecular weight of 1844.33 g/mol. Its IUPAC name is 3-carbazol-9-yl-9-[8-[3-(4-phenylphenyl)phenyl]-9H-fluoren-1-yl]carbazole;9-[5-[3-(4-phenylphenyl)phenyl]-9H-fluoren-1-yl]carbazole;9-[8-[3-(4-phenylphenyl)phenyl]-9H-fluoren-3-yl]carbazole.
| Compound Name | 3-carbazol-9-yl-9-[8-[3-(4-phenylphenyl)phenyl]-9H-fluoren-1-yl]carbazole;9-[5-[3-(4-phenylphenyl)phenyl]-9H-fluoren-1-yl]carbazole;9-[8-[3-(4-phenylphenyl)phenyl]-9H-fluoren-3-yl]carbazole |
|---|---|
| PubChem CID | 158848481 |
| Molecular Formula | C141H94N4 |
| Molecular Weight | 1844.33 g/mol |
| Exact Mass | 1842.75 |
| IUPAC Name | 3-carbazol-9-yl-9-[8-[3-(4-phenylphenyl)phenyl]-9H-fluoren-1-yl]carbazole;9-[5-[3-(4-phenylphenyl)phenyl]-9H-fluoren-1-yl]carbazole;9-[8-[3-(4-phenylphenyl)phenyl]-9H-fluoren-3-yl]carbazole |
| SMILES | c1ccc(-c2ccc(-c3cccc(-c4cccc5c4-c4cccc(-n6c7ccccc7c7ccccc76)c4C5)c3)cc2)cc1.c1ccc(-c2ccc(-c3cccc(-c4cccc5c4Cc4c-5cccc4-n4c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)c3)cc2)cc1.c1ccc(-c2ccc(-c3cccc(-c4cccc5c4Cc4ccc(-n6c7ccccc7c7ccccc76)cc4-5)c3)cc2)cc1 |
| InChI | InChI=1S/C55H36N2.2C43H29N/c1-2-13-36(14-3-1)37-27-29-38(30-28-37)39-15-10-16-40(33-39)42-20-11-21-43-44-22-12-26-54(50(44)35-48(42)43)57-53-25-9-6-19-47(53)49-34-41(31-32-55(49)57)56-51-23-7-4-17-45(51)46-18-5-8-24-52(46)56;1-2-11-29(12-3-1)30-23-25-31(26-24-30)32-13-8-14-33(27-32)35-18-9-15-34-28-39-38(43(34)35)19-10-22-42(39)44-40-20-6-4-16-36(40)37-17-5-7-21-41(37)44;1-2-10-29(11-3-1)30-20-22-31(23-21-30)32-12-8-13-33(26-32)36-16-9-17-37-40-28-35(25-24-34(40)27-41(36)37)44-42-18-6-4-14-38(42)39-15-5-7-19-43(39)44/h1-34H,35H2;1-27H,28H2;1-26,28H,27H2 |
| InChIKey | IZDIFHKNAFDHJM-UHFFFAOYSA-N |
| XLogP | 37.16 |
| TPSA | 19.72 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 4 |
| Rotatable Bonds | 13 |
| Heavy Atoms | 145 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1844.33 |
| LogP ≤ 5 | 37.16 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 4 |