C323H210 — CID 158804979
1-[4-(1,2-dihydroacenaphthylen-5-yl)phenyl]-6-(9,9-dimethylfluoren-2-yl)pyrene;1-(9,9-dimethylfluoren-2-yl)-6-(4-naphthalen-1-ylphenyl)pyrene;1-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)pyrene;1-naphthalen-2-yl-6-phenanthren-9-ylpyrene;1-(4-naphthalen-1-ylphenyl)-6-(4-phenanthren-9-ylphenyl)pyrene;1-(4-naphthalen-1-ylphenyl)-8-[2-(4-phenylphenyl)phenyl]pyrene;1-(4-naphthalen-1-ylphenyl)-6-(3-phenylphenyl)pyrene (PubChem CID 158804979) has the molecular formula C323H210 and a molecular weight of 4091.23 g/mol. Its IUPAC name is 1-[4-(1,2-dihydroacenaphthylen-5-yl)phenyl]-6-(9,9-dimethylfluoren-2-yl)pyrene;1-(9,9-dimethylfluoren-2-yl)-6-(4-naphthalen-1-ylphenyl)pyrene;1-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)pyrene;1-naphthalen-2-yl-6-phenanthren-9-ylpyrene;1-(4-naphthalen-1-ylphenyl)-6-(4-phenanthren-9-ylphenyl)pyrene;1-(4-naphthalen-1-ylphenyl)-8-[2-(4-phenylphenyl)phenyl]pyrene;1-(4-naphthalen-1-ylphenyl)-6-(3-phenylphenyl)pyrene.
| Compound Name | 1-[4-(1,2-dihydroacenaphthylen-5-yl)phenyl]-6-(9,9-dimethylfluoren-2-yl)pyrene;1-(9,9-dimethylfluoren-2-yl)-6-(4-naphthalen-1-ylphenyl)pyrene;1-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)pyrene;1-naphthalen-2-yl-6-phenanthren-9-ylpyrene;1-(4-naphthalen-1-ylphenyl)-6-(4-phenanthren-9-ylphenyl)pyrene;1-(4-naphthalen-1-ylphenyl)-8-[2-(4-phenylphenyl)phenyl]pyrene;1-(4-naphthalen-1-ylphenyl)-6-(3-phenylphenyl)pyrene |
|---|---|
| PubChem CID | 158804979 |
| Molecular Formula | C323H210 |
| Molecular Weight | 4091.23 g/mol |
| Exact Mass | 4087.64 |
| IUPAC Name | 1-[4-(1,2-dihydroacenaphthylen-5-yl)phenyl]-6-(9,9-dimethylfluoren-2-yl)pyrene;1-(9,9-dimethylfluoren-2-yl)-6-(4-naphthalen-1-ylphenyl)pyrene;1-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)pyrene;1-naphthalen-2-yl-6-phenanthren-9-ylpyrene;1-(4-naphthalen-1-ylphenyl)-6-(4-phenanthren-9-ylphenyl)pyrene;1-(4-naphthalen-1-ylphenyl)-8-[2-(4-phenylphenyl)phenyl]pyrene;1-(4-naphthalen-1-ylphenyl)-6-(3-phenylphenyl)pyrene |
| SMILES | CC1(C)c2cc(-c3cccc4ccccc34)ccc2-c2ccc(-c3ccc4ccc5cccc6ccc3c4c56)cc21.CC1(C)c2ccccc2-c2ccc(-c3ccc4ccc5c(-c6ccc(-c7ccc8c9c(cccc79)CC8)cc6)ccc6ccc3c4c65)cc21.CC1(C)c2ccccc2-c2ccc(-c3ccc4ccc5c(-c6ccc(-c7cccc8ccccc78)cc6)ccc6ccc3c4c65)cc21.c1ccc(-c2ccc(-c3ccccc3-c3ccc4ccc5ccc(-c6ccc(-c7cccc8ccccc78)cc6)c6ccc3c4c56)cc2)cc1.c1ccc(-c2cccc(-c3ccc4ccc5c(-c6ccc(-c7cccc8ccccc78)cc6)ccc6ccc3c4c65)c2)cc1.c1ccc2c(-c3ccc(-c4ccc5ccc6c(-c7ccc(-c8cc9ccccc9c9ccccc89)cc7)ccc7ccc4c5c76)cc3)cccc2c1.c1ccc2cc(-c3ccc4ccc5c(-c6cc7ccccc7c7ccccc67)ccc6ccc3c4c65)ccc2c1 |
| InChI | InChI=1S/C52H32.C50H32.C49H34.C47H32.C44H28.C41H28.C40H24/c1-3-11-41-33(8-1)10-7-15-42(41)34-16-18-35(19-17-34)44-28-24-38-27-31-49-45(29-25-39-26-30-48(44)51(38)52(39)49)36-20-22-37(23-21-36)50-32-40-9-2-4-12-43(40)46-13-5-6-14-47(46)50;1-2-9-33(10-3-1)34-17-19-37(20-18-34)43-14-6-7-15-45(43)46-30-28-40-26-25-39-27-29-44(47-31-32-48(46)50(40)49(39)47)38-23-21-36(22-24-38)42-16-8-12-35-11-4-5-13-41(35)42;1-49(2)44-9-4-3-7-39(44)40-25-21-35(28-45(40)49)38-24-18-34-19-26-42-37(23-17-33-20-27-43(38)48(34)47(33)42)30-12-10-29(11-13-30)36-22-16-32-15-14-31-6-5-8-41(36)46(31)32;1-47(2)43-13-6-5-11-39(43)40-25-22-34(28-44(40)47)38-24-19-33-20-26-41-37(23-18-32-21-27-42(38)46(33)45(32)41)31-16-14-30(15-17-31)36-12-7-9-29-8-3-4-10-35(29)36;1-2-8-29(9-3-1)35-12-6-13-36(28-35)40-25-21-34-22-26-41-39(24-20-33-23-27-42(40)44(34)43(33)41)32-18-16-31(17-19-32)38-15-7-11-30-10-4-5-14-37(30)38;1-41(2)37-23-29(32-12-6-8-25-7-3-4-11-31(25)32)17-20-34(37)35-21-18-30(24-38(35)41)33-19-15-28-14-13-26-9-5-10-27-16-22-36(33)40(28)39(26)27;1-2-8-28-23-30(14-13-25(28)7-1)32-19-15-26-18-22-37-35(20-16-27-17-21-36(32)39(26)40(27)37)38-24-29-9-3-4-10-31(29)33-11-5-6-12-34(33)38/h1-32H;1-32H;3-13,16-28H,14-15H2,1-2H3;3-28H,1-2H3;1-28H;3-24H,1-2H3;1-24H |
| InChIKey | ITYPNTUMQVYLTA-UHFFFAOYSA-N |
| XLogP | 90.13 |
| TPSA | 0.00 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | |
| Rotatable Bonds | 23 |
| Heavy Atoms | 323 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4091.23 |
| LogP ≤ 5 | 90.13 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |