C132H90N4 — CID 157202960
9,9-diphenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine;4-methyl-N-[4-(10-phenylanthracen-9-yl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline (PubChem CID 157202960) has the molecular formula C132H90N4 and a molecular weight of 1732.20 g/mol. Its IUPAC name is 9,9-diphenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine;4-methyl-N-[4-(10-phenylanthracen-9-yl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline.
| Compound Name | 9,9-diphenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine;4-methyl-N-[4-(10-phenylanthracen-9-yl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline |
|---|---|
| PubChem CID | 157202960 |
| Molecular Formula | C132H90N4 |
| Molecular Weight | 1732.20 g/mol |
| Exact Mass | 1730.72 |
| IUPAC Name | 9,9-diphenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine;4-methyl-N-[4-(10-phenylanthracen-9-yl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline |
| SMILES | Cc1ccc(N(c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc2)c2ccc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)cc2)cc1.c1ccc(-c2c3ccccc3c(-c3ccc(N(c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc4)c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)cc3)c3ccccc23)cc1 |
| InChI | InChI=1S/C75H50N2.C57H40N2/c1-5-21-52(22-6-1)73-64-31-13-15-33-66(64)74(67-34-16-14-32-65(67)73)53-39-44-59(45-40-53)76(58-42-37-51(38-43-58)54-41-48-72-68(49-54)63-30-18-20-36-71(63)77(72)57-27-11-4-12-28-57)60-46-47-62-61-29-17-19-35-69(61)75(70(62)50-60,55-23-7-2-8-24-55)56-25-9-3-10-26-56;1-39-24-31-45(32-25-39)58(46-33-26-40(27-34-46)43-30-37-55-53(38-43)48-18-12-13-23-54(48)59(55)44-16-6-3-7-17-44)47-35-28-42(29-36-47)57-51-21-10-8-19-49(51)56(41-14-4-2-5-15-41)50-20-9-11-22-52(50)57/h1-50H;2-38H,1H3 |
| InChIKey | ARAAZNXGDYHXDL-UHFFFAOYSA-N |
| XLogP | 35.79 |
| TPSA | 16.34 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 4 |
| Rotatable Bonds | 16 |
| Heavy Atoms | 136 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1732.20 |
| LogP ≤ 5 | 35.79 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 4 |
| Structural Alerts | {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'} |
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