C348H318O4 — CID 160731548
9,10-bis[4-[(Z)-1,2-bis(9,9-dibutylfluoren-2-yl)ethenyl]phenyl]anthracene;9,10-bis[4-[(Z)-1-[9,9-bis(4-methoxyphenyl)fluoren-2-yl]-2-(9,9-dibutylfluoren-2-yl)ethenyl]phenyl]anthracene;2',7'-ditert-butyl-2-[(Z)-1-[4-[10-[4-[(Z)-1-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-2-yl)-2-phenylethenyl]phenyl]anthracen-9-yl]phenyl]-2-phenylethenyl]-9,9'-spirobi[fluorene] (PubChem CID 160731548) has the molecular formula C348H318O4 and a molecular weight of 4564.37 g/mol. Its IUPAC name is 9,10-bis[4-[(Z)-1,2-bis(9,9-dibutylfluoren-2-yl)ethenyl]phenyl]anthracene;9,10-bis[4-[(Z)-1-[9,9-bis(4-methoxyphenyl)fluoren-2-yl]-2-(9,9-dibutylfluoren-2-yl)ethenyl]phenyl]anthracene;2',7'-ditert-butyl-2-[(Z)-1-[4-[10-[4-[(Z)-1-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-2-yl)-2-phenylethenyl]phenyl]anthracen-9-yl]phenyl]-2-phenylethenyl]-9,9'-spirobi[fluorene].
| Compound Name | 9,10-bis[4-[(Z)-1,2-bis(9,9-dibutylfluoren-2-yl)ethenyl]phenyl]anthracene;9,10-bis[4-[(Z)-1-[9,9-bis(4-methoxyphenyl)fluoren-2-yl]-2-(9,9-dibutylfluoren-2-yl)ethenyl]phenyl]anthracene;2',7'-ditert-butyl-2-[(Z)-1-[4-[10-[4-[(Z)-1-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-2-yl)-2-phenylethenyl]phenyl]anthracen-9-yl]phenyl]-2-phenylethenyl]-9,9'-spirobi[fluorene] |
|---|---|
| PubChem CID | 160731548 |
| Molecular Formula | C348H318O4 |
| Molecular Weight | 4564.37 g/mol |
| Exact Mass | 4560.47 |
| IUPAC Name | 9,10-bis[4-[(Z)-1,2-bis(9,9-dibutylfluoren-2-yl)ethenyl]phenyl]anthracene;9,10-bis[4-[(Z)-1-[9,9-bis(4-methoxyphenyl)fluoren-2-yl]-2-(9,9-dibutylfluoren-2-yl)ethenyl]phenyl]anthracene;2',7'-ditert-butyl-2-[(Z)-1-[4-[10-[4-[(Z)-1-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-2-yl)-2-phenylethenyl]phenyl]anthracen-9-yl]phenyl]-2-phenylethenyl]-9,9'-spirobi[fluorene] |
| SMILES | CC(C)(C)c1ccc2c(c1)C1(c3ccccc3-c3ccc(/C(=C\c4ccccc4)c4ccc(-c5c6ccccc6c(-c6ccc(/C(=C/c7ccccc7)c7ccc8c(c7)C7(c9ccccc9-8)c8cc(C(C)(C)C)ccc8-c8ccc(C(C)(C)C)cc87)cc6)c6ccccc56)cc4)cc31)c1cc(C(C)(C)C)ccc1-2.CCCCC1(CCCC)c2ccccc2-c2ccc(/C=C(/c3ccc(-c4c5ccccc5c(-c5ccc(/C(=C/c6ccc7c(c6)C(CCCC)(CCCC)c6ccccc6-7)c6ccc7c(c6)C(CCCC)(CCCC)c6ccccc6-7)cc5)c5ccccc45)cc3)c3ccc4c(c3)C(CCCC)(CCCC)c3ccccc3-4)cc21.CCCCC1(CCCC)c2ccccc2-c2ccc(/C=C(/c3ccc(-c4c5ccccc5c(-c5ccc(/C(=C/c6ccc7c(c6)C(CCCC)(CCCC)c6ccccc6-7)c6ccc7c(c6)C(c6ccc(OC)cc6)(c6ccc(OC)cc6)c6ccccc6-7)cc5)c5ccccc45)cc3)c3ccc4c(c3)C(c3ccc(OC)cc3)(c3ccc(OC)cc3)c3ccccc3-4)cc21 |
| InChI | InChI=1S/C126H110O4.C114H118.C108H90/c1-9-13-73-123(74-14-10-2)113-37-25-21-29-99(113)103-69-41-83(79-117(103)123)77-111(89-51-71-105-101-31-23-27-39-115(101)125(119(105)81-89,91-53-61-95(127-5)62-54-91)92-55-63-96(128-6)64-56-92)85-43-47-87(48-44-85)121-107-33-17-19-35-109(107)122(110-36-20-18-34-108(110)121)88-49-45-86(46-50-88)112(78-84-42-70-104-100-30-22-26-38-114(100)124(75-15-11-3,76-16-12-4)118(104)80-84)90-52-72-106-102-32-24-28-40-116(102)126(120(106)82-90,93-57-65-97(129-7)66-58-93)94-59-67-98(130-8)68-60-94;1-9-17-65-111(66-18-10-2)101-45-33-29-37-87(101)91-61-49-79(75-105(91)111)73-99(85-59-63-93-89-39-31-35-47-103(89)113(69-21-13-5,70-22-14-6)107(93)77-85)81-51-55-83(56-52-81)109-95-41-25-27-43-97(95)110(98-44-28-26-42-96(98)109)84-57-53-82(54-58-84)100(86-60-64-94-90-40-32-36-48-104(90)114(71-23-15-7,72-24-16-8)108(94)78-86)74-80-50-62-92-88-38-30-34-46-102(88)112(67-19-11-3,68-20-12-4)106(92)76-80;1-103(2,3)75-49-55-83-84-56-50-76(104(4,5)6)64-98(84)107(97(83)63-75)93-37-25-23-31-79(93)81-53-47-73(61-95(81)107)91(59-67-27-15-13-16-28-67)69-39-43-71(44-40-69)101-87-33-19-21-35-89(87)102(90-36-22-20-34-88(90)101)72-45-41-70(42-46-72)92(60-68-29-17-14-18-30-68)74-48-54-82-80-32-24-26-38-94(80)108(96(82)62-74)99-65-77(105(7,8)9)51-57-85(99)86-58-52-78(66-100(86)108)106(10,11)12/h17-72,77-82H,9-16,73-76H2,1-8H3;25-64,73-78H,9-24,65-72H2,1-8H3;13-66H,1-12H3/b111-77-,112-78-;99-73-,100-74-;91-59-,92-60- |
| InChIKey | RUKIGSOYDTYZGG-FWCJBUNMSA-N |
| XLogP | 94.03 |
| TPSA | 36.92 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 4 |
| Rotatable Bonds | 68 |
| Heavy Atoms | 352 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4564.37 |
| LogP ≤ 5 | 94.03 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 4 |