C193H128N10O2 — CID 157079471
2-[4-[1-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-2,3-diphenylbenzo[g]indol-6-yl]phenyl]-1,3-benzoxazole;3-(1-naphthalen-2-yl-2,3-diphenylbenzo[g]indol-6-yl)-1,10-phenanthroline;2-[4-(1-naphthalen-2-yl-2,3-diphenylbenzo[g]indol-6-yl)phenyl]-1,3-benzoxazole;1-naphthalen-2-yl-2,3-diphenyl-6-(6-quinolin-3-yl-3-pyridinyl)benzo[g]indole (PubChem CID 157079471) has the molecular formula C193H128N10O2 and a molecular weight of 2619.21 g/mol. Its IUPAC name is 2-[4-[1-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-2,3-diphenylbenzo[g]indol-6-yl]phenyl]-1,3-benzoxazole;3-(1-naphthalen-2-yl-2,3-diphenylbenzo[g]indol-6-yl)-1,10-phenanthroline;2-[4-(1-naphthalen-2-yl-2,3-diphenylbenzo[g]indol-6-yl)phenyl]-1,3-benzoxazole;1-naphthalen-2-yl-2,3-diphenyl-6-(6-quinolin-3-yl-3-pyridinyl)benzo[g]indole.
| Compound Name | 2-[4-[1-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-2,3-diphenylbenzo[g]indol-6-yl]phenyl]-1,3-benzoxazole;3-(1-naphthalen-2-yl-2,3-diphenylbenzo[g]indol-6-yl)-1,10-phenanthroline;2-[4-(1-naphthalen-2-yl-2,3-diphenylbenzo[g]indol-6-yl)phenyl]-1,3-benzoxazole;1-naphthalen-2-yl-2,3-diphenyl-6-(6-quinolin-3-yl-3-pyridinyl)benzo[g]indole |
|---|---|
| PubChem CID | 157079471 |
| Molecular Formula | C193H128N10O2 |
| Molecular Weight | 2619.21 g/mol |
| Exact Mass | 2617.02 |
| IUPAC Name | 2-[4-[1-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-2,3-diphenylbenzo[g]indol-6-yl]phenyl]-1,3-benzoxazole;3-(1-naphthalen-2-yl-2,3-diphenylbenzo[g]indol-6-yl)-1,10-phenanthroline;2-[4-(1-naphthalen-2-yl-2,3-diphenylbenzo[g]indol-6-yl)phenyl]-1,3-benzoxazole;1-naphthalen-2-yl-2,3-diphenyl-6-(6-quinolin-3-yl-3-pyridinyl)benzo[g]indole |
| SMILES | CC1(C)C2=C(C=CCC2)c2ccc(-n3c(-c4ccccc4)c(-c4ccccc4)c4ccc5c(-c6ccc(-c7nc8ccccc8o7)cc6)cccc5c43)cc21.c1ccc(-c2c(-c3ccccc3)n(-c3ccc4ccccc4c3)c3c2ccc2c(-c4ccc(-c5cnc6ccccc6c5)nc4)cccc23)cc1.c1ccc(-c2c(-c3ccccc3)n(-c3ccc4ccccc4c3)c3c2ccc2c(-c4ccc(-c5nc6ccccc6o5)cc4)cccc23)cc1.c1ccc(-c2c(-c3ccccc3)n(-c3ccc4ccccc4c3)c3c2ccc2c(-c4cnc5c(ccc6cccnc65)c4)cccc23)cc1 |
| InChI | InChI=1S/C52H38N2O.C48H31N3.C47H30N2O.C46H29N3/c1-52(2)44-21-10-9-18-40(44)41-29-28-37(32-45(41)52)54-49(35-16-7-4-8-17-35)48(34-14-5-3-6-15-34)43-31-30-39-38(19-13-20-42(39)50(43)54)33-24-26-36(27-25-33)51-53-46-22-11-12-23-47(46)55-51;1-3-13-33(14-4-1)46-43-26-25-41-40(37-23-27-45(49-30-37)38-28-36-18-9-10-21-44(36)50-31-38)19-11-20-42(41)48(43)51(47(46)34-15-5-2-6-16-34)39-24-22-32-12-7-8-17-35(32)29-39;1-3-13-33(14-4-1)44-41-29-28-39-38(32-22-24-35(25-23-32)47-48-42-20-9-10-21-43(42)50-47)18-11-19-40(39)46(41)49(45(44)34-15-5-2-6-16-34)37-27-26-31-12-7-8-17-36(31)30-37;1-3-12-31(13-4-1)42-41-25-24-39-38(36-27-35-21-20-32-17-10-26-47-43(32)44(35)48-29-36)18-9-19-40(39)46(41)49(45(42)33-14-5-2-6-15-33)37-23-22-30-11-7-8-16-34(30)28-37/h3-9,11-20,22-32H,10,21H2,1-2H3;1-31H;1-30H;1-29H |
| InChIKey | ADJAHNPLCUSOGZ-UHFFFAOYSA-N |
| XLogP | 51.32 |
| TPSA | 123.34 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 12 |
| Rotatable Bonds | 19 |
| Heavy Atoms | 205 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2619.21 |
| LogP ≤ 5 | 51.32 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 12 |
| Structural Alerts | {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'} |
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