C406H248 — CID 158441814
1-[3-(9,9-dimethyl-7-pyren-1-ylfluoren-2-yl)phenyl]pyrene;1-[4-(9,9-dimethyl-7-pyren-1-ylfluoren-2-yl)phenyl]pyrene;1-[3-[3-phenyl-5-(3-pyren-1-ylphenyl)phenyl]phenyl]pyrene;1-[4-[3-phenyl-5-(4-pyren-1-ylphenyl)phenyl]phenyl]pyrene;1-[3-phenyl-5-(4-pyren-1-ylphenyl)phenyl]pyrene;1-[3-[4-(3-pyren-1-ylphenyl)phenyl]phenyl]pyrene;1-[3-[4-(4-pyren-1-ylphenyl)phenyl]phenyl]pyrene;1-(3-pyren-1-ylphenyl)pyrene (PubChem CID 158441814) has the molecular formula C406H248 and a molecular weight of 5126.45 g/mol. Its IUPAC name is 1-[3-(9,9-dimethyl-7-pyren-1-ylfluoren-2-yl)phenyl]pyrene;1-[4-(9,9-dimethyl-7-pyren-1-ylfluoren-2-yl)phenyl]pyrene;1-[3-[3-phenyl-5-(3-pyren-1-ylphenyl)phenyl]phenyl]pyrene;1-[4-[3-phenyl-5-(4-pyren-1-ylphenyl)phenyl]phenyl]pyrene;1-[3-phenyl-5-(4-pyren-1-ylphenyl)phenyl]pyrene;1-[3-[4-(3-pyren-1-ylphenyl)phenyl]phenyl]pyrene;1-[3-[4-(4-pyren-1-ylphenyl)phenyl]phenyl]pyrene;1-(3-pyren-1-ylphenyl)pyrene.
| Compound Name | 1-[3-(9,9-dimethyl-7-pyren-1-ylfluoren-2-yl)phenyl]pyrene;1-[4-(9,9-dimethyl-7-pyren-1-ylfluoren-2-yl)phenyl]pyrene;1-[3-[3-phenyl-5-(3-pyren-1-ylphenyl)phenyl]phenyl]pyrene;1-[4-[3-phenyl-5-(4-pyren-1-ylphenyl)phenyl]phenyl]pyrene;1-[3-phenyl-5-(4-pyren-1-ylphenyl)phenyl]pyrene;1-[3-[4-(3-pyren-1-ylphenyl)phenyl]phenyl]pyrene;1-[3-[4-(4-pyren-1-ylphenyl)phenyl]phenyl]pyrene;1-(3-pyren-1-ylphenyl)pyrene |
|---|---|
| PubChem CID | 158441814 |
| Molecular Formula | C406H248 |
| Molecular Weight | 5126.45 g/mol |
| Exact Mass | 5121.94 |
| IUPAC Name | 1-[3-(9,9-dimethyl-7-pyren-1-ylfluoren-2-yl)phenyl]pyrene;1-[4-(9,9-dimethyl-7-pyren-1-ylfluoren-2-yl)phenyl]pyrene;1-[3-[3-phenyl-5-(3-pyren-1-ylphenyl)phenyl]phenyl]pyrene;1-[4-[3-phenyl-5-(4-pyren-1-ylphenyl)phenyl]phenyl]pyrene;1-[3-phenyl-5-(4-pyren-1-ylphenyl)phenyl]pyrene;1-[3-[4-(3-pyren-1-ylphenyl)phenyl]phenyl]pyrene;1-[3-[4-(4-pyren-1-ylphenyl)phenyl]phenyl]pyrene;1-(3-pyren-1-ylphenyl)pyrene |
| SMILES | CC1(C)c2cc(-c3ccc(-c4ccc5ccc6cccc7ccc4c5c67)cc3)ccc2-c2ccc(-c3ccc4ccc5cccc6ccc3c4c56)cc21.CC1(C)c2cc(-c3cccc(-c4ccc5ccc6cccc7ccc4c5c67)c3)ccc2-c2ccc(-c3ccc4ccc5cccc6ccc3c4c56)cc21.c1cc(-c2ccc(-c3ccc(-c4ccc5ccc6cccc7ccc4c5c67)cc3)cc2)cc(-c2ccc3ccc4cccc5ccc2c3c45)c1.c1cc(-c2ccc(-c3cccc(-c4ccc5ccc6cccc7ccc4c5c67)c3)cc2)cc(-c2ccc3ccc4cccc5ccc2c3c45)c1.c1cc(-c2ccc3ccc4cccc5ccc2c3c45)cc(-c2ccc3ccc4cccc5ccc2c3c45)c1.c1ccc(-c2cc(-c3ccc(-c4ccc5ccc6cccc7ccc4c5c67)cc3)cc(-c3ccc(-c4ccc5ccc6cccc7ccc4c5c67)cc3)c2)cc1.c1ccc(-c2cc(-c3ccc(-c4ccc5ccc6cccc7ccc4c5c67)cc3)cc(-c3ccc4ccc5cccc6ccc3c4c56)c2)cc1.c1ccc(-c2cc(-c3cccc(-c4ccc5ccc6cccc7ccc4c5c67)c3)cc(-c3cccc(-c4ccc5ccc6cccc7ccc4c5c67)c3)c2)cc1 |
| InChI | InChI=1S/2C56H34.2C53H34.3C50H30.C38H22/c1-2-8-35(9-3-1)46-32-47(42-14-6-16-44(30-42)49-26-22-40-20-18-36-10-4-12-38-24-28-51(49)55(40)53(36)38)34-48(33-46)43-15-7-17-45(31-43)50-27-23-41-21-19-37-11-5-13-39-25-29-52(50)56(41)54(37)39;1-2-6-35(7-3-1)46-32-47(36-12-16-38(17-13-36)49-28-24-44-22-20-40-8-4-10-42-26-30-51(49)55(44)53(40)42)34-48(33-46)37-14-18-39(19-15-37)50-29-25-45-23-21-41-9-5-11-43-27-31-52(50)56(45)54(41)43;1-53(2)47-29-38(37-10-5-11-39(28-37)41-22-16-35-14-12-31-6-3-8-33-18-26-45(41)51(35)49(31)33)20-24-43(47)44-25-21-40(30-48(44)53)42-23-17-36-15-13-32-7-4-9-34-19-27-46(42)52(36)50(32)34;1-53(2)47-29-39(31-9-11-32(12-10-31)41-23-17-37-15-13-33-5-3-7-35-19-27-45(41)51(37)49(33)35)21-25-43(47)44-26-22-40(30-48(44)53)42-24-18-38-16-14-34-6-4-8-36-20-28-46(42)52(38)50(34)36;1-5-33-17-19-37-21-25-43(45-27-23-35(7-1)47(33)49(37)45)41-11-3-9-39(29-41)31-13-15-32(16-14-31)40-10-4-12-42(30-40)44-26-22-38-20-18-34-6-2-8-36-24-28-46(44)50(38)48(34)36;1-4-35-18-20-39-22-26-43(45-28-24-37(6-1)47(35)49(39)45)34-16-14-32(15-17-34)31-10-12-33(13-11-31)41-8-3-9-42(30-41)44-27-23-40-21-19-36-5-2-7-38-25-29-46(44)50(40)48(36)38;1-2-6-31(7-3-1)40-28-41(30-42(29-40)44-25-21-39-19-17-35-9-5-11-37-23-27-46(44)50(39)48(35)37)32-12-14-33(15-13-32)43-24-20-38-18-16-34-8-4-10-36-22-26-45(43)49(38)47(34)36;1-4-23-10-12-27-14-18-31(33-20-16-25(6-1)35(23)37(27)33)29-8-3-9-30(22-29)32-19-15-28-13-11-24-5-2-7-26-17-21-34(32)38(28)36(24)26/h2*1-34H;2*3-30H,1-2H3;3*1-30H;1-22H |
| InChIKey | HCXIQJJYHMEKMA-UHFFFAOYSA-N |
| XLogP | 114.47 |
| TPSA | 0.00 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | |
| Rotatable Bonds | 30 |
| Heavy Atoms | 406 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 5126.45 |
| LogP ≤ 5 | 114.47 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |