C380H234N18S16 — CID 157289005
10-[9,10-bis(9,9-dimethylfluoren-1-yl)-6-phenothiazin-10-ylanthracen-2-yl]phenothiazine;10-[9,10-bis(1,10-phenanthrolin-2-yl)-6-phenothiazin-10-ylanthracen-2-yl]phenothiazine;10-[9,10-di(dibenzothiophen-2-yl)-6-phenothiazin-10-ylanthracen-2-yl]phenothiazine;10-[9,10-di(dibenzothiophen-4-yl)-6-phenothiazin-10-ylanthracen-2-yl]phenothiazine;10-[9,10-di(isoquinolin-1-yl)-6-phenothiazin-10-ylanthracen-2-yl]phenothiazine;10-[6-phenothiazin-10-yl-9,10-bis(3-phenylnaphthalen-2-yl)anthracen-2-yl]phenothiazine (PubChem CID 157289005) has the molecular formula C380H234N18S16 and a molecular weight of 5565.25 g/mol. Its IUPAC name is 10-[9,10-bis(9,9-dimethylfluoren-1-yl)-6-phenothiazin-10-ylanthracen-2-yl]phenothiazine;10-[9,10-bis(1,10-phenanthrolin-2-yl)-6-phenothiazin-10-ylanthracen-2-yl]phenothiazine;10-[9,10-di(dibenzothiophen-2-yl)-6-phenothiazin-10-ylanthracen-2-yl]phenothiazine;10-[9,10-di(dibenzothiophen-4-yl)-6-phenothiazin-10-ylanthracen-2-yl]phenothiazine;10-[9,10-di(isoquinolin-1-yl)-6-phenothiazin-10-ylanthracen-2-yl]phenothiazine;10-[6-phenothiazin-10-yl-9,10-bis(3-phenylnaphthalen-2-yl)anthracen-2-yl]phenothiazine.
| Compound Name | 10-[9,10-bis(9,9-dimethylfluoren-1-yl)-6-phenothiazin-10-ylanthracen-2-yl]phenothiazine;10-[9,10-bis(1,10-phenanthrolin-2-yl)-6-phenothiazin-10-ylanthracen-2-yl]phenothiazine;10-[9,10-di(dibenzothiophen-2-yl)-6-phenothiazin-10-ylanthracen-2-yl]phenothiazine;10-[9,10-di(dibenzothiophen-4-yl)-6-phenothiazin-10-ylanthracen-2-yl]phenothiazine;10-[9,10-di(isoquinolin-1-yl)-6-phenothiazin-10-ylanthracen-2-yl]phenothiazine;10-[6-phenothiazin-10-yl-9,10-bis(3-phenylnaphthalen-2-yl)anthracen-2-yl]phenothiazine |
|---|---|
| PubChem CID | 157289005 |
| Molecular Formula | C380H234N18S16 |
| Molecular Weight | 5565.25 g/mol |
| Exact Mass | 5559.44 |
| IUPAC Name | 10-[9,10-bis(9,9-dimethylfluoren-1-yl)-6-phenothiazin-10-ylanthracen-2-yl]phenothiazine;10-[9,10-bis(1,10-phenanthrolin-2-yl)-6-phenothiazin-10-ylanthracen-2-yl]phenothiazine;10-[9,10-di(dibenzothiophen-2-yl)-6-phenothiazin-10-ylanthracen-2-yl]phenothiazine;10-[9,10-di(dibenzothiophen-4-yl)-6-phenothiazin-10-ylanthracen-2-yl]phenothiazine;10-[9,10-di(isoquinolin-1-yl)-6-phenothiazin-10-ylanthracen-2-yl]phenothiazine;10-[6-phenothiazin-10-yl-9,10-bis(3-phenylnaphthalen-2-yl)anthracen-2-yl]phenothiazine |
| SMILES | CC1(C)c2ccccc2-c2cccc(-c3c4ccc(N5c6ccccc6Sc6ccccc65)cc4c(-c4cccc5c4C(C)(C)c4ccccc4-5)c4ccc(N5c6ccccc6Sc6ccccc65)cc34)c21.c1ccc(-c2cc3ccccc3cc2-c2c3ccc(N4c5ccccc5Sc5ccccc54)cc3c(-c3cc4ccccc4cc3-c3ccccc3)c3ccc(N4c5ccccc5Sc5ccccc54)cc23)cc1.c1ccc2c(c1)Sc1ccccc1N2c1ccc2c(-c3ccc4ccc5cccnc5c4n3)c3cc(N4c5ccccc5Sc5ccccc54)ccc3c(-c3ccc4ccc5cccnc5c4n3)c2c1.c1ccc2c(c1)Sc1ccccc1N2c1ccc2c(-c3ccc4sc5ccccc5c4c3)c3cc(N4c5ccccc5Sc5ccccc54)ccc3c(-c3ccc4sc5ccccc5c4c3)c2c1.c1ccc2c(c1)Sc1ccccc1N2c1ccc2c(-c3cccc4c3sc3ccccc34)c3cc(N4c5ccccc5Sc5ccccc54)ccc3c(-c3cccc4c3sc3ccccc34)c2c1.c1ccc2c(c1)Sc1ccccc1N2c1ccc2c(-c3nccc4ccccc34)c3cc(N4c5ccccc5Sc5ccccc54)ccc3c(-c3nccc4ccccc34)c2c1 |
| InChI | InChI=1S/C70H44N2S2.C68H48N2S2.C62H36N6S2.2C62H36N2S4.C56H34N4S2/c1-3-19-45(20-4-1)55-39-47-23-7-9-25-49(47)41-57(55)69-53-37-35-52(72-63-29-13-17-33-67(63)74-68-34-18-14-30-64(68)72)44-60(53)70(58-42-50-26-10-8-24-48(50)40-56(58)46-21-5-2-6-22-46)54-38-36-51(43-59(54)69)71-61-27-11-15-31-65(61)73-66-32-16-12-28-62(66)71;1-67(2)53-25-7-5-19-43(53)47-21-17-23-49(65(47)67)63-45-37-35-42(70-57-29-11-15-33-61(57)72-62-34-16-12-30-58(62)70)40-52(45)64(50-24-18-22-48-44-20-6-8-26-54(44)68(3,4)66(48)50)46-38-36-41(39-51(46)63)69-55-27-9-13-31-59(55)71-60-32-14-10-28-56(60)69;1-5-17-53-49(13-1)67(50-14-2-6-18-54(50)69-53)41-27-29-43-45(35-41)57(47-31-25-39-23-21-37-11-9-33-63-59(37)61(39)65-47)44-30-28-42(68-51-15-3-7-19-55(51)70-56-20-8-4-16-52(56)68)36-46(44)58(43)48-32-26-40-24-22-38-12-10-34-64-60(38)62(40)66-48;1-7-25-53-39(15-1)43-17-13-19-45(61(43)67-53)59-41-33-31-38(64-51-23-5-11-29-57(51)66-58-30-12-6-24-52(58)64)36-48(41)60(46-20-14-18-44-40-16-2-8-26-54(40)68-62(44)46)42-34-32-37(35-47(42)59)63-49-21-3-9-27-55(49)65-56-28-10-4-22-50(56)63;1-7-19-53-41(13-1)45-33-37(25-31-55(45)65-53)61-43-29-27-40(64-51-17-5-11-23-59(51)68-60-24-12-6-18-52(60)64)36-48(43)62(38-26-32-56-46(34-38)42-14-2-8-20-54(42)66-56)44-30-28-39(35-47(44)61)63-49-15-3-9-21-57(49)67-58-22-10-4-16-50(58)63;1-3-15-39-35(13-1)29-31-57-55(39)53-41-27-25-38(60-47-19-7-11-23-51(47)62-52-24-12-8-20-48(52)60)34-44(41)54(56-40-16-4-2-14-36(40)30-32-58-56)42-28-26-37(33-43(42)53)59-45-17-5-9-21-49(45)61-50-22-10-6-18-46(50)59/h1-44H;5-40H,1-4H3;1-36H;2*1-36H;1-34H |
| InChIKey | BAOPLAOHPNGRTR-UHFFFAOYSA-N |
| XLogP | 114.19 |
| TPSA | 116.22 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 34 |
| Rotatable Bonds | 26 |
| Heavy Atoms | 414 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 5565.25 |
| LogP ≤ 5 | 114.19 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 34 |