C291H188 — CID 161188323
9-(9,9-diphenylfluoren-2-yl)-10-naphthalen-2-ylanthracene;9-naphthalen-2-yl-10-(10-phenanthren-9-ylanthracen-9-yl)anthracene;9-(4-naphthalen-2-ylphenyl)-10-(4-phenylnaphthalen-1-yl)anthracene;2-[4-(10-phenylanthracen-9-yl)phenyl]triphenylene;9-(4-phenylnaphthalen-1-yl)-10-(2-phenylphenyl)anthracene;9-(2-phenylphenyl)-10-[10-[4-(2-phenylphenyl)phenyl]anthracen-9-yl]anthracene (PubChem CID 161188323) has the molecular formula C291H188 and a molecular weight of 3684.70 g/mol. Its IUPAC name is 9-(9,9-diphenylfluoren-2-yl)-10-naphthalen-2-ylanthracene;9-naphthalen-2-yl-10-(10-phenanthren-9-ylanthracen-9-yl)anthracene;9-(4-naphthalen-2-ylphenyl)-10-(4-phenylnaphthalen-1-yl)anthracene;2-[4-(10-phenylanthracen-9-yl)phenyl]triphenylene;9-(4-phenylnaphthalen-1-yl)-10-(2-phenylphenyl)anthracene;9-(2-phenylphenyl)-10-[10-[4-(2-phenylphenyl)phenyl]anthracen-9-yl]anthracene.
| Compound Name | 9-(9,9-diphenylfluoren-2-yl)-10-naphthalen-2-ylanthracene;9-naphthalen-2-yl-10-(10-phenanthren-9-ylanthracen-9-yl)anthracene;9-(4-naphthalen-2-ylphenyl)-10-(4-phenylnaphthalen-1-yl)anthracene;2-[4-(10-phenylanthracen-9-yl)phenyl]triphenylene;9-(4-phenylnaphthalen-1-yl)-10-(2-phenylphenyl)anthracene;9-(2-phenylphenyl)-10-[10-[4-(2-phenylphenyl)phenyl]anthracen-9-yl]anthracene |
|---|---|
| PubChem CID | 161188323 |
| Molecular Formula | C291H188 |
| Molecular Weight | 3684.70 g/mol |
| Exact Mass | 3681.47 |
| IUPAC Name | 9-(9,9-diphenylfluoren-2-yl)-10-naphthalen-2-ylanthracene;9-naphthalen-2-yl-10-(10-phenanthren-9-ylanthracen-9-yl)anthracene;9-(4-naphthalen-2-ylphenyl)-10-(4-phenylnaphthalen-1-yl)anthracene;2-[4-(10-phenylanthracen-9-yl)phenyl]triphenylene;9-(4-phenylnaphthalen-1-yl)-10-(2-phenylphenyl)anthracene;9-(2-phenylphenyl)-10-[10-[4-(2-phenylphenyl)phenyl]anthracen-9-yl]anthracene |
| SMILES | c1ccc(-c2c3ccccc3c(-c3ccc(-c4ccc5c6ccccc6c6ccccc6c5c4)cc3)c3ccccc23)cc1.c1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc(-c5ccc6ccccc6c5)cc4)c4ccccc34)c3ccccc23)cc1.c1ccc(-c2ccccc2-c2c3ccccc3c(-c3ccc(-c4ccccc4)c4ccccc34)c3ccccc23)cc1.c1ccc(-c2ccccc2-c2ccc(-c3c4ccccc4c(-c4c5ccccc5c(-c5ccccc5-c5ccccc5)c5ccccc45)c4ccccc34)cc2)cc1.c1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(-c4c5ccccc5c(-c5ccc6ccccc6c5)c5ccccc45)cc32)cc1.c1ccc2cc(-c3c4ccccc4c(-c4c5ccccc5c(-c5cc6ccccc6c6ccccc56)c5ccccc45)c4ccccc34)ccc2c1 |
| InChI | InChI=1S/C58H38.C52H32.C49H32.C46H30.C44H28.C42H28/c1-3-19-39(20-4-1)43-23-7-8-24-44(43)41-35-37-42(38-36-41)55-47-27-11-15-31-51(47)57(52-32-16-12-28-48(52)55)58-53-33-17-13-29-49(53)56(50-30-14-18-34-54(50)58)46-26-10-9-25-45(46)40-21-5-2-6-22-40;1-2-16-34-31-36(30-29-33(34)15-1)49-40-21-7-11-25-44(40)51(45-26-12-8-22-41(45)49)52-46-27-13-9-23-42(46)50(43-24-10-14-28-47(43)52)48-32-35-17-3-4-18-37(35)38-19-5-6-20-39(38)48;1-3-17-37(18-4-1)49(38-19-5-2-6-20-38)45-26-14-13-21-39(45)40-30-29-36(32-46(40)49)48-43-24-11-9-22-41(43)47(42-23-10-12-25-44(42)48)35-28-27-33-15-7-8-16-34(33)31-35;1-2-13-33(14-3-1)37-28-29-44(39-17-7-6-16-38(37)39)46-42-20-10-8-18-40(42)45(41-19-9-11-21-43(41)46)34-25-22-32(23-26-34)36-27-24-31-12-4-5-15-35(31)30-36;1-2-12-30(13-3-1)43-38-18-8-10-20-40(38)44(41-21-11-9-19-39(41)43)31-24-22-29(23-25-31)32-26-27-37-35-16-5-4-14-33(35)34-15-6-7-17-36(34)42(37)28-32;1-3-15-29(16-4-1)31-19-7-10-22-35(31)41-36-23-11-13-25-38(36)42(39-26-14-12-24-37(39)41)40-28-27-32(30-17-5-2-6-18-30)33-20-8-9-21-34(33)40/h1-38H;1-32H;1-32H;1-30H;1-28H;1-28H |
| InChIKey | UTJNIFHJPNLMGY-UHFFFAOYSA-N |
| XLogP | 81.14 |
| TPSA | 0.00 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | |
| Rotatable Bonds | 24 |
| Heavy Atoms | 291 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3684.70 |
| LogP ≤ 5 | 81.14 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
| Structural Alerts | {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'} |
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