C321H224N2S — CID 158557070
9-[3-carbazol-9-yl-5-(11,11-dimethylbenzo[b]fluoren-2-yl)phenyl]carbazole;4-[3-(11,11-dimethylbenzo[b]fluoren-2-yl)phenyl]dibenzothiophene;5-[6-[3-(11,11-dimethylbenzo[b]fluoren-3-yl)phenyl]naphthalen-2-yl]benzo[c]phenanthrene;11,11-dimethyl-9-(6-naphthalen-2-ylnaphthalen-2-yl)benzo[a]fluorene;11,11-dimethyl-3-naphthalen-1-yl-9-(6-naphthalen-2-ylnaphthalen-2-yl)benzo[a]fluorene;11,11-dimethyl-2-[4-(6-naphthalen-2-ylnaphthalen-2-yl)naphthalen-2-yl]benzo[b]fluorene;11,11-dimethyl-2-[3-(7-phenylnaphthalen-2-yl)naphthalen-1-yl]benzo[b]fluorene (PubChem CID 158557070) has the molecular formula C321H224N2S and a molecular weight of 4141.40 g/mol. Its IUPAC name is 9-[3-carbazol-9-yl-5-(11,11-dimethylbenzo[b]fluoren-2-yl)phenyl]carbazole;4-[3-(11,11-dimethylbenzo[b]fluoren-2-yl)phenyl]dibenzothiophene;5-[6-[3-(11,11-dimethylbenzo[b]fluoren-3-yl)phenyl]naphthalen-2-yl]benzo[c]phenanthrene;11,11-dimethyl-9-(6-naphthalen-2-ylnaphthalen-2-yl)benzo[a]fluorene;11,11-dimethyl-3-naphthalen-1-yl-9-(6-naphthalen-2-ylnaphthalen-2-yl)benzo[a]fluorene;11,11-dimethyl-2-[4-(6-naphthalen-2-ylnaphthalen-2-yl)naphthalen-2-yl]benzo[b]fluorene;11,11-dimethyl-2-[3-(7-phenylnaphthalen-2-yl)naphthalen-1-yl]benzo[b]fluorene.
| Compound Name | 9-[3-carbazol-9-yl-5-(11,11-dimethylbenzo[b]fluoren-2-yl)phenyl]carbazole;4-[3-(11,11-dimethylbenzo[b]fluoren-2-yl)phenyl]dibenzothiophene;5-[6-[3-(11,11-dimethylbenzo[b]fluoren-3-yl)phenyl]naphthalen-2-yl]benzo[c]phenanthrene;11,11-dimethyl-9-(6-naphthalen-2-ylnaphthalen-2-yl)benzo[a]fluorene;11,11-dimethyl-3-naphthalen-1-yl-9-(6-naphthalen-2-ylnaphthalen-2-yl)benzo[a]fluorene;11,11-dimethyl-2-[4-(6-naphthalen-2-ylnaphthalen-2-yl)naphthalen-2-yl]benzo[b]fluorene;11,11-dimethyl-2-[3-(7-phenylnaphthalen-2-yl)naphthalen-1-yl]benzo[b]fluorene |
|---|---|
| PubChem CID | 158557070 |
| Molecular Formula | C321H224N2S |
| Molecular Weight | 4141.40 g/mol |
| Exact Mass | 4137.73 |
| IUPAC Name | 9-[3-carbazol-9-yl-5-(11,11-dimethylbenzo[b]fluoren-2-yl)phenyl]carbazole;4-[3-(11,11-dimethylbenzo[b]fluoren-2-yl)phenyl]dibenzothiophene;5-[6-[3-(11,11-dimethylbenzo[b]fluoren-3-yl)phenyl]naphthalen-2-yl]benzo[c]phenanthrene;11,11-dimethyl-9-(6-naphthalen-2-ylnaphthalen-2-yl)benzo[a]fluorene;11,11-dimethyl-3-naphthalen-1-yl-9-(6-naphthalen-2-ylnaphthalen-2-yl)benzo[a]fluorene;11,11-dimethyl-2-[4-(6-naphthalen-2-ylnaphthalen-2-yl)naphthalen-2-yl]benzo[b]fluorene;11,11-dimethyl-2-[3-(7-phenylnaphthalen-2-yl)naphthalen-1-yl]benzo[b]fluorene |
| SMILES | CC1(C)c2cc(-c3cc(-c4ccc5cc(-c6ccc7ccccc7c6)ccc5c4)c4ccccc4c3)ccc2-c2cc3ccccc3cc21.CC1(C)c2cc(-c3cc(-c4ccc5ccc(-c6ccccc6)cc5c4)cc4ccccc34)ccc2-c2cc3ccccc3cc21.CC1(C)c2cc(-c3cc(-n4c5ccccc5c5ccccc54)cc(-n4c5ccccc5c5ccccc54)c3)ccc2-c2cc3ccccc3cc21.CC1(C)c2cc(-c3ccc4cc(-c5ccc6ccccc6c5)ccc4c3)ccc2-c2ccc3cc(-c4cccc5ccccc45)ccc3c21.CC1(C)c2cc(-c3ccc4cc(-c5ccc6ccccc6c5)ccc4c3)ccc2-c2ccc3ccccc3c21.CC1(C)c2cc(-c3cccc(-c4cccc5c4sc4ccccc45)c3)ccc2-c2cc3ccccc3cc21.CC1(C)c2ccc(-c3cccc(-c4ccc5cc(-c6cc7ccc8ccccc8c7c7ccccc67)ccc5c4)c3)cc2-c2cc3ccccc3cc21 |
| InChI | InChI=1S/C53H36.C49H34N2.2C49H34.C45H32.C39H28.C37H26S/c1-53(2)50-25-24-41(30-48(50)49-29-36-11-3-4-12-37(36)32-51(49)53)35-14-9-13-34(26-35)38-19-20-40-28-42(22-21-39(40)27-38)47-31-43-23-18-33-10-5-6-15-44(33)52(43)46-17-8-7-16-45(46)47;1-49(2)43-29-33(23-24-37(43)42-27-31-13-3-4-14-32(31)28-44(42)49)34-25-35(50-45-19-9-5-15-38(45)39-16-6-10-20-46(39)50)30-36(26-34)51-47-21-11-7-17-40(47)41-18-8-12-22-48(41)51;1-49(2)47-30-39(21-22-44(47)46-27-33-11-5-6-12-34(33)29-48(46)49)42-26-40-13-7-8-14-43(40)45(28-42)41-20-19-37-24-36(17-18-38(37)25-41)35-16-15-31-9-3-4-10-32(31)23-35;1-49(2)47-30-39(38-19-18-36-27-35(16-17-37(36)28-38)34-15-14-31-8-3-4-10-33(31)26-34)20-24-45(47)46-25-22-41-29-40(21-23-44(41)48(46)49)43-13-7-11-32-9-5-6-12-42(32)43;1-45(2)43-28-36(20-21-40(43)42-25-31-12-6-7-13-32(31)27-44(42)45)41-26-38(24-35-14-8-9-15-39(35)41)34-19-17-30-16-18-33(22-37(30)23-34)29-10-4-3-5-11-29;1-39(2)37-24-33(18-19-35(37)36-20-17-26-8-5-6-10-34(26)38(36)39)32-16-15-30-22-29(13-14-31(30)23-32)28-12-11-25-7-3-4-9-27(25)21-28;1-37(2)33-22-26(17-18-29(33)32-20-24-9-3-4-10-25(24)21-34(32)37)23-11-7-12-27(19-23)28-14-8-15-31-30-13-5-6-16-35(30)38-36(28)31/h3-32H,1-2H3;3-30H,1-2H3;2*3-30H,1-2H3;3-28H,1-2H3;3-24H,1-2H3;3-22H,1-2H3 |
| InChIKey | HQKRNBVLFDHENL-UHFFFAOYSA-N |
| XLogP | 89.07 |
| TPSA | 9.86 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 3 |
| Rotatable Bonds | 19 |
| Heavy Atoms | 324 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4141.40 |
| LogP ≤ 5 | 89.07 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 3 |