C374H254N6O2S4Si2 — CID 159366761
2,7-bis(4-methoxyphenyl)-9,10-diphenylanthracene;2,7-bis(4-naphthalen-1-ylphenyl)-9,10-diphenylanthracene;3-(9,10-diphenyl-7-pyridin-3-ylanthracen-2-yl)pyridine;3-[6-[9,10-diphenyl-7-(6-pyridin-3-ylpyren-1-yl)anthracen-2-yl]pyren-1-yl]pyridine;2-(9,10-diphenyl-7-thiophen-2-ylanthracen-2-yl)thiophene;2-[4-[9,10-diphenyl-7-(4-thiophen-2-ylnaphthalen-1-yl)anthracen-2-yl]naphthalen-1-yl]thiophene;[4-[9,10-diphenyl-7-(4-trimethylsilylphenyl)anthracen-2-yl]phenyl]-trimethylsilane;4-[7-(4-isocyanophenyl)-9,10-diphenylanthracen-2-yl]benzonitrile (PubChem CID 159366761) has the molecular formula C374H254N6O2S4Si2 and a molecular weight of 5048.63 g/mol. Its IUPAC name is 2,7-bis(4-methoxyphenyl)-9,10-diphenylanthracene;2,7-bis(4-naphthalen-1-ylphenyl)-9,10-diphenylanthracene;3-(9,10-diphenyl-7-pyridin-3-ylanthracen-2-yl)pyridine;3-[6-[9,10-diphenyl-7-(6-pyridin-3-ylpyren-1-yl)anthracen-2-yl]pyren-1-yl]pyridine;2-(9,10-diphenyl-7-thiophen-2-ylanthracen-2-yl)thiophene;2-[4-[9,10-diphenyl-7-(4-thiophen-2-ylnaphthalen-1-yl)anthracen-2-yl]naphthalen-1-yl]thiophene;[4-[9,10-diphenyl-7-(4-trimethylsilylphenyl)anthracen-2-yl]phenyl]-trimethylsilane;4-[7-(4-isocyanophenyl)-9,10-diphenylanthracen-2-yl]benzonitrile.
| Compound Name | 2,7-bis(4-methoxyphenyl)-9,10-diphenylanthracene;2,7-bis(4-naphthalen-1-ylphenyl)-9,10-diphenylanthracene;3-(9,10-diphenyl-7-pyridin-3-ylanthracen-2-yl)pyridine;3-[6-[9,10-diphenyl-7-(6-pyridin-3-ylpyren-1-yl)anthracen-2-yl]pyren-1-yl]pyridine;2-(9,10-diphenyl-7-thiophen-2-ylanthracen-2-yl)thiophene;2-[4-[9,10-diphenyl-7-(4-thiophen-2-ylnaphthalen-1-yl)anthracen-2-yl]naphthalen-1-yl]thiophene;[4-[9,10-diphenyl-7-(4-trimethylsilylphenyl)anthracen-2-yl]phenyl]-trimethylsilane;4-[7-(4-isocyanophenyl)-9,10-diphenylanthracen-2-yl]benzonitrile |
|---|---|
| PubChem CID | 159366761 |
| Molecular Formula | C374H254N6O2S4Si2 |
| Molecular Weight | 5048.63 g/mol |
| Exact Mass | 5043.84 |
| IUPAC Name | 2,7-bis(4-methoxyphenyl)-9,10-diphenylanthracene;2,7-bis(4-naphthalen-1-ylphenyl)-9,10-diphenylanthracene;3-(9,10-diphenyl-7-pyridin-3-ylanthracen-2-yl)pyridine;3-[6-[9,10-diphenyl-7-(6-pyridin-3-ylpyren-1-yl)anthracen-2-yl]pyren-1-yl]pyridine;2-(9,10-diphenyl-7-thiophen-2-ylanthracen-2-yl)thiophene;2-[4-[9,10-diphenyl-7-(4-thiophen-2-ylnaphthalen-1-yl)anthracen-2-yl]naphthalen-1-yl]thiophene;[4-[9,10-diphenyl-7-(4-trimethylsilylphenyl)anthracen-2-yl]phenyl]-trimethylsilane;4-[7-(4-isocyanophenyl)-9,10-diphenylanthracen-2-yl]benzonitrile |
| SMILES | COc1ccc(-c2ccc3c(-c4ccccc4)c4ccc(-c5ccc(OC)cc5)cc4c(-c4ccccc4)c3c2)cc1.C[Si](C)(C)c1ccc(-c2ccc3c(-c4ccccc4)c4ccc(-c5ccc([Si](C)(C)C)cc5)cc4c(-c4ccccc4)c3c2)cc1.[C-]#[N+]c1ccc(-c2ccc3c(-c4ccccc4)c4ccc(-c5ccc(C#N)cc5)cc4c(-c4ccccc4)c3c2)cc1.c1ccc(-c2c3ccc(-c4ccc(-c5cccc6ccccc56)cc4)cc3c(-c3ccccc3)c3cc(-c4ccc(-c5cccc6ccccc56)cc4)ccc23)cc1.c1ccc(-c2c3ccc(-c4ccc(-c5cccs5)c5ccccc45)cc3c(-c3ccccc3)c3cc(-c4ccc(-c5cccs5)c5ccccc45)ccc23)cc1.c1ccc(-c2c3ccc(-c4ccc5ccc6c(-c7cccnc7)ccc7ccc4c5c76)cc3c(-c3ccccc3)c3cc(-c4ccc5ccc6c(-c7cccnc7)ccc7ccc4c5c76)ccc23)cc1.c1ccc(-c2c3ccc(-c4cccnc4)cc3c(-c3ccccc3)c3cc(-c4cccnc4)ccc23)cc1.c1ccc(-c2c3ccc(-c4cccs4)cc3c(-c3ccccc3)c3cc(-c4cccs4)ccc23)cc1 |
| InChI | InChI=1S/C68H40N2.C58H38.C54H34S2.C44H42Si2.C40H24N2.C40H30O2.C36H24N2.C34H22S2/c1-3-9-41(10-4-1)63-59-33-23-47(51-25-15-43-21-31-57-53(49-13-7-35-69-39-49)27-17-45-19-29-55(51)65(43)67(45)57)37-61(59)64(42-11-5-2-6-12-42)62-38-48(24-34-60(62)63)52-26-16-44-22-32-58-54(50-14-8-36-70-40-50)28-18-46-20-30-56(52)66(44)68(46)58;1-3-15-45(16-4-1)57-53-35-33-47(39-25-29-43(30-26-39)51-23-11-19-41-13-7-9-21-49(41)51)37-55(53)58(46-17-5-2-6-18-46)56-38-48(34-36-54(56)57)40-27-31-44(32-28-40)52-24-12-20-42-14-8-10-22-50(42)52;1-3-13-35(14-4-1)53-47-25-23-37(39-27-29-45(51-21-11-31-55-51)43-19-9-7-17-41(39)43)33-49(47)54(36-15-5-2-6-16-36)50-34-38(24-26-48(50)53)40-28-30-46(52-22-12-32-56-52)44-20-10-8-18-42(40)44;1-45(2,3)37-23-17-31(18-24-37)35-21-27-39-41(29-35)44(34-15-11-8-12-16-34)42-30-36(32-19-25-38(26-20-32)46(4,5)6)22-28-40(42)43(39)33-13-9-7-10-14-33;1-42-34-20-16-29(17-21-34)33-19-23-36-38(25-33)40(31-10-6-3-7-11-31)37-24-32(28-14-12-27(26-41)13-15-28)18-22-35(37)39(36)30-8-4-2-5-9-30;1-41-33-19-13-27(14-20-33)31-17-23-35-37(25-31)40(30-11-7-4-8-12-30)38-26-32(28-15-21-34(42-2)22-16-28)18-24-36(38)39(35)29-9-5-3-6-10-29;1-3-9-25(10-4-1)35-31-17-15-27(29-13-7-19-37-23-29)21-33(31)36(26-11-5-2-6-12-26)34-22-28(16-18-32(34)35)30-14-8-20-38-24-30;1-3-9-23(10-4-1)33-27-17-15-25(31-13-7-19-35-31)21-29(27)34(24-11-5-2-6-12-24)30-22-26(16-18-28(30)33)32-14-8-20-36-32/h1-40H;1-38H;1-34H;7-30H,1-6H3;2-25H;3-26H,1-2H3;1-24H;1-22H |
| InChIKey | LJFNSJDAILIANW-UHFFFAOYSA-N |
| XLogP | 105.05 |
| TPSA | 98.17 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 11 |
| Rotatable Bonds | 42 |
| Heavy Atoms | 388 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 5048.63 |
| LogP ≤ 5 | 105.05 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 11 |