C417H265N3O4S3 — CID 157296217
2-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]dibenzofuran;1-[10-(3,5-diphenylphenyl)anthracen-9-yl]dibenzothiophene;2-(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran;2-(10-naphthalen-2-ylanthracen-9-yl)dibenzothiophene;1-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]dibenzofuran;4-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]dibenzofuran;3-(10-phenanthren-9-ylanthracen-9-yl)-9-(3-phenylphenyl)carbazole;9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole;4-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzothiophene;9-phenyl-2-[10-(4-phenylphenyl)anthracen-9-yl]carbazole (PubChem CID 157296217) has the molecular formula C417H265N3O4S3 and a molecular weight of 5477.93 g/mol. Its IUPAC name is 2-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]dibenzofuran;1-[10-(3,5-diphenylphenyl)anthracen-9-yl]dibenzothiophene;2-(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran;2-(10-naphthalen-2-ylanthracen-9-yl)dibenzothiophene;1-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]dibenzofuran;4-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]dibenzofuran;3-(10-phenanthren-9-ylanthracen-9-yl)-9-(3-phenylphenyl)carbazole;9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole;4-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzothiophene;9-phenyl-2-[10-(4-phenylphenyl)anthracen-9-yl]carbazole.
| Compound Name | 2-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]dibenzofuran;1-[10-(3,5-diphenylphenyl)anthracen-9-yl]dibenzothiophene;2-(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran;2-(10-naphthalen-2-ylanthracen-9-yl)dibenzothiophene;1-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]dibenzofuran;4-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]dibenzofuran;3-(10-phenanthren-9-ylanthracen-9-yl)-9-(3-phenylphenyl)carbazole;9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole;4-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzothiophene;9-phenyl-2-[10-(4-phenylphenyl)anthracen-9-yl]carbazole |
|---|---|
| PubChem CID | 157296217 |
| Molecular Formula | C417H265N3O4S3 |
| Molecular Weight | 5477.93 g/mol |
| Exact Mass | 5472.98 |
| IUPAC Name | 2-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]dibenzofuran;1-[10-(3,5-diphenylphenyl)anthracen-9-yl]dibenzothiophene;2-(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran;2-(10-naphthalen-2-ylanthracen-9-yl)dibenzothiophene;1-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]dibenzofuran;4-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]dibenzofuran;3-(10-phenanthren-9-ylanthracen-9-yl)-9-(3-phenylphenyl)carbazole;9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole;4-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzothiophene;9-phenyl-2-[10-(4-phenylphenyl)anthracen-9-yl]carbazole |
| SMILES | CC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4ccc5oc6ccccc6c5c4)c4ccccc34)cc21.c1cc(-c2cccc3ccccc23)cc(-c2c3ccccc3c(-c3cccc4c3oc3ccccc34)c3ccccc23)c1.c1ccc(-c2c3ccccc3c(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3ccccc23)cc1.c1ccc(-c2cc(-c3ccccc3)cc(-c3c4ccccc4c(-c4cccc5sc6ccccc6c45)c4ccccc34)c2)cc1.c1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)c4ccccc34)cc2)cc1.c1ccc(-c2ccc(-c3c4ccccc4c(-c4cccc5c4sc4ccccc45)c4ccccc34)c3ccccc23)cc1.c1ccc(-c2cccc(-n3c4ccccc4c4cc(-c5c6ccccc6c(-c6cc7ccccc7c7ccccc67)c6ccccc56)ccc43)c2)cc1.c1ccc2c(-c3c4ccccc4c(-c4ccc5oc6ccccc6c5c4)c4ccccc34)cccc2c1.c1ccc2c(-c3ccc(-c4c5ccccc5c(-c5cccc6oc7ccccc7c56)c5ccccc45)cc3)cccc2c1.c1ccc2cc(-c3c4ccccc4c(-c4ccc5sc6ccccc6c5c4)c4ccccc34)ccc2c1 |
| InChI | InChI=1S/C52H33N.C44H29N.C44H28S.2C42H26O.C42H26S.C41H28O.C38H25N.C36H22O.C36H22S/c1-2-15-34(16-3-1)35-18-14-19-38(31-35)53-49-28-13-12-23-42(49)47-33-37(29-30-50(47)53)51-43-24-8-10-26-45(43)52(46-27-11-9-25-44(46)51)48-32-36-17-4-5-20-39(36)40-21-6-7-22-41(40)48;1-3-13-30(14-4-1)31-23-25-32(26-24-31)43-37-18-7-9-20-39(37)44(40-21-10-8-19-38(40)43)33-27-28-36-35-17-11-12-22-41(35)45(42(36)29-33)34-15-5-2-6-16-34;1-3-14-29(15-4-1)31-26-32(30-16-5-2-6-17-30)28-33(27-31)42-34-18-7-9-20-36(34)43(37-21-10-8-19-35(37)42)39-23-13-25-41-44(39)38-22-11-12-24-40(38)45-41;1-2-16-30-27(12-1)13-10-22-31(30)28-14-9-15-29(26-28)40-33-18-3-5-20-35(33)41(36-21-6-4-19-34(36)40)38-24-11-23-37-32-17-7-8-25-39(32)43-42(37)38;1-2-13-30-27(11-1)12-9-19-31(30)28-23-25-29(26-24-28)40-32-14-3-5-16-34(32)41(35-17-6-4-15-33(35)40)37-20-10-22-39-42(37)36-18-7-8-21-38(36)43-39;1-2-13-27(14-3-1)28-25-26-36(30-16-5-4-15-29(28)30)40-32-18-6-8-20-34(32)41(35-21-9-7-19-33(35)40)38-23-12-22-37-31-17-10-11-24-39(31)43-42(37)38;1-41(2)35-17-9-7-11-27(35)28-21-19-26(24-36(28)41)40-32-15-5-3-13-30(32)39(31-14-4-6-16-33(31)40)25-20-22-38-34(23-25)29-12-8-10-18-37(29)42-38;1-2-12-26(13-3-1)37-31-16-4-6-18-33(31)38(34-19-7-5-17-32(34)37)27-22-24-28(25-23-27)39-35-20-10-8-14-29(35)30-15-9-11-21-36(30)39;1-2-12-25-23(10-1)11-9-18-27(25)36-30-16-5-3-14-28(30)35(29-15-4-6-17-31(29)36)24-20-21-34-32(22-24)26-13-7-8-19-33(26)37-34;1-2-10-24-21-25(18-17-23(24)9-1)35-28-12-3-5-14-30(28)36(31-15-6-4-13-29(31)35)26-19-20-34-32(22-26)27-11-7-8-16-33(27)37-34/h1-33H;1-29H;1-28H;3*1-26H;3-24H,1-2H3;1-25H;2*1-22H |
| InChIKey | BBJKAGQAEXUFIX-UHFFFAOYSA-N |
| XLogP | 119.31 |
| TPSA | 67.35 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 10 |
| Rotatable Bonds | 30 |
| Heavy Atoms | 427 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 5477.93 |
| LogP ≤ 5 | 119.31 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 10 |