C300H184 — CID 158592384
2-[2-[9-[2-(9,9'-spirobi[fluorene]-2-yl)phenyl]fluoren-9-yl]phenyl]-9,9'-spirobi[fluorene];2-[3-[9-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]fluoren-9-yl]phenyl]-9,9'-spirobi[fluorene];3-[3-[9-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]fluoren-9-yl]phenyl]-9,9'-spirobi[fluorene];3-[4-[9-[4-(9,9'-spirobi[fluorene]-3-yl)phenyl]fluoren-9-yl]phenyl]-9,9'-spirobi[fluorene] (PubChem CID 158592384) has the molecular formula C300H184 and a molecular weight of 3788.77 g/mol. Its IUPAC name is 2-[2-[9-[2-(9,9'-spirobi[fluorene]-2-yl)phenyl]fluoren-9-yl]phenyl]-9,9'-spirobi[fluorene];2-[3-[9-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]fluoren-9-yl]phenyl]-9,9'-spirobi[fluorene];3-[3-[9-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]fluoren-9-yl]phenyl]-9,9'-spirobi[fluorene];3-[4-[9-[4-(9,9'-spirobi[fluorene]-3-yl)phenyl]fluoren-9-yl]phenyl]-9,9'-spirobi[fluorene].
| Compound Name | 2-[2-[9-[2-(9,9'-spirobi[fluorene]-2-yl)phenyl]fluoren-9-yl]phenyl]-9,9'-spirobi[fluorene];2-[3-[9-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]fluoren-9-yl]phenyl]-9,9'-spirobi[fluorene];3-[3-[9-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]fluoren-9-yl]phenyl]-9,9'-spirobi[fluorene];3-[4-[9-[4-(9,9'-spirobi[fluorene]-3-yl)phenyl]fluoren-9-yl]phenyl]-9,9'-spirobi[fluorene] |
|---|---|
| PubChem CID | 158592384 |
| Molecular Formula | C300H184 |
| Molecular Weight | 3788.77 g/mol |
| Exact Mass | 3785.44 |
| IUPAC Name | 2-[2-[9-[2-(9,9'-spirobi[fluorene]-2-yl)phenyl]fluoren-9-yl]phenyl]-9,9'-spirobi[fluorene];2-[3-[9-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]fluoren-9-yl]phenyl]-9,9'-spirobi[fluorene];3-[3-[9-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]fluoren-9-yl]phenyl]-9,9'-spirobi[fluorene];3-[4-[9-[4-(9,9'-spirobi[fluorene]-3-yl)phenyl]fluoren-9-yl]phenyl]-9,9'-spirobi[fluorene] |
| SMILES | c1cc(-c2ccc3c(c2)-c2ccccc2C32c3ccccc3-c3ccccc32)cc(C2(c3cccc(-c4ccc5c(c4)-c4ccccc4C54c5ccccc5-c5ccccc54)c3)c3ccccc3-c3ccccc32)c1.c1cc(-c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)cc(C2(c3cccc(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)c3)c3ccccc3-c3ccccc32)c1.c1ccc(C2(c3ccccc3-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)c3ccccc3-c3ccccc32)c(-c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)c1.c1ccc2c(c1)-c1ccccc1C2(c1ccc(-c2ccc3c(c2)-c2ccccc2C32c3ccccc3-c3ccccc32)cc1)c1ccc(-c2ccc3c(c2)-c2ccccc2C32c3ccccc3-c3ccccc32)cc1 |
| InChI | InChI=1S/4C75H46/c1-11-31-61(49(21-1)47-41-43-59-57-29-9-19-39-69(57)74(71(59)45-47)65-35-15-5-25-53(65)54-26-6-16-36-66(54)74)73(63-33-13-3-23-51(63)52-24-4-14-34-64(52)73)62-32-12-2-22-50(62)48-42-44-60-58-30-10-20-40-70(58)75(72(60)46-48)67-37-17-7-27-55(67)56-28-8-18-38-68(56)75;1-9-31-63-53(23-1)54-24-2-10-32-64(54)73(63,51-21-17-19-47(43-51)49-39-41-71-61(45-49)59-29-7-15-37-69(59)74(71)65-33-11-3-25-55(65)56-26-4-12-34-66(56)74)52-22-18-20-48(44-52)50-40-42-72-62(46-50)60-30-8-16-38-70(60)75(72)67-35-13-5-27-57(67)58-28-6-14-36-68(58)75;1-9-31-63-53(23-1)54-24-2-10-32-64(54)73(63,51-21-17-19-47(43-51)49-39-41-61-59-29-7-15-37-69(59)74(71(61)45-49)65-33-11-3-25-55(65)56-26-4-12-34-66(56)74)52-22-18-20-48(44-52)50-40-42-62-60-30-8-16-38-70(60)75(72(62)46-50)67-35-13-5-27-57(67)58-28-6-14-36-68(58)75;1-9-25-63-53(17-1)54-18-2-10-26-64(54)73(63,51-39-33-47(34-40-51)49-37-43-71-61(45-49)59-23-7-15-31-69(59)74(71)65-27-11-3-19-55(65)56-20-4-12-28-66(56)74)52-41-35-48(36-42-52)50-38-44-72-62(46-50)60-24-8-16-32-70(60)75(72)67-29-13-5-21-57(67)58-22-6-14-30-68(58)75/h4*1-46H |
| InChIKey | HUPIDLBRLCDNJX-UHFFFAOYSA-N |
| XLogP | 72.28 |
| TPSA | 0.00 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | |
| Rotatable Bonds | 16 |
| Heavy Atoms | 300 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3788.77 |
| LogP ≤ 5 | 72.28 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |