C436H310 — CID 159205359
2-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-6,6,12,12-tetramethyl-8-(10-phenylanthracen-9-yl)-6a,10a-dihydroindeno[1,2-b]fluorene;9-(9,9-dimethylfluoren-2-yl)-10-[9,9-dimethyl-7-(10-phenylanthracen-9-yl)fluoren-2-yl]anthracene;9-(9,9-dimethylfluoren-2-yl)-10-[7-[9,9-dimethyl-7-(10-phenylanthracen-9-yl)fluoren-2-yl]-9,9-dimethylfluoren-2-yl]anthracene;9-(9,9-dimethylfluoren-2-yl)-10-[4-[9,9-dimethyl-7-[4-(10-phenylanthracen-9-yl)phenyl]fluoren-2-yl]phenyl]anthracene;9-(9,9-dimethylfluoren-2-yl)-10-[4-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]naphthalen-1-yl]anthracene;9-(9,9-dimethylfluoren-2-yl)-10-[4-[10-[4-(10-phenylanthracen-9-yl)phenyl]anthracen-9-yl]phenyl]anthracene (PubChem CID 159205359) has the molecular formula C436H310 and a molecular weight of 5549.28 g/mol. Its IUPAC name is 2-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-6,6,12,12-tetramethyl-8-(10-phenylanthracen-9-yl)-6a,10a-dihydroindeno[1,2-b]fluorene;9-(9,9-dimethylfluoren-2-yl)-10-[9,9-dimethyl-7-(10-phenylanthracen-9-yl)fluoren-2-yl]anthracene;9-(9,9-dimethylfluoren-2-yl)-10-[7-[9,9-dimethyl-7-(10-phenylanthracen-9-yl)fluoren-2-yl]-9,9-dimethylfluoren-2-yl]anthracene;9-(9,9-dimethylfluoren-2-yl)-10-[4-[9,9-dimethyl-7-[4-(10-phenylanthracen-9-yl)phenyl]fluoren-2-yl]phenyl]anthracene;9-(9,9-dimethylfluoren-2-yl)-10-[4-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]naphthalen-1-yl]anthracene;9-(9,9-dimethylfluoren-2-yl)-10-[4-[10-[4-(10-phenylanthracen-9-yl)phenyl]anthracen-9-yl]phenyl]anthracene.
| Compound Name | 2-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-6,6,12,12-tetramethyl-8-(10-phenylanthracen-9-yl)-6a,10a-dihydroindeno[1,2-b]fluorene;9-(9,9-dimethylfluoren-2-yl)-10-[9,9-dimethyl-7-(10-phenylanthracen-9-yl)fluoren-2-yl]anthracene;9-(9,9-dimethylfluoren-2-yl)-10-[7-[9,9-dimethyl-7-(10-phenylanthracen-9-yl)fluoren-2-yl]-9,9-dimethylfluoren-2-yl]anthracene;9-(9,9-dimethylfluoren-2-yl)-10-[4-[9,9-dimethyl-7-[4-(10-phenylanthracen-9-yl)phenyl]fluoren-2-yl]phenyl]anthracene;9-(9,9-dimethylfluoren-2-yl)-10-[4-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]naphthalen-1-yl]anthracene;9-(9,9-dimethylfluoren-2-yl)-10-[4-[10-[4-(10-phenylanthracen-9-yl)phenyl]anthracen-9-yl]phenyl]anthracene |
|---|---|
| PubChem CID | 159205359 |
| Molecular Formula | C436H310 |
| Molecular Weight | 5549.28 g/mol |
| Exact Mass | 5544.43 |
| IUPAC Name | 2-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-6,6,12,12-tetramethyl-8-(10-phenylanthracen-9-yl)-6a,10a-dihydroindeno[1,2-b]fluorene;9-(9,9-dimethylfluoren-2-yl)-10-[9,9-dimethyl-7-(10-phenylanthracen-9-yl)fluoren-2-yl]anthracene;9-(9,9-dimethylfluoren-2-yl)-10-[7-[9,9-dimethyl-7-(10-phenylanthracen-9-yl)fluoren-2-yl]-9,9-dimethylfluoren-2-yl]anthracene;9-(9,9-dimethylfluoren-2-yl)-10-[4-[9,9-dimethyl-7-[4-(10-phenylanthracen-9-yl)phenyl]fluoren-2-yl]phenyl]anthracene;9-(9,9-dimethylfluoren-2-yl)-10-[4-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]naphthalen-1-yl]anthracene;9-(9,9-dimethylfluoren-2-yl)-10-[4-[10-[4-(10-phenylanthracen-9-yl)phenyl]anthracen-9-yl]phenyl]anthracene |
| SMILES | CC1(C)c2cc(-c3ccc(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)cc3)ccc2-c2ccc(-c3ccc(-c4c5ccccc5c(-c5ccc6c(c5)C(C)(C)c5ccccc5-6)c5ccccc45)cc3)cc21.CC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4ccc(-c5c6ccccc6c(-c6ccc(-c7c8ccccc8c(-c8ccccc8)c8ccccc78)cc6)c6ccccc56)cc4)c4ccccc34)cc21.CC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4ccc(-c5ccc(-c6c7ccccc7c(-c7ccccc7)c7ccccc67)c6ccccc56)c5ccccc45)c4ccccc34)cc21.CC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4ccc5c(c4)C(C)(C)c4cc(-c6c7ccccc7c(-c7ccccc7)c7ccccc67)ccc4-5)c4ccccc34)cc21.CC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4ccc5c(c4)C(C)(C)c4cc(-c6ccc7c(c6)C(C)(C)c6cc(-c8c9ccccc9c(-c9ccccc9)c9ccccc89)ccc6-7)ccc4-5)c4ccccc34)cc21.CC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4ccc5c(c4)C(C)(C)c4cc6c(cc4-5)C(C)(C)C4C=C(c5c7ccccc7c(-c7ccccc7)c7ccccc57)C=CC64)c4ccccc34)cc21 |
| InChI | InChI=1S/C79H58.C76H54.C75H50.C73H56.C69H46.C64H46/c1-77(2)67-31-19-18-22-53(67)54-39-34-50(44-70(54)77)75-63-27-14-16-29-65(63)76(66-30-17-15-28-64(66)75)52-36-41-58-56-38-33-49(43-69(56)79(5,6)72(58)46-52)48-32-37-55-57-40-35-51(45-71(57)78(3,4)68(55)42-48)74-61-25-12-10-23-59(61)73(47-20-8-7-9-21-47)60-24-11-13-26-62(60)74;1-75(2)67-29-17-16-20-55(67)56-43-40-54(46-70(56)75)74-65-27-14-12-25-63(65)73(64-26-13-15-28-66(64)74)51-36-32-48(33-37-51)53-39-42-58-57-41-38-52(44-68(57)76(3,4)69(58)45-53)47-30-34-50(35-31-47)72-61-23-10-8-21-59(61)71(49-18-6-5-7-19-49)60-22-9-11-24-62(60)72;1-75(2)67-35-19-18-22-53(67)54-45-44-52(46-68(54)75)74-65-33-16-14-31-63(65)73(64-32-15-17-34-66(64)74)51-42-40-50(41-43-51)72-61-29-12-10-27-59(61)71(60-28-11-13-30-62(60)72)49-38-36-48(37-39-49)70-57-25-8-6-23-55(57)69(47-20-4-3-5-21-47)56-24-7-9-26-58(56)70;1-71(2)61-31-19-18-22-47(61)48-35-32-44(38-62(48)71)69-55-27-14-16-29-57(55)70(58-30-17-15-28-56(58)69)46-34-37-50-60-42-65-59(41-66(60)73(5,6)64(50)40-46)49-36-33-45(39-63(49)72(65,3)4)68-53-25-12-10-23-51(53)67(43-20-8-7-9-21-43)52-24-11-13-26-54(52)68;1-69(2)63-35-19-18-26-51(63)52-37-36-44(42-64(52)69)66-55-29-12-16-33-59(55)68(60-34-17-13-30-56(60)66)62-41-39-50(46-23-7-9-25-48(46)62)49-38-40-61(47-24-8-6-22-45(47)49)67-57-31-14-10-27-53(57)65(43-20-4-3-5-21-43)54-28-11-15-32-58(54)67;1-63(2)55-29-17-16-20-43(55)44-33-30-40(36-56(44)63)61-51-25-12-14-27-53(51)62(54-28-15-13-26-52(54)61)42-32-35-46-45-34-31-41(37-57(45)64(3,4)58(46)38-42)60-49-23-10-8-21-47(49)59(39-18-6-5-7-19-39)48-22-9-11-24-50(48)60/h7-46H,1-6H3;5-46H,1-4H3;3-46H,1-2H3;7-42,49,63H,1-6H3;3-42H,1-2H3;5-38H,1-4H3 |
| InChIKey | KPUTZCIDWYRPGM-UHFFFAOYSA-N |
| XLogP | 119.77 |
| TPSA | 0.00 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | |
| Rotatable Bonds | 30 |
| Heavy Atoms | 436 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 5549.28 |
| LogP ≤ 5 | 119.77 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |