C214H139NO2S2 — CID 161368408
2-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]dibenzofuran;1-[10-(3,5-diphenylphenyl)anthracen-9-yl]dibenzothiophene;4-methyl-6-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzofuran;4-[3-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]dibenzothiophene;9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole (PubChem CID 161368408) has the molecular formula C214H139NO2S2 and a molecular weight of 2820.60 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;4-methyl-6-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzofuran;4-[3-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]dibenzothiophene;9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole.
| Compound Name | 2-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]dibenzofuran;1-[10-(3,5-diphenylphenyl)anthracen-9-yl]dibenzothiophene;4-methyl-6-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzofuran;4-[3-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]dibenzothiophene;9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole |
|---|---|
| PubChem CID | 161368408 |
| Molecular Formula | C214H139NO2S2 |
| Molecular Weight | 2820.60 g/mol |
| Exact Mass | 2818.02 |
| IUPAC Name | 2-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]dibenzofuran;1-[10-(3,5-diphenylphenyl)anthracen-9-yl]dibenzothiophene;4-methyl-6-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzofuran;4-[3-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]dibenzothiophene;9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole |
| SMILES | CC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4ccc5oc6ccccc6c5c4)c4ccccc34)cc21.Cc1cccc2c1oc1c(-c3cccc(-c4c5ccccc5c(-c5ccc6ccccc6c5)c5ccccc45)c3)cccc12.c1cc(-c2ccc3ccccc3c2)cc(-c2c3ccccc3c(-c3cccc(-c4cccc5c4sc4ccccc45)c3)c3ccccc23)c1.c1ccc(-c2c3ccccc3c(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3ccccc23)cc1.c1ccc(-c2cc(-c3ccccc3)cc(-c3c4ccccc4c(-c4cccc5sc6ccccc6c45)c4ccccc34)c2)cc1 |
| InChI | InChI=1S/C48H30S.C44H28S.C43H28O.C41H28O.C38H25N/c1-2-13-32-28-34(27-26-31(32)12-1)33-14-9-16-36(29-33)46-40-19-3-5-21-42(40)47(43-22-6-4-20-41(43)46)37-17-10-15-35(30-37)38-23-11-24-44-39-18-7-8-25-45(39)49-48(38)44;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;1-27-11-8-21-38-39-22-10-20-33(43(39)44-42(27)38)30-14-9-15-31(26-30)40-34-16-4-6-18-36(34)41(37-19-7-5-17-35(37)40)32-24-23-28-12-2-3-13-29(28)25-32;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/h1-30H;1-28H;2-26H,1H3;3-24H,1-2H3;1-25H |
| InChIKey | VQDATPPBOXDHFX-UHFFFAOYSA-N |
| XLogP | 61.52 |
| TPSA | 31.21 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 5 |
| Rotatable Bonds | 16 |
| Heavy Atoms | 219 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2820.60 |
| LogP ≤ 5 | 61.52 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 5 |
| Structural Alerts | {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'} |
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