C190H128N6 — CID 157149374
2-N,6-N-dinaphthalen-1-yl-9,10-dinaphthalen-2-yl-2-N,6-N-diphenylanthracene-2,6-diamine;9,10-dinaphthalen-2-yl-2-N,2-N,6-N,6-N-tetraphenylanthracene-2,6-diamine;2-N,6-N,9,10-tetranaphthalen-2-yl-2-N,6-N-diphenylanthracene-2,6-diamine (PubChem CID 157149374) has the molecular formula C190H128N6 and a molecular weight of 2495.16 g/mol. Its IUPAC name is 2-N,6-N-dinaphthalen-1-yl-9,10-dinaphthalen-2-yl-2-N,6-N-diphenylanthracene-2,6-diamine;9,10-dinaphthalen-2-yl-2-N,2-N,6-N,6-N-tetraphenylanthracene-2,6-diamine;2-N,6-N,9,10-tetranaphthalen-2-yl-2-N,6-N-diphenylanthracene-2,6-diamine.
| Compound Name | 2-N,6-N-dinaphthalen-1-yl-9,10-dinaphthalen-2-yl-2-N,6-N-diphenylanthracene-2,6-diamine;9,10-dinaphthalen-2-yl-2-N,2-N,6-N,6-N-tetraphenylanthracene-2,6-diamine;2-N,6-N,9,10-tetranaphthalen-2-yl-2-N,6-N-diphenylanthracene-2,6-diamine |
|---|---|
| PubChem CID | 157149374 |
| Molecular Formula | C190H128N6 |
| Molecular Weight | 2495.16 g/mol |
| Exact Mass | 2493.02 |
| IUPAC Name | 2-N,6-N-dinaphthalen-1-yl-9,10-dinaphthalen-2-yl-2-N,6-N-diphenylanthracene-2,6-diamine;9,10-dinaphthalen-2-yl-2-N,2-N,6-N,6-N-tetraphenylanthracene-2,6-diamine;2-N,6-N,9,10-tetranaphthalen-2-yl-2-N,6-N-diphenylanthracene-2,6-diamine |
| SMILES | c1ccc(N(c2ccc3c(-c4ccc5ccccc5c4)c4cc(N(c5ccccc5)c5cccc6ccccc56)ccc4c(-c4ccc5ccccc5c4)c3c2)c2cccc3ccccc23)cc1.c1ccc(N(c2ccc3ccccc3c2)c2ccc3c(-c4ccc5ccccc5c4)c4cc(N(c5ccccc5)c5ccc6ccccc6c5)ccc4c(-c4ccc5ccccc5c4)c3c2)cc1.c1ccc(N(c2ccccc2)c2ccc3c(-c4ccc5ccccc5c4)c4cc(N(c5ccccc5)c5ccccc5)ccc4c(-c4ccc5ccccc5c4)c3c2)cc1 |
| InChI | InChI=1S/2C66H44N2.C58H40N2/c1-3-23-55(24-4-1)67(57-33-31-47-17-9-13-21-51(47)41-57)59-35-37-61-63(43-59)65(53-29-27-45-15-7-11-19-49(45)39-53)62-38-36-60(44-64(62)66(61)54-30-28-46-16-8-12-20-50(46)40-54)68(56-25-5-2-6-26-56)58-34-32-48-18-10-14-22-52(48)42-58;1-3-25-53(26-4-1)67(63-31-15-23-47-19-11-13-29-57(47)63)55-37-39-59-61(43-55)65(51-35-33-45-17-7-9-21-49(45)41-51)60-40-38-56(44-62(60)66(59)52-36-34-46-18-8-10-22-50(46)42-52)68(54-27-5-2-6-28-54)64-32-16-24-48-20-12-14-30-58(48)64;1-5-21-47(22-6-1)59(48-23-7-2-8-24-48)51-33-35-53-55(39-51)57(45-31-29-41-17-13-15-19-43(41)37-45)54-36-34-52(60(49-25-9-3-10-26-49)50-27-11-4-12-28-50)40-56(54)58(53)46-32-30-42-18-14-16-20-44(42)38-46/h2*1-44H;1-40H |
| InChIKey | ALBQYOSIWNJHRO-UHFFFAOYSA-N |
| XLogP | 54.33 |
| TPSA | 19.44 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 6 |
| Rotatable Bonds | 24 |
| Heavy Atoms | 196 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2495.16 |
| LogP ≤ 5 | 54.33 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 6 |
| Structural Alerts | {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'} |
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