C241H170 — CID 158291973
2-[4-[10-[4-(2,2-diphenylethenyl)phenyl]anthracen-9-yl]phenyl]-9,9'-spirobi[fluorene];2'-[3-[10-[4-(2,2-diphenylethenyl)phenyl]anthracen-9-yl]phenyl]spiro[cyclohexane-1,9'-fluorene];2'-[3-[10-[4-(2,2-diphenylethenyl)phenyl]anthracen-9-yl]phenyl]spiro[cyclopentane-1,9'-fluorene];2'-[3-[10-[4-(2,2-diphenylethenyl)phenyl]anthracen-9-yl]phenyl]spiro[1,3-dihydroindene-2,9'-fluorene] (PubChem CID 158291973) has the molecular formula C241H170 and a molecular weight of 3066.01 g/mol. Its IUPAC name is 2-[4-[10-[4-(2,2-diphenylethenyl)phenyl]anthracen-9-yl]phenyl]-9,9'-spirobi[fluorene];2'-[3-[10-[4-(2,2-diphenylethenyl)phenyl]anthracen-9-yl]phenyl]spiro[cyclohexane-1,9'-fluorene];2'-[3-[10-[4-(2,2-diphenylethenyl)phenyl]anthracen-9-yl]phenyl]spiro[cyclopentane-1,9'-fluorene];2'-[3-[10-[4-(2,2-diphenylethenyl)phenyl]anthracen-9-yl]phenyl]spiro[1,3-dihydroindene-2,9'-fluorene].
| Compound Name | 2-[4-[10-[4-(2,2-diphenylethenyl)phenyl]anthracen-9-yl]phenyl]-9,9'-spirobi[fluorene];2'-[3-[10-[4-(2,2-diphenylethenyl)phenyl]anthracen-9-yl]phenyl]spiro[cyclohexane-1,9'-fluorene];2'-[3-[10-[4-(2,2-diphenylethenyl)phenyl]anthracen-9-yl]phenyl]spiro[cyclopentane-1,9'-fluorene];2'-[3-[10-[4-(2,2-diphenylethenyl)phenyl]anthracen-9-yl]phenyl]spiro[1,3-dihydroindene-2,9'-fluorene] |
|---|---|
| PubChem CID | 158291973 |
| Molecular Formula | C241H170 |
| Molecular Weight | 3066.01 g/mol |
| Exact Mass | 3063.33 |
| IUPAC Name | 2-[4-[10-[4-(2,2-diphenylethenyl)phenyl]anthracen-9-yl]phenyl]-9,9'-spirobi[fluorene];2'-[3-[10-[4-(2,2-diphenylethenyl)phenyl]anthracen-9-yl]phenyl]spiro[cyclohexane-1,9'-fluorene];2'-[3-[10-[4-(2,2-diphenylethenyl)phenyl]anthracen-9-yl]phenyl]spiro[cyclopentane-1,9'-fluorene];2'-[3-[10-[4-(2,2-diphenylethenyl)phenyl]anthracen-9-yl]phenyl]spiro[1,3-dihydroindene-2,9'-fluorene] |
| SMILES | C(=C(c1ccccc1)c1ccccc1)c1ccc(-c2c3ccccc3c(-c3ccc(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)cc3)c3ccccc23)cc1.C(=C(c1ccccc1)c1ccccc1)c1ccc(-c2c3ccccc3c(-c3cccc(-c4ccc5c(c4)C4(CCCC4)c4ccccc4-5)c3)c3ccccc23)cc1.C(=C(c1ccccc1)c1ccccc1)c1ccc(-c2c3ccccc3c(-c3cccc(-c4ccc5c(c4)C4(CCCCC4)c4ccccc4-5)c3)c3ccccc23)cc1.C(=C(c1ccccc1)c1ccccc1)c1ccc(-c2c3ccccc3c(-c3cccc(-c4ccc5c(c4)C4(Cc6ccccc6C4)c4ccccc4-5)c3)c3ccccc23)cc1 |
| InChI | InChI=1S/C65H42.C61H42.C58H44.C57H42/c1-3-17-45(18-4-1)58(46-19-5-2-6-20-46)41-43-31-33-47(34-32-43)63-54-24-7-9-26-56(54)64(57-27-10-8-25-55(57)63)48-37-35-44(36-38-48)49-39-40-53-52-23-13-16-30-61(52)65(62(53)42-49)59-28-14-11-21-50(59)51-22-12-15-29-60(51)65;1-3-16-42(17-4-1)56(43-18-5-2-6-19-43)36-41-30-32-44(33-31-41)59-52-25-9-11-27-54(52)60(55-28-12-10-26-53(55)59)47-23-15-22-45(37-47)46-34-35-51-50-24-13-14-29-57(50)61(58(51)38-46)39-48-20-7-8-21-49(48)40-61;1-4-17-41(18-5-1)53(42-19-6-2-7-20-42)37-40-29-31-43(32-30-40)56-49-24-8-10-26-51(49)57(52-27-11-9-25-50(52)56)46-22-16-21-44(38-46)45-33-34-48-47-23-12-13-28-54(47)58(55(48)39-45)35-14-3-15-36-58;1-3-16-40(17-4-1)52(41-18-5-2-6-19-41)36-39-28-30-42(31-29-39)55-48-23-7-9-25-50(48)56(51-26-10-8-24-49(51)55)45-21-15-20-43(37-45)44-32-33-47-46-22-11-12-27-53(46)57(54(47)38-44)34-13-14-35-57/h1-42H;1-38H,39-40H2;1-2,4-13,16-34,37-39H,3,14-15,35-36H2;1-12,15-33,36-38H,13-14,34-35H2 |
| InChIKey | GLLRJAGFXGNCAS-UHFFFAOYSA-N |
| XLogP | 63.81 |
| TPSA | 0.00 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | |
| Rotatable Bonds | 24 |
| Heavy Atoms | 241 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3066.01 |
| LogP ≤ 5 | 63.81 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
| Structural Alerts | {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'} |
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