C474H306N16 — CID 162009433
2,4-diphenylpyrimidine;2,4-diphenyl-6-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]pyridine;2,4-diphenyl-6-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]pyridine;2,6-diphenyl-4-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]pyridine;2,6-diphenyl-4-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]pyridine;2,4-diphenyl-6-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]pyrimidine;2,4-diphenyl-6-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]pyrimidine;4,6-diphenyl-2-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]pyrimidine;4,6-diphenyl-2-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]pyrimidine;4,6-diphenyl-2-[4-(9,9'-spirobi[fluorene]-3-yl)phenyl]pyrimidine;3-phenyl-9,9'-spirobi[fluorene] (PubChem CID 162009433) has the molecular formula C474H306N16 and a molecular weight of 6225.77 g/mol. Its IUPAC name is 2,4-diphenylpyrimidine;2,4-diphenyl-6-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]pyridine;2,4-diphenyl-6-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]pyridine;2,6-diphenyl-4-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]pyridine;2,6-diphenyl-4-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]pyridine;2,4-diphenyl-6-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]pyrimidine;2,4-diphenyl-6-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]pyrimidine;4,6-diphenyl-2-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]pyrimidine;4,6-diphenyl-2-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]pyrimidine;4,6-diphenyl-2-[4-(9,9'-spirobi[fluorene]-3-yl)phenyl]pyrimidine;3-phenyl-9,9'-spirobi[fluorene].
| Compound Name | 2,4-diphenylpyrimidine;2,4-diphenyl-6-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]pyridine;2,4-diphenyl-6-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]pyridine;2,6-diphenyl-4-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]pyridine;2,6-diphenyl-4-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]pyridine;2,4-diphenyl-6-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]pyrimidine;2,4-diphenyl-6-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]pyrimidine;4,6-diphenyl-2-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]pyrimidine;4,6-diphenyl-2-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]pyrimidine;4,6-diphenyl-2-[4-(9,9'-spirobi[fluorene]-3-yl)phenyl]pyrimidine;3-phenyl-9,9'-spirobi[fluorene] |
|---|---|
| PubChem CID | 162009433 |
| Molecular Formula | C474H306N16 |
| Molecular Weight | 6225.77 g/mol |
| Exact Mass | 6220.44 |
| IUPAC Name | 2,4-diphenylpyrimidine;2,4-diphenyl-6-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]pyridine;2,4-diphenyl-6-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]pyridine;2,6-diphenyl-4-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]pyridine;2,6-diphenyl-4-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]pyridine;2,4-diphenyl-6-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]pyrimidine;2,4-diphenyl-6-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]pyrimidine;4,6-diphenyl-2-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]pyrimidine;4,6-diphenyl-2-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]pyrimidine;4,6-diphenyl-2-[4-(9,9'-spirobi[fluorene]-3-yl)phenyl]pyrimidine;3-phenyl-9,9'-spirobi[fluorene] |
| SMILES | c1ccc(-c2cc(-c3ccc(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)cc3)cc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccc(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)cc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3cccc(-c4ccc5c(c4)-c4ccccc4C54c5ccccc5-c5ccccc54)c3)cc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3cccc(-c4ccc5c(c4)-c4ccccc4C54c5ccccc5-c5ccccc54)c3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4ccc5c(c4)-c4ccccc4C54c5ccccc5-c5ccccc54)cc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)cc3)c2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)cc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-c4ccc5c(c4)-c4ccccc4C54c5ccccc5-c5ccccc54)c3)c2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-c4ccc5c(c4)-c4ccccc4C54c5ccccc5-c5ccccc54)c3)n2)cc1.c1ccc(-c2ccc3c(c2)-c2ccccc2C32c3ccccc3-c3ccccc32)cc1.c1ccc(-c2ccnc(-c3ccccc3)n2)cc1 |
| InChI | InChI=1S/4C48H31N.5C47H30N2.C31H20.C16H12N2/c1-3-14-32(15-4-1)37-30-46(33-16-5-2-6-17-33)49-47(31-37)36-19-13-18-34(28-36)35-26-27-45-41(29-35)40-22-9-12-25-44(40)48(45)42-23-10-7-20-38(42)39-21-8-11-24-43(39)48;1-3-14-32(15-4-1)46-30-37(31-47(49-46)33-16-5-2-6-17-33)35-19-13-18-34(28-35)36-26-27-45-41(29-36)40-22-9-12-25-44(40)48(45)42-23-10-7-20-38(42)39-21-8-11-24-43(39)48;1-3-13-34(14-4-1)46-30-37(31-47(49-46)35-15-5-2-6-16-35)33-25-23-32(24-26-33)36-27-28-41-40-19-9-12-22-44(40)48(45(41)29-36)42-20-10-7-17-38(42)39-18-8-11-21-43(39)48;1-3-13-32(14-4-1)37-30-46(34-15-5-2-6-16-34)49-47(31-37)35-25-23-33(24-26-35)36-27-28-41-40-19-9-12-22-44(40)48(45(41)29-36)42-20-10-7-17-38(42)39-18-8-11-21-43(39)48;1-3-14-31(15-4-1)44-30-45(49-46(48-44)32-16-5-2-6-17-32)35-19-13-18-33(28-35)34-26-27-43-39(29-34)38-22-9-12-25-42(38)47(43)40-23-10-7-20-36(40)37-21-8-11-24-41(37)47;1-3-14-31(15-4-1)44-30-45(32-16-5-2-6-17-32)49-46(48-44)35-19-13-18-33(28-35)34-26-27-43-39(29-34)38-22-9-12-25-42(38)47(43)40-23-10-7-20-36(40)37-21-8-11-24-41(37)47;1-3-13-32(14-4-1)44-30-45(49-46(48-44)34-15-5-2-6-16-34)33-25-23-31(24-26-33)35-27-28-39-38-19-9-12-22-42(38)47(43(39)29-35)40-20-10-7-17-36(40)37-18-8-11-21-41(37)47;1-3-13-32(14-4-1)44-30-45(33-15-5-2-6-16-33)49-46(48-44)34-25-23-31(24-26-34)35-27-28-43-39(29-35)38-19-9-12-22-42(38)47(43)40-20-10-7-17-36(40)37-18-8-11-21-41(37)47;1-3-13-32(14-4-1)44-30-45(33-15-5-2-6-16-33)49-46(48-44)34-25-23-31(24-26-34)35-27-28-39-38-19-9-12-22-42(38)47(43(39)29-35)40-20-10-7-17-36(40)37-18-8-11-21-41(37)47;1-2-10-21(11-3-1)22-18-19-30-26(20-22)25-14-6-9-17-29(25)31(30)27-15-7-4-12-23(27)24-13-5-8-16-28(24)31;1-3-7-13(8-4-1)15-11-12-17-16(18-15)14-9-5-2-6-10-14/h4*1-31H;5*1-30H;1-20H;1-12H |
| InChIKey | YTGSLBSAWMHGFF-UHFFFAOYSA-N |
| XLogP | 117.32 |
| TPSA | 206.24 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 16 |
| Rotatable Bonds | 39 |
| Heavy Atoms | 490 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 6225.77 |
| LogP ≤ 5 | 117.32 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 16 |