C401H264 — CID 157305530
2-(9,9-dimethylfluoren-2-yl)-9,10-dinaphthalen-1-ylanthracene;2-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,10-dinaphthalen-1-ylanthracene;2-(9,9-dimethyl-7-phenylfluoren-2-yl)-9,10-dinaphthalen-1-ylanthracene;9,10-dinaphthalen-1-yl-2-(4-naphthalen-1-ylphenyl)anthracene;9,10-dinaphthalen-1-yl-2-(2,3,4,5,6-pentadeuteriophenyl)anthracene;9,10-dinaphthalen-1-yl-2-phenanthren-9-ylanthracene;9,10-dinaphthalen-1-yl-2-(10-phenylanthracen-9-yl)anthracene;9,10-dinaphthalen-1-yl-2-(4-phenylnaphthalen-1-yl)anthracene (PubChem CID 157305530) has the molecular formula C401H264 and a molecular weight of 5087.55 g/mol. Its IUPAC name is 2-(9,9-dimethylfluoren-2-yl)-9,10-dinaphthalen-1-ylanthracene;2-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,10-dinaphthalen-1-ylanthracene;2-(9,9-dimethyl-7-phenylfluoren-2-yl)-9,10-dinaphthalen-1-ylanthracene;9,10-dinaphthalen-1-yl-2-(4-naphthalen-1-ylphenyl)anthracene;9,10-dinaphthalen-1-yl-2-(2,3,4,5,6-pentadeuteriophenyl)anthracene;9,10-dinaphthalen-1-yl-2-phenanthren-9-ylanthracene;9,10-dinaphthalen-1-yl-2-(10-phenylanthracen-9-yl)anthracene;9,10-dinaphthalen-1-yl-2-(4-phenylnaphthalen-1-yl)anthracene.
| Compound Name | 2-(9,9-dimethylfluoren-2-yl)-9,10-dinaphthalen-1-ylanthracene;2-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,10-dinaphthalen-1-ylanthracene;2-(9,9-dimethyl-7-phenylfluoren-2-yl)-9,10-dinaphthalen-1-ylanthracene;9,10-dinaphthalen-1-yl-2-(4-naphthalen-1-ylphenyl)anthracene;9,10-dinaphthalen-1-yl-2-(2,3,4,5,6-pentadeuteriophenyl)anthracene;9,10-dinaphthalen-1-yl-2-phenanthren-9-ylanthracene;9,10-dinaphthalen-1-yl-2-(10-phenylanthracen-9-yl)anthracene;9,10-dinaphthalen-1-yl-2-(4-phenylnaphthalen-1-yl)anthracene |
|---|---|
| PubChem CID | 157305530 |
| Molecular Formula | C401H264 |
| Molecular Weight | 5087.55 g/mol |
| Exact Mass | 5083.10 |
| IUPAC Name | 2-(9,9-dimethylfluoren-2-yl)-9,10-dinaphthalen-1-ylanthracene;2-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,10-dinaphthalen-1-ylanthracene;2-(9,9-dimethyl-7-phenylfluoren-2-yl)-9,10-dinaphthalen-1-ylanthracene;9,10-dinaphthalen-1-yl-2-(4-naphthalen-1-ylphenyl)anthracene;9,10-dinaphthalen-1-yl-2-(2,3,4,5,6-pentadeuteriophenyl)anthracene;9,10-dinaphthalen-1-yl-2-phenanthren-9-ylanthracene;9,10-dinaphthalen-1-yl-2-(10-phenylanthracen-9-yl)anthracene;9,10-dinaphthalen-1-yl-2-(4-phenylnaphthalen-1-yl)anthracene |
| SMILES | CC1(C)c2cc(-c3ccccc3)ccc2-c2ccc(-c3ccc4c(-c5cccc6ccccc56)c5ccccc5c(-c5cccc6ccccc56)c4c3)cc21.CC1(C)c2ccccc2-c2ccc(-c3ccc(-c4ccc5c(-c6cccc7ccccc67)c6ccccc6c(-c6cccc7ccccc67)c5c4)cc3)cc21.CC1(C)c2ccccc2-c2ccc(-c3ccc4c(-c5cccc6ccccc56)c5ccccc5c(-c5cccc6ccccc56)c4c3)cc21.[2H]c1c([2H])c([2H])c(-c2ccc3c(-c4cccc5ccccc45)c4ccccc4c(-c4cccc5ccccc45)c3c2)c([2H])c1[2H].c1ccc(-c2c3ccccc3c(-c3ccc4c(-c5cccc6ccccc56)c5ccccc5c(-c5cccc6ccccc56)c4c3)c3ccccc23)cc1.c1ccc(-c2ccc(-c3ccc4c(-c5cccc6ccccc56)c5ccccc5c(-c5cccc6ccccc56)c4c3)c3ccccc23)cc1.c1ccc2c(-c3c4ccccc4c(-c4cccc5ccccc45)c4cc(-c5cc6ccccc6c6ccccc56)ccc34)cccc2c1.c1ccc2c(-c3ccc(-c4ccc5c(-c6cccc7ccccc67)c6ccccc6c(-c6cccc7ccccc67)c5c4)cc3)cccc2c1 |
| InChI | InChI=1S/2C55H38.C54H34.2C50H32.C49H34.C48H30.C40H26/c1-55(2)51-24-10-9-19-43(51)44-31-29-40(34-52(44)55)36-27-25-35(26-28-36)39-30-32-49-50(33-39)54(46-23-12-16-38-14-4-6-18-42(38)46)48-21-8-7-20-47(48)53(49)45-22-11-15-37-13-3-5-17-41(37)45;1-55(2)51-33-39(35-14-4-3-5-15-35)26-29-43(51)44-30-27-40(34-52(44)55)38-28-31-49-50(32-38)54(46-25-13-19-37-17-7-9-21-42(37)46)48-23-11-10-22-47(48)53(49)45-24-12-18-36-16-6-8-20-41(36)45;1-2-18-37(19-3-1)51-43-24-8-10-26-45(43)52(46-27-11-9-25-44(46)51)38-32-33-49-50(34-38)54(42-31-15-21-36-17-5-7-23-40(36)42)48-29-13-12-28-47(48)53(49)41-30-14-20-35-16-4-6-22-39(35)41;1-4-18-39-34(12-1)15-9-23-40(39)37-28-26-33(27-29-37)38-30-31-47-48(32-38)50(44-25-11-17-36-14-3-6-20-42(36)44)46-22-8-7-21-45(46)49(47)43-24-10-16-35-13-2-5-19-41(35)43;1-2-14-33(15-3-1)39-30-31-40(42-23-9-8-22-41(39)42)36-28-29-47-48(32-36)50(44-27-13-19-35-17-5-7-21-38(35)44)46-25-11-10-24-45(46)49(47)43-26-12-18-34-16-4-6-20-37(34)43;1-49(2)45-24-10-9-19-37(45)38-27-25-34(30-46(38)49)33-26-28-43-44(29-33)48(40-23-12-16-32-14-4-6-18-36(32)40)42-21-8-7-20-41(42)47(43)39-22-11-15-31-13-3-5-17-35(31)39;1-4-18-35-31(13-1)16-11-25-40(35)47-42-23-9-10-24-43(42)48(41-26-12-17-32-14-2-5-19-36(32)41)46-30-34(27-28-44(46)47)45-29-33-15-3-6-20-37(33)38-21-7-8-22-39(38)45;1-2-12-27(13-3-1)30-24-25-37-38(26-30)40(34-23-11-17-29-15-5-7-19-32(29)34)36-21-9-8-20-35(36)39(37)33-22-10-16-28-14-4-6-18-31(28)33/h2*3-34H,1-2H3;1-34H;2*1-32H;3-30H,1-2H3;1-30H;1-26H/i;;;;;;;1D,2D,3D,12D,13D |
| InChIKey | BCKOEXROENZBKQ-LFCDIPOGSA-N |
| XLogP | 112.58 |
| TPSA | 0.00 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | |
| Rotatable Bonds | 29 |
| Heavy Atoms | 401 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 5087.55 |
| LogP ≤ 5 | 112.58 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |