C269H194 — CID 161365610
9-(9,9-dimethylfluoren-2-yl)-10-[4-(9,9-dimethylfluoren-2-yl)phenyl]anthracene;9-(9,9-dimethylfluoren-2-yl)-10-naphthalen-2-ylanthracene;9-[3-(9,9-dimethylfluoren-2-yl)phenyl]-10-naphthalen-1-ylanthracene;9-[3-(9,9-dimethylfluoren-2-yl)phenyl]-10-naphthalen-2-ylanthracene;9-[4-(9,9-dimethylfluoren-2-yl)phenyl]-10-naphthalen-1-ylanthracene;9-[4-(9,9-dimethylfluoren-2-yl)phenyl]-10-naphthalen-2-ylanthracene (PubChem CID 161365610) has the molecular formula C269H194 and a molecular weight of 3426.51 g/mol. Its IUPAC name is 9-(9,9-dimethylfluoren-2-yl)-10-[4-(9,9-dimethylfluoren-2-yl)phenyl]anthracene;9-(9,9-dimethylfluoren-2-yl)-10-naphthalen-2-ylanthracene;9-[3-(9,9-dimethylfluoren-2-yl)phenyl]-10-naphthalen-1-ylanthracene;9-[3-(9,9-dimethylfluoren-2-yl)phenyl]-10-naphthalen-2-ylanthracene;9-[4-(9,9-dimethylfluoren-2-yl)phenyl]-10-naphthalen-1-ylanthracene;9-[4-(9,9-dimethylfluoren-2-yl)phenyl]-10-naphthalen-2-ylanthracene.
| Compound Name | 9-(9,9-dimethylfluoren-2-yl)-10-[4-(9,9-dimethylfluoren-2-yl)phenyl]anthracene;9-(9,9-dimethylfluoren-2-yl)-10-naphthalen-2-ylanthracene;9-[3-(9,9-dimethylfluoren-2-yl)phenyl]-10-naphthalen-1-ylanthracene;9-[3-(9,9-dimethylfluoren-2-yl)phenyl]-10-naphthalen-2-ylanthracene;9-[4-(9,9-dimethylfluoren-2-yl)phenyl]-10-naphthalen-1-ylanthracene;9-[4-(9,9-dimethylfluoren-2-yl)phenyl]-10-naphthalen-2-ylanthracene |
|---|---|
| PubChem CID | 161365610 |
| Molecular Formula | C269H194 |
| Molecular Weight | 3426.51 g/mol |
| Exact Mass | 3423.52 |
| IUPAC Name | 9-(9,9-dimethylfluoren-2-yl)-10-[4-(9,9-dimethylfluoren-2-yl)phenyl]anthracene;9-(9,9-dimethylfluoren-2-yl)-10-naphthalen-2-ylanthracene;9-[3-(9,9-dimethylfluoren-2-yl)phenyl]-10-naphthalen-1-ylanthracene;9-[3-(9,9-dimethylfluoren-2-yl)phenyl]-10-naphthalen-2-ylanthracene;9-[4-(9,9-dimethylfluoren-2-yl)phenyl]-10-naphthalen-1-ylanthracene;9-[4-(9,9-dimethylfluoren-2-yl)phenyl]-10-naphthalen-2-ylanthracene |
| SMILES | CC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4ccccc34)cc21.CC1(C)c2ccccc2-c2ccc(-c3ccc(-c4c5ccccc5c(-c5ccc6c(c5)C(C)(C)c5ccccc5-6)c5ccccc45)cc3)cc21.CC1(C)c2ccccc2-c2ccc(-c3ccc(-c4c5ccccc5c(-c5ccc6ccccc6c5)c5ccccc45)cc3)cc21.CC1(C)c2ccccc2-c2ccc(-c3ccc(-c4c5ccccc5c(-c5cccc6ccccc56)c5ccccc45)cc3)cc21.CC1(C)c2ccccc2-c2ccc(-c3cccc(-c4c5ccccc5c(-c5ccc6ccccc6c5)c5ccccc45)c3)cc21.CC1(C)c2ccccc2-c2ccc(-c3cccc(-c4c5ccccc5c(-c5cccc6ccccc56)c5ccccc45)c3)cc21 |
| InChI | InChI=1S/C50H38.4C45H32.C39H28/c1-49(2)43-19-11-9-13-35(43)37-27-25-33(29-45(37)49)31-21-23-32(24-22-31)47-39-15-5-7-17-41(39)48(42-18-8-6-16-40(42)47)34-26-28-38-36-14-10-12-20-44(36)50(3,4)46(38)30-34;1-45(2)41-24-10-9-18-34(41)35-26-25-31(28-42(35)45)30-15-11-16-32(27-30)43-37-19-5-7-21-39(37)44(40-22-8-6-20-38(40)43)36-23-12-14-29-13-3-4-17-33(29)36;1-45(2)41-21-10-9-15-34(41)35-27-26-32(28-42(35)45)29-22-24-31(25-23-29)43-37-16-5-7-18-39(37)44(40-19-8-6-17-38(40)43)36-20-11-13-30-12-3-4-14-33(30)36;1-45(2)41-21-10-9-16-35(41)36-25-24-32(28-42(36)45)31-14-11-15-33(27-31)43-37-17-5-7-19-39(37)44(40-20-8-6-18-38(40)43)34-23-22-29-12-3-4-13-30(29)26-34;1-45(2)41-18-10-9-13-35(41)36-26-25-33(28-42(36)45)30-19-22-31(23-20-30)43-37-14-5-7-16-39(37)44(40-17-8-6-15-38(40)43)34-24-21-29-11-3-4-12-32(29)27-34;1-39(2)35-18-10-9-13-29(35)30-22-21-28(24-36(30)39)38-33-16-7-5-14-31(33)37(32-15-6-8-17-34(32)38)27-20-19-25-11-3-4-12-26(25)23-27/h5-30H,1-4H3;4*3-28H,1-2H3;3-24H,1-2H3 |
| InChIKey | VPTRFLJIIBGPNN-UHFFFAOYSA-N |
| XLogP | 74.21 |
| TPSA | 0.00 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | |
| Rotatable Bonds | 17 |
| Heavy Atoms | 269 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3426.51 |
| LogP ≤ 5 | 74.21 |
| 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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