C256H166 — CID 159912544
9-[4-[9-(4-anthracen-9-ylphenyl)fluoren-9-yl]phenyl]-10-phenylanthracene;2',7'-bis[3-(9-phenylfluoren-9-yl)phenyl]-9,9'-spirobi[fluorene];9-[4-[2,7-diphenyl-9-(4-phenylphenyl)fluoren-9-yl]phenyl]-10-phenylanthracene;9-naphthalen-1-yl-10-[4-[9-(4-naphthalen-1-ylphenyl)fluoren-9-yl]phenyl]anthracene (PubChem CID 159912544) has the molecular formula C256H166 and a molecular weight of 3242.14 g/mol. Its IUPAC name is 9-[4-[9-(4-anthracen-9-ylphenyl)fluoren-9-yl]phenyl]-10-phenylanthracene;2',7'-bis[3-(9-phenylfluoren-9-yl)phenyl]-9,9'-spirobi[fluorene];9-[4-[2,7-diphenyl-9-(4-phenylphenyl)fluoren-9-yl]phenyl]-10-phenylanthracene;9-naphthalen-1-yl-10-[4-[9-(4-naphthalen-1-ylphenyl)fluoren-9-yl]phenyl]anthracene.
| Compound Name | 9-[4-[9-(4-anthracen-9-ylphenyl)fluoren-9-yl]phenyl]-10-phenylanthracene;2',7'-bis[3-(9-phenylfluoren-9-yl)phenyl]-9,9'-spirobi[fluorene];9-[4-[2,7-diphenyl-9-(4-phenylphenyl)fluoren-9-yl]phenyl]-10-phenylanthracene;9-naphthalen-1-yl-10-[4-[9-(4-naphthalen-1-ylphenyl)fluoren-9-yl]phenyl]anthracene |
|---|---|
| PubChem CID | 159912544 |
| Molecular Formula | C256H166 |
| Molecular Weight | 3242.14 g/mol |
| Exact Mass | 3239.30 |
| IUPAC Name | 9-[4-[9-(4-anthracen-9-ylphenyl)fluoren-9-yl]phenyl]-10-phenylanthracene;2',7'-bis[3-(9-phenylfluoren-9-yl)phenyl]-9,9'-spirobi[fluorene];9-[4-[2,7-diphenyl-9-(4-phenylphenyl)fluoren-9-yl]phenyl]-10-phenylanthracene;9-naphthalen-1-yl-10-[4-[9-(4-naphthalen-1-ylphenyl)fluoren-9-yl]phenyl]anthracene |
| SMILES | c1ccc(-c2c3ccccc3c(-c3ccc(C4(c5ccc(-c6c7ccccc7cc7ccccc67)cc5)c5ccccc5-c5ccccc54)cc3)c3ccccc23)cc1.c1ccc(-c2ccc(C3(c4ccc(-c5c6ccccc6c(-c6ccccc6)c6ccccc56)cc4)c4cc(-c5ccccc5)ccc4-c4ccc(-c5ccccc5)cc43)cc2)cc1.c1ccc(C2(c3cccc(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4cc(-c6cccc(C7(c8ccccc8)c8ccccc8-c8ccccc87)c6)ccc4-5)c3)c3ccccc3-c3ccccc32)cc1.c1ccc2c(c1)-c1ccccc1C2(c1ccc(-c2cccc3ccccc23)cc1)c1ccc(-c2c3ccccc3c(-c3cccc4ccccc34)c3ccccc23)cc1 |
| InChI | InChI=1S/C75H48.C63H42.2C59H38/c1-3-23-53(24-4-1)73(65-35-13-7-29-57(65)58-30-8-14-36-66(58)73)55-27-19-21-49(45-55)51-41-43-63-64-44-42-52(48-72(64)75(71(63)47-51)69-39-17-11-33-61(69)62-34-12-18-40-70(62)75)50-22-20-28-56(46-50)74(54-25-5-2-6-26-54)67-37-15-9-31-59(67)60-32-10-16-38-68(60)74;1-5-17-43(18-6-1)46-29-35-51(36-30-46)63(59-41-49(44-19-7-2-8-20-44)33-39-53(59)54-40-34-50(42-60(54)63)45-21-9-3-10-22-45)52-37-31-48(32-38-52)62-57-27-15-13-25-55(57)61(47-23-11-4-12-24-47)56-26-14-16-28-58(56)62;1-3-19-45-39(15-1)17-13-27-46(45)41-31-35-43(36-32-41)59(55-29-11-9-21-48(55)49-22-10-12-30-56(49)59)44-37-33-42(34-38-44)57-51-23-5-7-25-53(51)58(54-26-8-6-24-52(54)57)50-28-14-18-40-16-2-4-20-47(40)50;1-2-16-39(17-3-1)57-50-24-8-10-26-52(50)58(53-27-11-9-25-51(53)57)41-32-36-45(37-33-41)59(54-28-14-12-22-48(54)49-23-13-15-29-55(49)59)44-34-30-40(31-35-44)56-46-20-6-4-18-42(46)38-43-19-5-7-21-47(43)56/h1-48H;1-42H;2*1-38H |
| InChIKey | NXJACGOCIBIFPQ-UHFFFAOYSA-N |
| XLogP | 66.11 |
| TPSA | 0.00 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | |
| Rotatable Bonds | 23 |
| Heavy Atoms | 256 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3242.14 |
| LogP ≤ 5 | 66.11 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
| Structural Alerts | {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'} |
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