C160H108N4 — CID 158727335
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-9,9-diphenylfluoren-2-amine;N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-9,9-diphenylfluoren-2-amine (PubChem CID 158727335) has the molecular formula C160H108N4 and a molecular weight of 2086.65 g/mol. Its IUPAC name is N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-9,9-diphenylfluoren-2-amine;N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-9,9-diphenylfluoren-2-amine.
| Compound Name | N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-9,9-diphenylfluoren-2-amine;N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-9,9-diphenylfluoren-2-amine |
|---|---|
| PubChem CID | 158727335 |
| Molecular Formula | C160H108N4 |
| Molecular Weight | 2086.65 g/mol |
| Exact Mass | 2084.86 |
| IUPAC Name | N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-9,9-diphenylfluoren-2-amine;N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-9,9-diphenylfluoren-2-amine |
| SMILES | c1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(N(c4ccc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)cc4)c4ccc(-c5cccc6c5-c5ccccc5C6(c5ccccc5)c5ccccc5)cc4)cc32)cc1.c1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(N(c4ccc(-c5cccc(-n6c7ccccc7c7ccccc76)c5)cc4)c4ccc(-c5cccc6c5-c5ccccc5C6(c5ccccc5)c5ccccc5)cc4)cc32)cc1 |
| InChI | InChI=1S/2C80H54N2/c1-5-24-58(25-6-1)79(59-26-7-2-8-27-59)73-39-18-14-36-71(73)78-66(37-22-40-74(78)79)56-45-49-63(50-46-56)81(62-47-43-55(44-48-62)57-23-21-32-64(53-57)82-76-41-19-15-34-69(76)70-35-16-20-42-77(70)82)65-51-52-68-67-33-13-17-38-72(67)80(75(68)54-65,60-28-9-3-10-29-60)61-30-11-4-12-31-61;1-5-22-58(23-6-1)79(59-24-7-2-8-25-59)73-36-18-14-33-71(73)78-66(34-21-37-74(78)79)57-44-50-63(51-45-57)81(62-46-40-55(41-47-62)56-42-48-64(49-43-56)82-76-38-19-15-31-69(76)70-32-16-20-39-77(70)82)65-52-53-68-67-30-13-17-35-72(67)80(75(68)54-65,60-26-9-3-10-27-60)61-28-11-4-12-29-61/h2*1-54H |
| InChIKey | IKRCKJYQSPRSNI-UHFFFAOYSA-N |
| XLogP | 40.63 |
| TPSA | 16.34 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 4 |
| Rotatable Bonds | 20 |
| Heavy Atoms | 164 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2086.65 |
| LogP ≤ 5 | 40.63 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 4 |