C156H112N4 — CID 158925284
9-ethyl-3-[4-[10-[4-(9-ethyl-6-phenylcarbazol-3-yl)phenyl]anthracen-9-yl]phenyl]-6-(4-phenylphenyl)carbazole;9-ethyl-3-[4-[4-[10-[4-[4-(9-ethyl-6-phenylcarbazol-3-yl)phenyl]phenyl]anthracen-9-yl]phenyl]phenyl]-6-(4-phenylphenyl)carbazole (PubChem CID 158925284) has the molecular formula C156H112N4 and a molecular weight of 2042.64 g/mol. Its IUPAC name is 9-ethyl-3-[4-[10-[4-(9-ethyl-6-phenylcarbazol-3-yl)phenyl]anthracen-9-yl]phenyl]-6-(4-phenylphenyl)carbazole;9-ethyl-3-[4-[4-[10-[4-[4-(9-ethyl-6-phenylcarbazol-3-yl)phenyl]phenyl]anthracen-9-yl]phenyl]phenyl]-6-(4-phenylphenyl)carbazole.
| Compound Name | 9-ethyl-3-[4-[10-[4-(9-ethyl-6-phenylcarbazol-3-yl)phenyl]anthracen-9-yl]phenyl]-6-(4-phenylphenyl)carbazole;9-ethyl-3-[4-[4-[10-[4-[4-(9-ethyl-6-phenylcarbazol-3-yl)phenyl]phenyl]anthracen-9-yl]phenyl]phenyl]-6-(4-phenylphenyl)carbazole |
|---|---|
| PubChem CID | 158925284 |
| Molecular Formula | C156H112N4 |
| Molecular Weight | 2042.64 g/mol |
| Exact Mass | 2040.89 |
| IUPAC Name | 9-ethyl-3-[4-[10-[4-(9-ethyl-6-phenylcarbazol-3-yl)phenyl]anthracen-9-yl]phenyl]-6-(4-phenylphenyl)carbazole;9-ethyl-3-[4-[4-[10-[4-[4-(9-ethyl-6-phenylcarbazol-3-yl)phenyl]phenyl]anthracen-9-yl]phenyl]phenyl]-6-(4-phenylphenyl)carbazole |
| SMILES | CCn1c2ccc(-c3ccccc3)cc2c2cc(-c3ccc(-c4c5ccccc5c(-c5ccc(-c6ccc7c(c6)c6cc(-c8ccc(-c9ccccc9)cc8)ccc6n7CC)cc5)c5ccccc45)cc3)ccc21.CCn1c2ccc(-c3ccccc3)cc2c2cc(-c3ccc(-c4ccc(-c5c6ccccc6c(-c6ccc(-c7ccc(-c8ccc9c(c8)c8cc(-c%10ccc(-c%11ccccc%11)cc%10)ccc8n9CC)cc7)cc6)c6ccccc56)cc4)cc3)ccc21 |
| InChI | InChI=1S/C84H60N2.C72H52N2/c1-3-85-79-47-43-67(56-17-9-6-10-18-56)51-75(79)76-52-69(45-48-80(76)85)63-31-25-58(26-32-63)60-35-39-65(40-36-60)83-71-19-11-13-21-73(71)84(74-22-14-12-20-72(74)83)66-41-37-61(38-42-66)59-27-33-64(34-28-59)70-46-50-82-78(54-70)77-53-68(44-49-81(77)86(82)4-2)62-29-23-57(24-30-62)55-15-7-5-8-16-55;1-3-73-67-39-35-55(48-17-9-6-10-18-48)43-63(67)64-45-57(37-41-68(64)73)51-27-31-53(32-28-51)71-59-19-11-13-21-61(59)72(62-22-14-12-20-60(62)71)54-33-29-52(30-34-54)58-38-42-70-66(46-58)65-44-56(36-40-69(65)74(70)4-2)50-25-23-49(24-26-50)47-15-7-5-8-16-47/h5-54H,3-4H2,1-2H3;5-46H,3-4H2,1-2H3 |
| InChIKey | JIJBTOMXZKGZDT-UHFFFAOYSA-N |
| XLogP | 43.17 |
| TPSA | 19.72 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 4 |
| Rotatable Bonds | 20 |
| Heavy Atoms | 160 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2042.64 |
| LogP ≤ 5 | 43.17 |
| 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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