C214H139N3 — CID 161197016
N-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-10-naphthalen-1-yl-N-phenylanthracen-9-amine;N-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-10-naphthalen-2-yl-N-phenylanthracen-9-amine;N-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-N-phenyl-10-[3-[(E)-2-phenylethenyl]phenyl]anthracen-9-amine (PubChem CID 161197016) has the molecular formula C214H139N3 and a molecular weight of 2752.49 g/mol. Its IUPAC name is N-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-10-naphthalen-1-yl-N-phenylanthracen-9-amine;N-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-10-naphthalen-2-yl-N-phenylanthracen-9-amine;N-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-N-phenyl-10-[3-[(E)-2-phenylethenyl]phenyl]anthracen-9-amine.
| Compound Name | N-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-10-naphthalen-1-yl-N-phenylanthracen-9-amine;N-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-10-naphthalen-2-yl-N-phenylanthracen-9-amine;N-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-N-phenyl-10-[3-[(E)-2-phenylethenyl]phenyl]anthracen-9-amine |
|---|---|
| PubChem CID | 161197016 |
| Molecular Formula | C214H139N3 |
| Molecular Weight | 2752.49 g/mol |
| Exact Mass | 2750.10 |
| IUPAC Name | N-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-10-naphthalen-1-yl-N-phenylanthracen-9-amine;N-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-10-naphthalen-2-yl-N-phenylanthracen-9-amine;N-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-N-phenyl-10-[3-[(E)-2-phenylethenyl]phenyl]anthracen-9-amine |
| SMILES | C(=C/c1cccc(-c2c3ccccc3c(N(c3ccccc3)c3ccc(-c4ccc5c(-c6ccc7ccccc7c6)c6ccccc6c(-c6ccc7ccccc7c6)c5c4)cc3)c3ccccc23)c1)\c1ccccc1.c1ccc(N(c2ccc(-c3ccc4c(-c5ccc6ccccc6c5)c5ccccc5c(-c5ccc6ccccc6c5)c4c3)cc2)c2c3ccccc3c(-c3ccc4ccccc4c3)c3ccccc23)cc1.c1ccc(N(c2ccc(-c3ccc4c(-c5ccc6ccccc6c5)c5ccccc5c(-c5ccc6ccccc6c5)c4c3)cc2)c2c3ccccc3c(-c3cccc4ccccc34)c3ccccc23)cc1 |
| InChI | InChI=1S/C74H49N.2C70H45N/c1-3-18-50(19-4-1)34-35-51-20-17-25-58(46-51)71-65-30-13-15-32-68(65)74(69-33-16-14-31-66(69)71)75(61-26-5-2-6-27-61)62-43-40-54(41-44-62)57-42-45-67-70(49-57)73(60-39-37-53-22-8-10-24-56(53)48-60)64-29-12-11-28-63(64)72(67)59-38-36-52-21-7-9-23-55(52)47-59;1-2-22-57(23-3-1)71(70-64-28-14-12-26-61(64)68(62-27-13-15-29-65(62)70)55-34-31-47-17-5-8-20-51(47)43-55)58-39-36-49(37-40-58)53-38-41-63-66(45-53)69(56-35-32-48-18-6-9-21-52(48)44-56)60-25-11-10-24-59(60)67(63)54-33-30-46-16-4-7-19-50(46)42-54;1-2-23-55(24-3-1)71(70-64-30-14-12-28-61(64)69(62-29-13-15-31-65(62)70)58-32-16-22-49-19-8-9-25-57(49)58)56-40-37-48(38-41-56)52-39-42-63-66(45-52)68(54-36-34-47-18-5-7-21-51(47)44-54)60-27-11-10-26-59(60)67(63)53-35-33-46-17-4-6-20-50(46)43-53/h1-49H;2*1-45H/b35-34+;; |
| InChIKey | UUMBMPUVRGYXGB-KGNAMTJXSA-N |
| XLogP | 60.71 |
| TPSA | 9.72 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 3 |
| Rotatable Bonds | 23 |
| Heavy Atoms | 217 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2752.49 |
| LogP ≤ 5 | 60.71 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 3 |
| Structural Alerts | {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'} |
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