C208H132N12 — CID 158307725
2-(7,7-diphenylbenzo[c]fluoren-2-yl)-4,6-dinaphthalen-1-yl-1,3,5-triazine;2-(7,7-diphenylbenzo[c]fluoren-4-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine;2-(7,7-diphenylbenzo[c]fluoren-1-yl)-4-naphthalen-1-yl-6-naphthalen-2-yl-1,3,5-triazine;2-(7,7-diphenylbenzo[c]fluoren-3-yl)-4-naphthalen-1-yl-6-naphthalen-2-yl-1,3,5-triazine (PubChem CID 158307725) has the molecular formula C208H132N12 and a molecular weight of 2799.43 g/mol. Its IUPAC name is 2-(7,7-diphenylbenzo[c]fluoren-2-yl)-4,6-dinaphthalen-1-yl-1,3,5-triazine;2-(7,7-diphenylbenzo[c]fluoren-4-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine;2-(7,7-diphenylbenzo[c]fluoren-1-yl)-4-naphthalen-1-yl-6-naphthalen-2-yl-1,3,5-triazine;2-(7,7-diphenylbenzo[c]fluoren-3-yl)-4-naphthalen-1-yl-6-naphthalen-2-yl-1,3,5-triazine.
| Compound Name | 2-(7,7-diphenylbenzo[c]fluoren-2-yl)-4,6-dinaphthalen-1-yl-1,3,5-triazine;2-(7,7-diphenylbenzo[c]fluoren-4-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine;2-(7,7-diphenylbenzo[c]fluoren-1-yl)-4-naphthalen-1-yl-6-naphthalen-2-yl-1,3,5-triazine;2-(7,7-diphenylbenzo[c]fluoren-3-yl)-4-naphthalen-1-yl-6-naphthalen-2-yl-1,3,5-triazine |
|---|---|
| PubChem CID | 158307725 |
| Molecular Formula | C208H132N12 |
| Molecular Weight | 2799.43 g/mol |
| Exact Mass | 2797.07 |
| IUPAC Name | 2-(7,7-diphenylbenzo[c]fluoren-2-yl)-4,6-dinaphthalen-1-yl-1,3,5-triazine;2-(7,7-diphenylbenzo[c]fluoren-4-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine;2-(7,7-diphenylbenzo[c]fluoren-1-yl)-4-naphthalen-1-yl-6-naphthalen-2-yl-1,3,5-triazine;2-(7,7-diphenylbenzo[c]fluoren-3-yl)-4-naphthalen-1-yl-6-naphthalen-2-yl-1,3,5-triazine |
| SMILES | c1ccc(C2(c3ccccc3)c3ccccc3-c3c2ccc2c(-c4nc(-c5ccc6ccccc6c5)nc(-c5ccc6ccccc6c5)n4)cccc32)cc1.c1ccc(C2(c3ccccc3)c3ccccc3-c3c2ccc2cc(-c4nc(-c5ccc6ccccc6c5)nc(-c5cccc6ccccc56)n4)ccc32)cc1.c1ccc(C2(c3ccccc3)c3ccccc3-c3c2ccc2ccc(-c4nc(-c5cccc6ccccc56)nc(-c5cccc6ccccc56)n4)cc32)cc1.c1ccc(C2(c3ccccc3)c3ccccc3-c3c2ccc2cccc(-c4nc(-c5ccc6ccccc6c5)nc(-c5cccc6ccccc56)n4)c32)cc1 |
| InChI | InChI=1S/4C52H33N3/c1-3-19-38(20-4-1)52(39-21-5-2-6-22-39)46-28-12-11-25-44(46)48-45-33-37(30-29-36(45)31-32-47(48)52)49-53-50(42-26-13-17-34-15-7-9-23-40(34)42)55-51(54-49)43-27-14-18-35-16-8-10-24-41(35)43;1-3-18-40(19-4-1)52(41-20-5-2-6-21-41)46-25-12-11-22-45(46)48-43-23-13-24-44(42(43)30-31-47(48)52)51-54-49(38-28-26-34-14-7-9-16-36(34)32-38)53-50(55-51)39-29-27-35-15-8-10-17-37(35)33-39;1-3-20-39(21-4-1)52(40-22-5-2-6-23-40)45-28-12-11-25-43(45)48-46(52)32-31-36-19-14-27-44(47(36)48)51-54-49(38-30-29-34-15-7-8-17-37(34)33-38)53-50(55-51)42-26-13-18-35-16-9-10-24-41(35)42;1-3-18-40(19-4-1)52(41-20-5-2-6-21-41)46-25-12-11-23-45(46)48-43-30-28-39(33-37(43)29-31-47(48)52)50-53-49(38-27-26-34-14-7-8-16-36(34)32-38)54-51(55-50)44-24-13-17-35-15-9-10-22-42(35)44/h4*1-33H |
| InChIKey | GNHHFDNHDHMNQA-UHFFFAOYSA-N |
| XLogP | 50.78 |
| TPSA | 154.68 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 12 |
| Rotatable Bonds | 20 |
| Heavy Atoms | 220 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2799.43 |
| LogP ≤ 5 | 50.78 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 12 |