C343H234B2Br2O4 — CID 159688362
anthracen-9-ylboronic acid;9-(4-anthracen-9-ylphenyl)-10-[4-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]phenyl]anthracene;9-bromo-10-[4-[10-[4-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]phenyl]anthracen-9-yl]phenyl]anthracene;9-(4-bromophenyl)-10-[4-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]phenyl]anthracene;9-(9,9-dimethylfluoren-2-yl)-10-[4-(10-phenylanthracen-9-yl)phenyl]anthracene;9-(9,9-dimethylfluoren-2-yl)-10-[4-[10-[4-(10-phenylanthracen-9-yl)phenyl]anthracen-9-yl]phenyl]anthracene;phenylboronic acid (PubChem CID 159688362) has the molecular formula C343H234B2Br2O4 and a molecular weight of 4601.07 g/mol. Its IUPAC name is anthracen-9-ylboronic acid;9-(4-anthracen-9-ylphenyl)-10-[4-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]phenyl]anthracene;9-bromo-10-[4-[10-[4-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]phenyl]anthracen-9-yl]phenyl]anthracene;9-(4-bromophenyl)-10-[4-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]phenyl]anthracene;9-(9,9-dimethylfluoren-2-yl)-10-[4-(10-phenylanthracen-9-yl)phenyl]anthracene;9-(9,9-dimethylfluoren-2-yl)-10-[4-[10-[4-(10-phenylanthracen-9-yl)phenyl]anthracen-9-yl]phenyl]anthracene;phenylboronic acid.
| Compound Name | anthracen-9-ylboronic acid;9-(4-anthracen-9-ylphenyl)-10-[4-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]phenyl]anthracene;9-bromo-10-[4-[10-[4-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]phenyl]anthracen-9-yl]phenyl]anthracene;9-(4-bromophenyl)-10-[4-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]phenyl]anthracene;9-(9,9-dimethylfluoren-2-yl)-10-[4-(10-phenylanthracen-9-yl)phenyl]anthracene;9-(9,9-dimethylfluoren-2-yl)-10-[4-[10-[4-(10-phenylanthracen-9-yl)phenyl]anthracen-9-yl]phenyl]anthracene;phenylboronic acid |
|---|---|
| PubChem CID | 159688362 |
| Molecular Formula | C343H234B2Br2O4 |
| Molecular Weight | 4601.07 g/mol |
| Exact Mass | 4595.67 |
| IUPAC Name | anthracen-9-ylboronic acid;9-(4-anthracen-9-ylphenyl)-10-[4-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]phenyl]anthracene;9-bromo-10-[4-[10-[4-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]phenyl]anthracen-9-yl]phenyl]anthracene;9-(4-bromophenyl)-10-[4-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]phenyl]anthracene;9-(9,9-dimethylfluoren-2-yl)-10-[4-(10-phenylanthracen-9-yl)phenyl]anthracene;9-(9,9-dimethylfluoren-2-yl)-10-[4-[10-[4-(10-phenylanthracen-9-yl)phenyl]anthracen-9-yl]phenyl]anthracene;phenylboronic acid |
| SMILES | CC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4ccc(-c5c6ccccc6c(-c6ccc(-c7c8ccccc8c(-c8ccccc8)c8ccccc78)cc6)c6ccccc56)cc4)c4ccccc34)cc21.CC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4ccc(-c5c6ccccc6c(-c6ccc(-c7c8ccccc8c(Br)c8ccccc78)cc6)c6ccccc56)cc4)c4ccccc34)cc21.CC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4ccc(-c5c6ccccc6c(-c6ccc(-c7c8ccccc8cc8ccccc78)cc6)c6ccccc56)cc4)c4ccccc34)cc21.CC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4ccc(-c5c6ccccc6c(-c6ccc(Br)cc6)c6ccccc56)cc4)c4ccccc34)cc21.CC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4ccc(-c5c6ccccc6c(-c6ccccc6)c6ccccc56)cc4)c4ccccc34)cc21.OB(O)c1c2ccccc2cc2ccccc12.OB(O)c1ccccc1 |
| InChI | InChI=1S/C75H50.C69H45Br.C69H46.C55H37Br.C55H38.C14H11BO2.C6H7BO2/c1-75(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;1-69(2)61-30-16-15-17-47(61)48-40-39-46(41-62(48)69)67-55-24-9-7-22-53(55)65(54-23-8-10-25-56(54)67)44-33-31-42(32-34-44)63-49-18-3-5-20-51(49)64(52-21-6-4-19-50(52)63)43-35-37-45(38-36-43)66-57-26-11-13-28-59(57)68(70)60-29-14-12-27-58(60)66;1-69(2)62-30-16-15-21-52(62)53-40-39-49(42-63(53)69)68-60-28-13-11-26-58(60)67(59-27-12-14-29-61(59)68)46-37-35-45(36-38-46)66-56-24-9-7-22-54(56)65(55-23-8-10-25-57(55)66)44-33-31-43(32-34-44)64-50-19-5-3-17-47(50)41-48-18-4-6-20-51(48)64;1-55(2)49-22-12-11-13-39(49)40-32-29-37(33-50(40)55)54-47-20-9-7-18-45(47)52(46-19-8-10-21-48(46)54)35-25-23-34(24-26-35)51-41-14-3-5-16-43(41)53(36-27-30-38(56)31-28-36)44-17-6-4-15-42(44)51;1-55(2)49-27-15-14-18-39(49)40-33-32-38(34-50(40)55)54-47-25-12-10-23-45(47)53(46-24-11-13-26-48(46)54)37-30-28-36(29-31-37)52-43-21-8-6-19-41(43)51(35-16-4-3-5-17-35)42-20-7-9-22-44(42)52;16-15(17)14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)14;8-7(9)6-4-2-1-3-5-6/h3-46H,1-2H3;3-41H,1-2H3;3-42H,1-2H3;3-33H,1-2H3;3-34H,1-2H3;1-9,16-17H;1-5,8-9H |
| InChIKey | MWBYXNSVPVBUOM-UHFFFAOYSA-N |
| XLogP | 92.52 |
| TPSA | 80.92 Ų |
| H-Bond Donors | 4 |
| H-Bond Acceptors | 4 |
| Rotatable Bonds | 26 |
| Heavy Atoms | 351 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4601.07 |
| LogP ≤ 5 | 92.52 |
| H-Bond Donors ≤ 5 | 4 |
| H-Bond Acceptors ≤ 10 | 4 |