C430H408 — CID 159581290
9,9-bis[3-[3-(1-butylcyclohexyl)-5-(3-phenylphenyl)phenyl]phenyl]fluorene;9,9-bis[3-[3-(1,1,2,2,3,3-hexamethylinden-5-yl)-5-phenylphenyl]phenyl]fluorene;9,9-bis[3-(1,1,2,2,3,3-hexamethyl-6-phenylinden-5-yl)phenyl]fluorene;9,9-bis[3-(1,1,2,2,3,3-hexamethyl-7-phenylinden-5-yl)phenyl]fluorene;9,9-bis[3-(3-hexyl-5-phenylphenyl)phenyl]fluorene;2-[3-tert-butyl-5-[3-[9-[3-[3-tert-butyl-5-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]fluoren-9-yl]phenyl]phenyl]-9,9-dimethylfluorene (PubChem CID 159581290) has the molecular formula C430H408 and a molecular weight of 5575.99 g/mol. Its IUPAC name is 9,9-bis[3-[3-(1-butylcyclohexyl)-5-(3-phenylphenyl)phenyl]phenyl]fluorene;9,9-bis[3-[3-(1,1,2,2,3,3-hexamethylinden-5-yl)-5-phenylphenyl]phenyl]fluorene;9,9-bis[3-(1,1,2,2,3,3-hexamethyl-6-phenylinden-5-yl)phenyl]fluorene;9,9-bis[3-(1,1,2,2,3,3-hexamethyl-7-phenylinden-5-yl)phenyl]fluorene;9,9-bis[3-(3-hexyl-5-phenylphenyl)phenyl]fluorene;2-[3-tert-butyl-5-[3-[9-[3-[3-tert-butyl-5-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]fluoren-9-yl]phenyl]phenyl]-9,9-dimethylfluorene.
| Compound Name | 9,9-bis[3-[3-(1-butylcyclohexyl)-5-(3-phenylphenyl)phenyl]phenyl]fluorene;9,9-bis[3-[3-(1,1,2,2,3,3-hexamethylinden-5-yl)-5-phenylphenyl]phenyl]fluorene;9,9-bis[3-(1,1,2,2,3,3-hexamethyl-6-phenylinden-5-yl)phenyl]fluorene;9,9-bis[3-(1,1,2,2,3,3-hexamethyl-7-phenylinden-5-yl)phenyl]fluorene;9,9-bis[3-(3-hexyl-5-phenylphenyl)phenyl]fluorene;2-[3-tert-butyl-5-[3-[9-[3-[3-tert-butyl-5-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]fluoren-9-yl]phenyl]phenyl]-9,9-dimethylfluorene |
|---|---|
| PubChem CID | 159581290 |
| Molecular Formula | C430H408 |
| Molecular Weight | 5575.99 g/mol |
| Exact Mass | 5571.19 |
| IUPAC Name | 9,9-bis[3-[3-(1-butylcyclohexyl)-5-(3-phenylphenyl)phenyl]phenyl]fluorene;9,9-bis[3-[3-(1,1,2,2,3,3-hexamethylinden-5-yl)-5-phenylphenyl]phenyl]fluorene;9,9-bis[3-(1,1,2,2,3,3-hexamethyl-6-phenylinden-5-yl)phenyl]fluorene;9,9-bis[3-(1,1,2,2,3,3-hexamethyl-7-phenylinden-5-yl)phenyl]fluorene;9,9-bis[3-(3-hexyl-5-phenylphenyl)phenyl]fluorene;2-[3-tert-butyl-5-[3-[9-[3-[3-tert-butyl-5-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]fluoren-9-yl]phenyl]phenyl]-9,9-dimethylfluorene |
| SMILES | CC(C)(C)c1cc(-c2cccc(C3(c4cccc(-c5cc(-c6ccc7c(c6)C(C)(C)c6ccccc6-7)cc(C(C)(C)C)c5)c4)c4ccccc4-c4ccccc43)c2)cc(-c2ccc3c(c2)C(C)(C)c2ccccc2-3)c1.CC1(C)c2cc(-c3cccc(C4(c5cccc(-c6cc(-c7ccccc7)c7c(c6)C(C)(C)C(C)(C)C7(C)C)c5)c5ccccc5-c5ccccc54)c3)cc(-c3ccccc3)c2C(C)(C)C1(C)C.CC1(C)c2cc(-c3ccccc3)c(-c3cccc(C4(c5cccc(-c6cc7c(cc6-c6ccccc6)C(C)(C)C(C)(C)C7(C)C)c5)c5ccccc5-c5ccccc54)c3)cc2C(C)(C)C1(C)C.CC1(C)c2ccc(-c3cc(-c4ccccc4)cc(-c4cccc(C5(c6cccc(-c7cc(-c8ccccc8)cc(-c8ccc9c(c8)C(C)(C)C(C)(C)C9(C)C)c7)c6)c6ccccc6-c6ccccc65)c4)c3)cc2C(C)(C)C1(C)C.CCCCC1(c2cc(-c3cccc(-c4ccccc4)c3)cc(-c3cccc(C4(c5cccc(-c6cc(-c7cccc(-c8ccccc8)c7)cc(C7(CCCC)CCCCC7)c6)c5)c5ccccc5-c5ccccc54)c3)c2)CCCCC1.CCCCCCc1cc(-c2ccccc2)cc(-c2cccc(C3(c4cccc(-c5cc(CCCCCC)cc(-c6ccccc6)c5)c4)c4ccccc4-c4ccccc43)c2)c1 |
| InChI | InChI=1S/C81H78.C79H74.C75H66.2C67H66.C61H58/c1-3-5-43-79(45-19-9-20-46-79)73-55-67(63-33-23-31-61(49-63)59-27-11-7-12-28-59)51-69(57-73)65-35-25-37-71(53-65)81(77-41-17-15-39-75(77)76-40-16-18-42-78(76)81)72-38-26-36-66(54-72)70-52-68(64-34-24-32-62(50-64)60-29-13-8-14-30-60)56-74(58-70)80(44-6-4-2)47-21-10-22-48-80;1-73(2)69-39-37-55(49-71(69)75(5,6)77(73,9)10)61-43-57(51-25-15-13-16-26-51)41-59(45-61)53-29-23-31-63(47-53)79(67-35-21-19-33-65(67)66-34-20-22-36-68(66)79)64-32-24-30-54(48-64)60-42-58(52-27-17-14-18-28-52)44-62(46-60)56-38-40-70-72(50-56)76(7,8)78(11,12)74(70,3)4;1-71(2,3)57-41-51(37-53(43-57)49-33-35-63-59-25-11-15-29-65(59)73(7,8)69(63)45-49)47-21-19-23-55(39-47)75(67-31-17-13-27-61(67)62-28-14-18-32-68(62)75)56-24-20-22-48(40-56)52-38-54(44-58(42-52)72(4,5)6)50-34-36-64-60-26-12-16-30-66(60)74(9,10)70(64)46-50;1-61(2)57-41-47(39-53(43-25-15-13-16-26-43)59(57)63(5,6)65(61,9)10)45-29-23-31-49(37-45)67(55-35-21-19-33-51(55)52-34-20-22-36-56(52)67)50-32-24-30-46(38-50)48-40-54(44-27-17-14-18-28-44)60-58(42-48)62(3,4)66(11,12)64(60,7)8;1-61(2)57-39-51(43-25-15-13-16-26-43)53(41-59(57)63(5,6)65(61,9)10)45-29-23-31-47(37-45)67(55-35-21-19-33-49(55)50-34-20-22-36-56(50)67)48-32-24-30-46(38-48)54-42-60-58(40-52(54)44-27-17-14-18-28-44)62(3,4)66(11,12)64(60,7)8;1-3-5-7-11-23-45-37-51(47-25-13-9-14-26-47)41-53(39-45)49-29-21-31-55(43-49)61(59-35-19-17-33-57(59)58-34-18-20-36-60(58)61)56-32-22-30-50(44-56)54-40-46(24-12-8-6-4-2)38-52(42-54)48-27-15-10-16-28-48/h7-8,11-18,23-42,49-58H,3-6,9-10,19-22,43-48H2,1-2H3;13-50H,1-12H3;11-46H,1-10H3;2*13-42H,1-12H3;9-10,13-22,25-44H,3-8,11-12,23-24H2,1-2H3 |
| InChIKey | MJAZQPRTATYHGY-UHFFFAOYSA-N |
| XLogP | 116.78 |
| TPSA | 0.00 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | |
| Rotatable Bonds | 58 |
| Heavy Atoms | 430 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 5575.99 |
| LogP ≤ 5 | 116.78 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |