C366H222 — CID 159994110
1-(3-naphthalen-2-ylphenyl)-6-[3-[3-[3-(6-phenylpyren-1-yl)phenyl]phenyl]phenyl]pyrene;1-(3-naphthalen-2-ylphenyl)-6-[3-[3-(3-pyren-1-ylphenyl)phenyl]phenyl]pyrene;1-(4-naphthalen-1-ylphenyl)-6-[4-[3-(4-pyren-1-ylphenyl)phenyl]phenyl]pyrene;1-[3-[2-[2-(3-pyren-1-ylphenyl)phenyl]phenyl]phenyl]pyrene;1-[4-[2-[2-(4-pyren-1-ylphenyl)phenyl]phenyl]phenyl]pyrene;1-[3-[3-(3-pyren-1-ylphenyl)phenyl]phenyl]pyrene (PubChem CID 159994110) has the molecular formula C366H222 and a molecular weight of 4619.80 g/mol. Its IUPAC name is 1-(3-naphthalen-2-ylphenyl)-6-[3-[3-[3-(6-phenylpyren-1-yl)phenyl]phenyl]phenyl]pyrene;1-(3-naphthalen-2-ylphenyl)-6-[3-[3-(3-pyren-1-ylphenyl)phenyl]phenyl]pyrene;1-(4-naphthalen-1-ylphenyl)-6-[4-[3-(4-pyren-1-ylphenyl)phenyl]phenyl]pyrene;1-[3-[2-[2-(3-pyren-1-ylphenyl)phenyl]phenyl]phenyl]pyrene;1-[4-[2-[2-(4-pyren-1-ylphenyl)phenyl]phenyl]phenyl]pyrene;1-[3-[3-(3-pyren-1-ylphenyl)phenyl]phenyl]pyrene.
| Compound Name | 1-(3-naphthalen-2-ylphenyl)-6-[3-[3-[3-(6-phenylpyren-1-yl)phenyl]phenyl]phenyl]pyrene;1-(3-naphthalen-2-ylphenyl)-6-[3-[3-(3-pyren-1-ylphenyl)phenyl]phenyl]pyrene;1-(4-naphthalen-1-ylphenyl)-6-[4-[3-(4-pyren-1-ylphenyl)phenyl]phenyl]pyrene;1-[3-[2-[2-(3-pyren-1-ylphenyl)phenyl]phenyl]phenyl]pyrene;1-[4-[2-[2-(4-pyren-1-ylphenyl)phenyl]phenyl]phenyl]pyrene;1-[3-[3-(3-pyren-1-ylphenyl)phenyl]phenyl]pyrene |
|---|---|
| PubChem CID | 159994110 |
| Molecular Formula | C366H222 |
| Molecular Weight | 4619.80 g/mol |
| Exact Mass | 4615.74 |
| IUPAC Name | 1-(3-naphthalen-2-ylphenyl)-6-[3-[3-[3-(6-phenylpyren-1-yl)phenyl]phenyl]phenyl]pyrene;1-(3-naphthalen-2-ylphenyl)-6-[3-[3-(3-pyren-1-ylphenyl)phenyl]phenyl]pyrene;1-(4-naphthalen-1-ylphenyl)-6-[4-[3-(4-pyren-1-ylphenyl)phenyl]phenyl]pyrene;1-[3-[2-[2-(3-pyren-1-ylphenyl)phenyl]phenyl]phenyl]pyrene;1-[4-[2-[2-(4-pyren-1-ylphenyl)phenyl]phenyl]phenyl]pyrene;1-[3-[3-(3-pyren-1-ylphenyl)phenyl]phenyl]pyrene |
| SMILES | c1cc(-c2ccc(-c3ccc4ccc5cccc6ccc3c4c56)cc2)cc(-c2ccc(-c3ccc4ccc5c(-c6ccc(-c7cccc8ccccc78)cc6)ccc6ccc3c4c65)cc2)c1.c1cc(-c2cccc(-c3ccc4ccc5cccc6ccc3c4c56)c2)cc(-c2cccc(-c3ccc4ccc5c(-c6cccc(-c7ccc8ccccc8c7)c6)ccc6ccc3c4c65)c2)c1.c1cc(-c2cccc(-c3ccc4ccc5cccc6ccc3c4c56)c2)cc(-c2cccc(-c3ccc4ccc5cccc6ccc3c4c56)c2)c1.c1cc(-c2ccccc2-c2ccccc2-c2cccc(-c3ccc4ccc5cccc6ccc3c4c56)c2)cc(-c2ccc3ccc4cccc5ccc2c3c45)c1.c1ccc(-c2ccc3ccc4c(-c5cccc(-c6cccc(-c7cccc(-c8ccc9ccc%10c(-c%11cccc(-c%12ccc%13ccccc%13c%12)c%11)ccc%11ccc8c9c%11%10)c7)c6)c5)ccc5ccc2c3c54)cc1.c1ccc(-c2ccccc2-c2ccc(-c3ccc4ccc5cccc6ccc3c4c56)cc2)c(-c2ccc(-c3ccc4ccc5cccc6ccc3c4c56)cc2)c1 |
| InChI | InChI=1S/C72H44.2C66H40.2C56H34.C50H30/c1-2-11-46(12-3-1)61-32-24-47-29-37-66-62(33-25-48-28-36-65(61)69(47)70(48)66)58-19-7-16-54(42-58)52-14-6-15-53(41-52)55-17-8-20-59(43-55)63-34-26-49-31-39-68-64(35-27-50-30-38-67(63)71(49)72(50)68)60-21-9-18-56(44-60)57-23-22-45-10-4-5-13-51(45)40-57;1-2-9-47-36-53(23-20-41(47)8-1)52-16-7-19-56(40-52)59-32-26-46-28-34-61-58(31-25-45-29-35-62(59)66(46)65(45)61)55-18-6-15-51(39-55)49-13-4-12-48(37-49)50-14-5-17-54(38-50)57-30-24-44-22-21-42-10-3-11-43-27-33-60(57)64(44)63(42)43;1-2-12-55-43(6-1)7-5-13-56(55)44-22-24-47(25-23-44)59-36-30-52-32-38-61-58(35-29-51-33-39-62(59)66(52)65(51)61)46-20-16-42(17-21-46)54-11-4-10-53(40-54)41-14-18-45(19-15-41)57-34-28-50-27-26-48-8-3-9-49-31-37-60(57)64(50)63(48)49;1-3-19-49(45(17-1)41-13-7-15-43(33-41)47-29-25-39-23-21-35-9-5-11-37-27-31-51(47)55(39)53(35)37)50-20-4-2-18-46(50)42-14-8-16-44(34-42)48-30-26-40-24-22-36-10-6-12-38-28-32-52(48)56(40)54(36)38;1-3-13-49(45(11-1)35-15-19-37(20-16-35)47-31-27-43-25-23-39-7-5-9-41-29-33-51(47)55(43)53(39)41)50-14-4-2-12-46(50)36-17-21-38(22-18-36)48-32-28-44-26-24-40-8-6-10-42-30-34-52(48)56(44)54(40)42;1-6-31-16-18-35-20-24-43(45-26-22-33(8-1)47(31)49(35)45)41-14-4-12-39(29-41)37-10-3-11-38(28-37)40-13-5-15-42(30-40)44-25-21-36-19-17-32-7-2-9-34-23-27-46(44)50(36)48(32)34/h1-44H;2*1-40H;2*1-34H;1-30H |
| InChIKey | OHIBPYORHRDCGN-UHFFFAOYSA-N |
| XLogP | 103.36 |
| TPSA | 0.00 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | |
| Rotatable Bonds | 33 |
| Heavy Atoms | 366 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4619.80 |
| LogP ≤ 5 | 103.36 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |