C195H126 — CID 159639857
9-[3-[3-[9-[3-(3-anthracen-9-ylphenyl)phenyl]fluoren-9-yl]phenyl]phenyl]anthracene;9-[3-[4-[9-[4-(3-anthracen-9-ylphenyl)phenyl]fluoren-9-yl]phenyl]phenyl]anthracene;9-[4-[3-[9-[3-(4-anthracen-9-ylphenyl)phenyl]fluoren-9-yl]phenyl]phenyl]anthracene (PubChem CID 159639857) has the molecular formula C195H126 and a molecular weight of 2469.15 g/mol. Its IUPAC name is 9-[3-[3-[9-[3-(3-anthracen-9-ylphenyl)phenyl]fluoren-9-yl]phenyl]phenyl]anthracene;9-[3-[4-[9-[4-(3-anthracen-9-ylphenyl)phenyl]fluoren-9-yl]phenyl]phenyl]anthracene;9-[4-[3-[9-[3-(4-anthracen-9-ylphenyl)phenyl]fluoren-9-yl]phenyl]phenyl]anthracene.
| Compound Name | 9-[3-[3-[9-[3-(3-anthracen-9-ylphenyl)phenyl]fluoren-9-yl]phenyl]phenyl]anthracene;9-[3-[4-[9-[4-(3-anthracen-9-ylphenyl)phenyl]fluoren-9-yl]phenyl]phenyl]anthracene;9-[4-[3-[9-[3-(4-anthracen-9-ylphenyl)phenyl]fluoren-9-yl]phenyl]phenyl]anthracene |
|---|---|
| PubChem CID | 159639857 |
| Molecular Formula | C195H126 |
| Molecular Weight | 2469.15 g/mol |
| Exact Mass | 2466.99 |
| IUPAC Name | 9-[3-[3-[9-[3-(3-anthracen-9-ylphenyl)phenyl]fluoren-9-yl]phenyl]phenyl]anthracene;9-[3-[4-[9-[4-(3-anthracen-9-ylphenyl)phenyl]fluoren-9-yl]phenyl]phenyl]anthracene;9-[4-[3-[9-[3-(4-anthracen-9-ylphenyl)phenyl]fluoren-9-yl]phenyl]phenyl]anthracene |
| SMILES | c1cc(-c2ccc(-c3c4ccccc4cc4ccccc34)cc2)cc(C2(c3cccc(-c4ccc(-c5c6ccccc6cc6ccccc56)cc4)c3)c3ccccc3-c3ccccc32)c1.c1cc(-c2ccc(C3(c4ccc(-c5cccc(-c6c7ccccc7cc7ccccc67)c5)cc4)c4ccccc4-c4ccccc43)cc2)cc(-c2c3ccccc3cc3ccccc23)c1.c1cc(-c2cccc(C3(c4cccc(-c5cccc(-c6c7ccccc7cc7ccccc67)c5)c4)c4ccccc4-c4ccccc43)c2)cc(-c2c3ccccc3cc3ccccc23)c1 |
| InChI | InChI=1S/3C65H42/c1-5-29-55-47(17-1)39-48-18-2-6-30-56(48)63(55)51-25-13-21-43(37-51)45-23-15-27-53(41-45)65(61-35-11-9-33-59(61)60-34-10-12-36-62(60)65)54-28-16-24-46(42-54)44-22-14-26-52(38-44)64-57-31-7-3-19-49(57)40-50-20-4-8-32-58(50)64;1-5-23-55-49(15-1)39-50-16-2-6-24-56(50)63(55)45-35-31-43(32-36-45)47-19-13-21-53(41-47)65(61-29-11-9-27-59(61)60-28-10-12-30-62(60)65)54-22-14-20-48(42-54)44-33-37-46(38-34-44)64-57-25-7-3-17-51(57)40-52-18-4-8-26-58(52)64;1-5-23-55-47(15-1)41-48-16-2-6-24-56(48)63(55)51-21-13-19-45(39-51)43-31-35-53(36-32-43)65(61-29-11-9-27-59(61)60-28-10-12-30-62(60)65)54-37-33-44(34-38-54)46-20-14-22-52(40-46)64-57-25-7-3-17-49(57)42-50-18-4-8-26-58(50)64/h3*1-42H |
| InChIKey | MQFFKBYGKWSMDK-UHFFFAOYSA-N |
| XLogP | 51.99 |
| TPSA | 0.00 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | |
| Rotatable Bonds | 18 |
| Heavy Atoms | 195 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2469.15 |
| LogP ≤ 5 | 51.99 |
| 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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