C418H300 — CID 159631829
9-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-10-[10-[4-(4-ethylphenyl)phenyl]anthracen-9-yl]anthracene;9-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-10-(10-naphthalen-1-ylanthracen-9-yl)anthracene;9-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-10-(10-naphthalen-2-ylanthracen-9-yl)anthracene;9-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-10-[10-(2-phenylphenyl)anthracen-9-yl]anthracene;9-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-10-[10-(3-phenylphenyl)anthracen-9-yl]anthracene;9-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-10-[10-(4-phenylphenyl)anthracen-9-yl]anthracene (PubChem CID 159631829) has the molecular formula C418H300 and a molecular weight of 5323.00 g/mol. Its IUPAC name is 9-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-10-[10-[4-(4-ethylphenyl)phenyl]anthracen-9-yl]anthracene;9-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-10-(10-naphthalen-1-ylanthracen-9-yl)anthracene;9-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-10-(10-naphthalen-2-ylanthracen-9-yl)anthracene;9-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-10-[10-(2-phenylphenyl)anthracen-9-yl]anthracene;9-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-10-[10-(3-phenylphenyl)anthracen-9-yl]anthracene;9-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-10-[10-(4-phenylphenyl)anthracen-9-yl]anthracene.
| Compound Name | 9-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-10-[10-[4-(4-ethylphenyl)phenyl]anthracen-9-yl]anthracene;9-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-10-(10-naphthalen-1-ylanthracen-9-yl)anthracene;9-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-10-(10-naphthalen-2-ylanthracen-9-yl)anthracene;9-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-10-[10-(2-phenylphenyl)anthracen-9-yl]anthracene;9-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-10-[10-(3-phenylphenyl)anthracen-9-yl]anthracene;9-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-10-[10-(4-phenylphenyl)anthracen-9-yl]anthracene |
|---|---|
| PubChem CID | 159631829 |
| Molecular Formula | C418H300 |
| Molecular Weight | 5323.00 g/mol |
| Exact Mass | 5318.35 |
| IUPAC Name | 9-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-10-[10-[4-(4-ethylphenyl)phenyl]anthracen-9-yl]anthracene;9-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-10-(10-naphthalen-1-ylanthracen-9-yl)anthracene;9-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-10-(10-naphthalen-2-ylanthracen-9-yl)anthracene;9-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-10-[10-(2-phenylphenyl)anthracen-9-yl]anthracene;9-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-10-[10-(3-phenylphenyl)anthracen-9-yl]anthracene;9-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-10-[10-(4-phenylphenyl)anthracen-9-yl]anthracene |
| SMILES | CC1(C)c2ccccc2-c2ccc(-c3ccc4c(c3)C(C)(C)c3cc(-c5c6ccccc6c(-c6c7ccccc7c(-c7ccc(-c8ccccc8)cc7)c7ccccc67)c6ccccc56)ccc3-4)cc21.CC1(C)c2ccccc2-c2ccc(-c3ccc4c(c3)C(C)(C)c3cc(-c5c6ccccc6c(-c6c7ccccc7c(-c7ccc8ccccc8c7)c7ccccc67)c6ccccc56)ccc3-4)cc21.CC1(C)c2ccccc2-c2ccc(-c3ccc4c(c3)C(C)(C)c3cc(-c5c6ccccc6c(-c6c7ccccc7c(-c7cccc(-c8ccccc8)c7)c7ccccc67)c6ccccc56)ccc3-4)cc21.CC1(C)c2ccccc2-c2ccc(-c3ccc4c(c3)C(C)(C)c3cc(-c5c6ccccc6c(-c6c7ccccc7c(-c7cccc8ccccc78)c7ccccc67)c6ccccc56)ccc3-4)cc21.CC1(C)c2ccccc2-c2ccc(-c3ccc4c(c3)C(C)(C)c3cc(-c5c6ccccc6c(-c6c7ccccc7c(-c7ccccc7-c7ccccc7)c7ccccc67)c6ccccc56)ccc3-4)cc21.CCc1ccc(-c2ccc(-c3c4ccccc4c(-c4c5ccccc5c(-c5ccc6c(c5)C(C)(C)c5cc(-c7ccc8c(c7)C(C)(C)c7ccccc7-8)ccc5-6)c5ccccc45)c4ccccc34)cc2)cc1 |
| InChI | InChI=1S/C72H54.3C70H50.2C68H48/c1-6-44-27-29-45(30-28-44)46-31-33-47(34-32-46)67-55-18-7-11-22-59(55)69(60-23-12-8-19-56(60)67)70-61-24-13-9-20-57(61)68(58-21-10-14-25-62(58)70)50-37-40-54-53-39-36-49(42-65(53)72(4,5)66(54)43-50)48-35-38-52-51-17-15-16-26-63(51)71(2,3)64(52)41-48;1-69(2)61-32-17-16-23-49(61)50-36-33-45(40-62(50)69)46-34-37-51-52-38-35-48(42-64(52)70(3,4)63(51)41-46)66-55-26-10-14-30-59(55)68(60-31-15-11-27-56(60)66)67-57-28-12-8-24-53(57)65(54-25-9-13-29-58(54)67)47-22-18-21-44(39-47)43-19-6-5-7-20-43;1-69(2)61-29-17-16-20-49(61)50-37-34-46(40-62(50)69)47-35-38-51-52-39-36-48(42-64(52)70(3,4)63(51)41-47)66-55-23-10-14-27-59(55)68(60-28-15-11-24-56(60)66)67-57-25-12-8-21-53(57)65(54-22-9-13-26-58(54)67)45-32-30-44(31-33-45)43-18-6-5-7-19-43;1-69(2)61-33-19-18-23-48(61)49-37-34-44(40-62(49)69)45-35-38-50-51-39-36-46(42-64(51)70(3,4)63(50)41-45)65-53-25-10-14-29-57(53)67(58-30-15-11-26-54(58)65)68-59-31-16-12-27-55(59)66(56-28-13-17-32-60(56)68)52-24-9-8-22-47(52)43-20-6-5-7-21-43;1-67(2)59-31-16-15-21-46(59)47-35-32-42(38-60(47)67)43-33-36-48-49-37-34-44(40-62(49)68(3,4)61(48)39-43)63-51-22-7-11-26-55(51)65(56-27-12-8-23-52(56)63)66-57-28-13-9-24-53(57)64(54-25-10-14-29-58(54)66)50-30-17-19-41-18-5-6-20-45(41)50;1-67(2)59-28-16-15-19-47(59)48-34-31-43(38-60(48)67)44-32-35-49-50-36-33-46(40-62(50)68(3,4)61(49)39-44)64-53-22-9-13-26-57(53)66(58-27-14-10-23-54(58)64)65-55-24-11-7-20-51(55)63(52-21-8-12-25-56(52)65)45-30-29-41-17-5-6-18-42(41)37-45/h7-43H,6H2,1-5H3;3*5-42H,1-4H3;2*5-40H,1-4H3 |
| InChIKey | MPFMIYJEWMFCEZ-UHFFFAOYSA-N |
| XLogP | 115.02 |
| TPSA | 0.00 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | |
| Rotatable Bonds | 29 |
| Heavy Atoms | 418 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 5323.00 |
| LogP ≤ 5 | 115.02 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |