C312H205N18+ — CID 162210561
4,7-bis(4-naphthalen-1-ylphenyl)-1,10-phenanthroline;4-(3-carbazol-9-ylphenyl)-7-[1-(9H-fluoren-9-yl)pyridin-1-ium-3-yl]-1,10-phenanthroline;2,9-dinaphthalen-2-yl-4,7-diphenyl-1,10-phenanthroline;4,7-diphenyl-2,9-bis(3-phenylphenyl)-1,10-phenanthroline;N,N-diphenyl-3-[7-[3-(N-phenylanilino)phenyl]-1,10-phenanthrolin-4-yl]aniline;2-naphthalen-1-yl-4,7,9-triphenyl-1,10-phenanthroline;2-naphthalen-2-yl-4,7,9-triphenyl-1,10-phenanthroline (PubChem CID 162210561) has the molecular formula C312H205N18+ and a molecular weight of 4206.20 g/mol. Its IUPAC name is 4,7-bis(4-naphthalen-1-ylphenyl)-1,10-phenanthroline;4-(3-carbazol-9-ylphenyl)-7-[1-(9H-fluoren-9-yl)pyridin-1-ium-3-yl]-1,10-phenanthroline;2,9-dinaphthalen-2-yl-4,7-diphenyl-1,10-phenanthroline;4,7-diphenyl-2,9-bis(3-phenylphenyl)-1,10-phenanthroline;N,N-diphenyl-3-[7-[3-(N-phenylanilino)phenyl]-1,10-phenanthrolin-4-yl]aniline;2-naphthalen-1-yl-4,7,9-triphenyl-1,10-phenanthroline;2-naphthalen-2-yl-4,7,9-triphenyl-1,10-phenanthroline.
| Compound Name | 4,7-bis(4-naphthalen-1-ylphenyl)-1,10-phenanthroline;4-(3-carbazol-9-ylphenyl)-7-[1-(9H-fluoren-9-yl)pyridin-1-ium-3-yl]-1,10-phenanthroline;2,9-dinaphthalen-2-yl-4,7-diphenyl-1,10-phenanthroline;4,7-diphenyl-2,9-bis(3-phenylphenyl)-1,10-phenanthroline;N,N-diphenyl-3-[7-[3-(N-phenylanilino)phenyl]-1,10-phenanthrolin-4-yl]aniline;2-naphthalen-1-yl-4,7,9-triphenyl-1,10-phenanthroline;2-naphthalen-2-yl-4,7,9-triphenyl-1,10-phenanthroline |
|---|---|
| PubChem CID | 162210561 |
| Molecular Formula | C312H205N18+ |
| Molecular Weight | 4206.20 g/mol |
| Exact Mass | 4202.66 |
| IUPAC Name | 4,7-bis(4-naphthalen-1-ylphenyl)-1,10-phenanthroline;4-(3-carbazol-9-ylphenyl)-7-[1-(9H-fluoren-9-yl)pyridin-1-ium-3-yl]-1,10-phenanthroline;2,9-dinaphthalen-2-yl-4,7-diphenyl-1,10-phenanthroline;4,7-diphenyl-2,9-bis(3-phenylphenyl)-1,10-phenanthroline;N,N-diphenyl-3-[7-[3-(N-phenylanilino)phenyl]-1,10-phenanthrolin-4-yl]aniline;2-naphthalen-1-yl-4,7,9-triphenyl-1,10-phenanthroline;2-naphthalen-2-yl-4,7,9-triphenyl-1,10-phenanthroline |
| SMILES | c1cc(-c2ccnc3c2ccc2c(-c4ccc[n+](C5c6ccccc6-c6ccccc65)c4)ccnc23)cc(-n2c3ccccc3c3ccccc32)c1.c1ccc(-c2cc(-c3ccc4ccccc4c3)nc3c2ccc2c(-c4ccccc4)cc(-c4ccc5ccccc5c4)nc23)cc1.c1ccc(-c2cc(-c3ccccc3)c3ccc4c(-c5ccccc5)cc(-c5ccc6ccccc6c5)nc4c3n2)cc1.c1ccc(-c2cc(-c3ccccc3)c3ccc4c(-c5ccccc5)cc(-c5cccc6ccccc56)nc4c3n2)cc1.c1ccc(-c2cccc(-c3cc(-c4ccccc4)c4ccc5c(-c6ccccc6)cc(-c6cccc(-c7ccccc7)c6)nc5c4n3)c2)cc1.c1ccc(N(c2ccccc2)c2cccc(-c3ccnc4c3ccc3c(-c5cccc(N(c6ccccc6)c6ccccc6)c5)ccnc34)c2)cc1.c1ccc2c(-c3ccc(-c4ccnc5c4ccc4c(-c6ccc(-c7cccc8ccccc78)cc6)ccnc45)cc3)cccc2c1 |
| InChI | InChI=1S/C48H31N4.C48H34N4.C48H32N2.2C44H28N2.2C40H26N2/c1-3-18-42-36(14-1)37-15-2-4-19-43(37)48(42)51-28-10-12-32(30-51)35-25-27-50-47-41(35)23-22-40-34(24-26-49-46(40)47)31-11-9-13-33(29-31)52-44-20-7-5-16-38(44)39-17-6-8-21-45(39)52;1-5-17-37(18-6-1)51(38-19-7-2-8-20-38)41-25-13-15-35(33-41)43-29-31-49-47-45(43)27-28-46-44(30-32-50-48(46)47)36-16-14-26-42(34-36)52(39-21-9-3-10-22-39)40-23-11-4-12-24-40;1-5-15-33(16-6-1)37-23-13-25-39(29-37)45-31-43(35-19-9-3-10-20-35)41-27-28-42-44(36-21-11-4-12-22-36)32-46(50-48(42)47(41)49-45)40-26-14-24-38(30-40)34-17-7-2-8-18-34;1-3-11-35-29(7-1)9-5-13-37(35)31-15-19-33(20-16-31)39-25-27-45-43-41(39)23-24-42-40(26-28-46-44(42)43)34-21-17-32(18-22-34)38-14-6-10-30-8-2-4-12-36(30)38;1-3-13-31(14-4-1)39-27-41(35-21-19-29-11-7-9-17-33(29)25-35)45-43-37(39)23-24-38-40(32-15-5-2-6-16-32)28-42(46-44(38)43)36-22-20-30-12-8-10-18-34(30)26-36;1-4-13-28(14-5-1)35-25-37(30-18-8-3-9-19-30)41-39-33(35)23-24-34-36(29-15-6-2-7-16-29)26-38(42-40(34)39)32-22-12-20-27-17-10-11-21-31(27)32;1-4-13-28(14-5-1)35-25-37(30-17-8-3-9-18-30)41-39-33(35)22-23-34-36(29-15-6-2-7-16-29)26-38(42-40(34)39)32-21-20-27-12-10-11-19-31(27)24-32/h1-30,48H;1-34H;1-32H;2*1-28H;2*1-26H/q+1;;;;;; |
| InChIKey | GRCUXUSSHJLQIQ-UHFFFAOYSA-N |
| XLogP | 81.68 |
| TPSA | 195.75 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 17 |
| Rotatable Bonds | 34 |
| Heavy Atoms | 330 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4206.20 |
| LogP ≤ 5 | 81.68 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 17 |