C226H149N9 — CID 159134168
10-[3,5-bis(9-phenylcarbazol-2-yl)phenyl]-N,N-bis(4-phenylphenyl)anthracen-9-amine;10-[3,5-bis(9-phenylcarbazol-2-yl)phenyl]-N-naphthalen-2-yl-N-phenylanthracen-9-amine;10-[3,5-bis(9-phenylcarbazol-2-yl)phenyl]-N-phenyl-N-(4-phenylphenyl)anthracen-9-amine (PubChem CID 159134168) has the molecular formula C226H149N9 and a molecular weight of 2990.74 g/mol. Its IUPAC name is 10-[3,5-bis(9-phenylcarbazol-2-yl)phenyl]-N,N-bis(4-phenylphenyl)anthracen-9-amine;10-[3,5-bis(9-phenylcarbazol-2-yl)phenyl]-N-naphthalen-2-yl-N-phenylanthracen-9-amine;10-[3,5-bis(9-phenylcarbazol-2-yl)phenyl]-N-phenyl-N-(4-phenylphenyl)anthracen-9-amine.
| Compound Name | 10-[3,5-bis(9-phenylcarbazol-2-yl)phenyl]-N,N-bis(4-phenylphenyl)anthracen-9-amine;10-[3,5-bis(9-phenylcarbazol-2-yl)phenyl]-N-naphthalen-2-yl-N-phenylanthracen-9-amine;10-[3,5-bis(9-phenylcarbazol-2-yl)phenyl]-N-phenyl-N-(4-phenylphenyl)anthracen-9-amine |
|---|---|
| PubChem CID | 159134168 |
| Molecular Formula | C226H149N9 |
| Molecular Weight | 2990.74 g/mol |
| Exact Mass | 2988.19 |
| IUPAC Name | 10-[3,5-bis(9-phenylcarbazol-2-yl)phenyl]-N,N-bis(4-phenylphenyl)anthracen-9-amine;10-[3,5-bis(9-phenylcarbazol-2-yl)phenyl]-N-naphthalen-2-yl-N-phenylanthracen-9-amine;10-[3,5-bis(9-phenylcarbazol-2-yl)phenyl]-N-phenyl-N-(4-phenylphenyl)anthracen-9-amine |
| SMILES | c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3c4ccccc4c(-c4cc(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)cc(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)c4)c4ccccc34)cc2)cc1.c1ccc(-c2ccc(N(c3ccccc3)c3c4ccccc4c(-c4cc(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)cc(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)c4)c4ccccc34)cc2)cc1.c1ccc(N(c2ccc3ccccc3c2)c2c3ccccc3c(-c3cc(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)cc(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)c3)c3ccccc23)cc1 |
| InChI | InChI=1S/C80H53N3.C74H49N3.C72H47N3/c1-5-21-54(22-6-1)56-37-43-65(44-38-56)81(66-45-39-57(40-46-66)55-23-7-2-8-24-55)80-73-33-15-13-31-71(73)79(72-32-14-16-34-74(72)80)62-50-60(58-41-47-69-67-29-17-19-35-75(67)82(77(69)52-58)63-25-9-3-10-26-63)49-61(51-62)59-42-48-70-68-30-18-20-36-76(68)83(78(70)53-59)64-27-11-4-12-28-64;1-5-21-50(22-6-1)51-37-41-60(42-38-51)75(57-23-7-2-8-24-57)74-67-33-15-13-31-65(67)73(66-32-14-16-34-68(66)74)56-46-54(52-39-43-63-61-29-17-19-35-69(61)76(71(63)48-52)58-25-9-3-10-26-58)45-55(47-56)53-40-44-64-62-30-18-20-36-70(62)77(72(64)49-53)59-27-11-4-12-28-59;1-4-22-55(23-5-1)73(58-39-36-48-20-10-11-21-49(48)45-58)72-65-32-14-12-30-63(65)71(64-31-13-15-33-66(64)72)54-43-52(50-37-40-61-59-28-16-18-34-67(59)74(69(61)46-50)56-24-6-2-7-25-56)42-53(44-54)51-38-41-62-60-29-17-19-35-68(60)75(70(62)47-51)57-26-8-3-9-27-57/h1-53H;1-49H;1-47H |
| InChIKey | KHGQENBOFVUWDK-UHFFFAOYSA-N |
| XLogP | 62.13 |
| TPSA | 39.30 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 9 |
| Rotatable Bonds | 27 |
| Heavy Atoms | 235 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2990.74 |
| LogP ≤ 5 | 62.13 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 9 |
| Structural Alerts | {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'} |
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