C512H346 — CID 164977935
7-tert-butyl-1-[7-(7-tert-butylpyren-1-yl)-9,9-dimethylfluoren-2-yl]pyrene;7-tert-butyl-1-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]pyrene;1-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]pyrene;1-(9,9-dimethyl-7-pyren-1-ylfluoren-2-yl)pyrene;9,10-diphenyl-2-(10-phenylanthracen-9-yl)anthracene;9-naphthalen-1-yl-10-naphthalen-2-ylanthracene;3-(6-naphthalen-2-ylnaphthalen-2-yl)chrysene;9-naphthalen-2-yl-10-(4-phenylphenyl)anthracene;9-phenyl-10-(10-phenylanthracen-9-yl)anthracene;2-(6-phenylpyren-1-yl)triphenylene;2-[3-(3-triphenylen-2-ylphenyl)phenyl]triphenylene;2-(3-triphenylen-2-ylphenyl)triphenylene (PubChem CID 164977935) has the molecular formula C512H346 and a molecular weight of 6498.40 g/mol. Its IUPAC name is 7-tert-butyl-1-[7-(7-tert-butylpyren-1-yl)-9,9-dimethylfluoren-2-yl]pyrene;7-tert-butyl-1-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]pyrene;1-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]pyrene;1-(9,9-dimethyl-7-pyren-1-ylfluoren-2-yl)pyrene;9,10-diphenyl-2-(10-phenylanthracen-9-yl)anthracene;9-naphthalen-1-yl-10-naphthalen-2-ylanthracene;3-(6-naphthalen-2-ylnaphthalen-2-yl)chrysene;9-naphthalen-2-yl-10-(4-phenylphenyl)anthracene;9-phenyl-10-(10-phenylanthracen-9-yl)anthracene;2-(6-phenylpyren-1-yl)triphenylene;2-[3-(3-triphenylen-2-ylphenyl)phenyl]triphenylene;2-(3-triphenylen-2-ylphenyl)triphenylene.
| Compound Name | 7-tert-butyl-1-[7-(7-tert-butylpyren-1-yl)-9,9-dimethylfluoren-2-yl]pyrene;7-tert-butyl-1-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]pyrene;1-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]pyrene;1-(9,9-dimethyl-7-pyren-1-ylfluoren-2-yl)pyrene;9,10-diphenyl-2-(10-phenylanthracen-9-yl)anthracene;9-naphthalen-1-yl-10-naphthalen-2-ylanthracene;3-(6-naphthalen-2-ylnaphthalen-2-yl)chrysene;9-naphthalen-2-yl-10-(4-phenylphenyl)anthracene;9-phenyl-10-(10-phenylanthracen-9-yl)anthracene;2-(6-phenylpyren-1-yl)triphenylene;2-[3-(3-triphenylen-2-ylphenyl)phenyl]triphenylene;2-(3-triphenylen-2-ylphenyl)triphenylene |
|---|---|
| PubChem CID | 164977935 |
| Molecular Formula | C512H346 |
| Molecular Weight | 6498.40 g/mol |
| Exact Mass | 6492.71 |
| IUPAC Name | 7-tert-butyl-1-[7-(7-tert-butylpyren-1-yl)-9,9-dimethylfluoren-2-yl]pyrene;7-tert-butyl-1-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]pyrene;1-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]pyrene;1-(9,9-dimethyl-7-pyren-1-ylfluoren-2-yl)pyrene;9,10-diphenyl-2-(10-phenylanthracen-9-yl)anthracene;9-naphthalen-1-yl-10-naphthalen-2-ylanthracene;3-(6-naphthalen-2-ylnaphthalen-2-yl)chrysene;9-naphthalen-2-yl-10-(4-phenylphenyl)anthracene;9-phenyl-10-(10-phenylanthracen-9-yl)anthracene;2-(6-phenylpyren-1-yl)triphenylene;2-[3-(3-triphenylen-2-ylphenyl)phenyl]triphenylene;2-(3-triphenylen-2-ylphenyl)triphenylene |
| SMILES | CC(C)(C)c1cc2ccc3ccc(-c4ccc5c(c4)C(C)(C)c4cc(-c6ccc7ccc8cc(C(C)(C)C)cc9ccc6c7c89)ccc4-5)c4ccc(c1)c2c34.CC(C)(C)c1cc2ccc3ccc(-c4ccc5cc(-c6ccc7c(c6)C(C)(C)c6ccccc6-7)ccc5c4)c4ccc(c1)c2c34.CC1(C)c2cc(-c3ccc4ccc5cccc6ccc3c4c56)ccc2-c2ccc(-c3ccc4ccc5cccc6ccc3c4c56)cc21.CC1(C)c2ccccc2-c2ccc(-c3ccc4cc(-c5ccc6ccc7cccc8ccc5c6c78)ccc4c3)cc21.c1cc(-c2ccc3c4ccccc4c4ccccc4c3c2)cc(-c2ccc3c4ccccc4c4ccccc4c3c2)c1.c1cc(-c2cccc(-c3ccc4c5ccccc5c5ccccc5c4c3)c2)cc(-c2ccc3c4ccccc4c4ccccc4c3c2)c1.c1ccc(-c2c3ccccc3c(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)c3ccccc23)cc1.c1ccc(-c2c3ccccc3c(-c3ccc4c(-c5ccccc5)c5ccccc5c(-c5ccccc5)c4c3)c3ccccc23)cc1.c1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4ccccc34)cc2)cc1.c1ccc(-c2ccc3ccc4c(-c5ccc6c7ccccc7c7ccccc7c6c5)ccc5ccc2c3c54)cc1.c1ccc2cc(-c3c4ccccc4c(-c4cccc5ccccc45)c4ccccc34)ccc2c1.c1ccc2cc(-c3ccc4cc(-c5ccc6ccc7c8ccccc8ccc7c6c5)ccc4c3)ccc2c1 |
| InChI | InChI=1S/C55H46.C48H30.C47H30.C46H30.C45H36.C42H26.C41H28.C40H24.C40H26.C38H24.C36H24.C34H22/c1-53(2,3)39-25-35-11-9-31-13-19-41(45-23-17-37(27-39)49(35)51(31)45)33-15-21-43-44-22-16-34(30-48(44)55(7,8)47(43)29-33)42-20-14-32-10-12-36-26-40(54(4,5)6)28-38-18-24-46(42)52(32)50(36)38;1-3-19-41-37(15-1)39-17-5-7-21-43(39)47-29-35(23-25-45(41)47)33-13-9-11-31(27-33)32-12-10-14-34(28-32)36-24-26-46-42-20-4-2-16-38(42)40-18-6-8-22-44(40)48(46)30-36;1-47(2)41-25-33(35-19-13-31-11-9-27-5-3-7-29-15-23-39(35)45(31)43(27)29)17-21-37(41)38-22-18-34(26-42(38)47)36-20-14-32-12-10-28-6-4-8-30-16-24-40(36)46(32)44(28)30;1-4-16-31(17-5-1)43-36-23-11-14-26-39(36)46(40-27-15-12-24-37(40)43)34-28-29-41-42(30-34)45(33-20-8-3-9-21-33)38-25-13-10-22-35(38)44(41)32-18-6-2-7-19-32;1-44(2,3)35-24-33-15-10-27-16-19-36(39-21-18-34(25-35)42(33)43(27)39)32-14-13-28-22-29(11-12-30(28)23-32)31-17-20-38-37-8-6-7-9-40(37)45(4,5)41(38)26-31;1-3-16-35-31(12-1)33-14-5-7-18-37(33)41-25-29(20-22-39(35)41)27-10-9-11-28(24-27)30-21-23-40-36-17-4-2-13-32(36)34-15-6-8-19-38(34)42(40)26-30;1-41(2)37-9-4-3-8-34(37)35-20-18-31(24-38(35)41)29-12-13-30-23-32(15-14-28(30)22-29)33-19-16-27-11-10-25-6-5-7-26-17-21-36(33)40(27)39(25)26;1-2-8-25(9-3-1)29-19-14-26-17-23-37-30(20-15-27-16-22-36(29)39(26)40(27)37)28-18-21-35-33-12-5-4-10-31(33)32-11-6-7-13-34(32)38(35)24-28;1-3-15-27(16-4-1)37-29-19-7-11-23-33(29)39(34-24-12-8-20-30(34)37)40-35-25-13-9-21-31(35)38(28-17-5-2-6-18-28)32-22-10-14-26-36(32)40;1-2-7-28-21-29(11-9-25(28)5-1)30-13-14-32-23-33(16-15-31(32)22-30)34-12-10-27-18-19-36-35-8-4-3-6-26(35)17-20-37(36)38(27)24-34;1-2-10-25(11-3-1)27-18-21-28(22-19-27)35-31-14-6-8-16-33(31)36(34-17-9-7-15-32(34)35)30-23-20-26-12-4-5-13-29(26)24-30;1-2-12-25-22-26(21-20-23(25)10-1)33-29-15-5-7-17-31(29)34(32-18-8-6-16-30(32)33)28-19-9-13-24-11-3-4-14-27(24)28/h9-30H,1-8H3;1-30H;3-26H,1-2H3;1-30H;6-26H,1-5H3;1-26H;3-24H,1-2H3;1-24H;1-26H;1-24H;1-24H;1-22H |
| InChIKey | FBDRYCBZHXQHDB-UHFFFAOYSA-N |
| XLogP | 144.65 |
| TPSA | 0.00 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | |
| Rotatable Bonds | 29 |
| Heavy Atoms | 512 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 6498.40 |
| LogP ≤ 5 | 144.65 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |