C253H166 — CID 158980436
9-(9,9-diphenylfluoren-2-yl)-10-(2,3,4,5,6-pentadeuteriophenyl)anthracene;9-(9,9-diphenylfluoren-2-yl)-10-(4-phenylphenyl)anthracene;9-(3,5-diphenylphenyl)-10-(4-phenylnaphthalen-1-yl)anthracene;9-(4-naphthalen-2-ylphenyl)-10-[3-naphthalen-1-yl-5-(3-phenylphenyl)phenyl]anthracene;4'-[10-(3-phenylphenyl)anthracen-9-yl]-9,9'-spirobi[fluorene] (PubChem CID 158980436) has the molecular formula C253H166 and a molecular weight of 3211.14 g/mol. Its IUPAC name is 9-(9,9-diphenylfluoren-2-yl)-10-(2,3,4,5,6-pentadeuteriophenyl)anthracene;9-(9,9-diphenylfluoren-2-yl)-10-(4-phenylphenyl)anthracene;9-(3,5-diphenylphenyl)-10-(4-phenylnaphthalen-1-yl)anthracene;9-(4-naphthalen-2-ylphenyl)-10-[3-naphthalen-1-yl-5-(3-phenylphenyl)phenyl]anthracene;4'-[10-(3-phenylphenyl)anthracen-9-yl]-9,9'-spirobi[fluorene].
| Compound Name | 9-(9,9-diphenylfluoren-2-yl)-10-(2,3,4,5,6-pentadeuteriophenyl)anthracene;9-(9,9-diphenylfluoren-2-yl)-10-(4-phenylphenyl)anthracene;9-(3,5-diphenylphenyl)-10-(4-phenylnaphthalen-1-yl)anthracene;9-(4-naphthalen-2-ylphenyl)-10-[3-naphthalen-1-yl-5-(3-phenylphenyl)phenyl]anthracene;4'-[10-(3-phenylphenyl)anthracen-9-yl]-9,9'-spirobi[fluorene] |
|---|---|
| PubChem CID | 158980436 |
| Molecular Formula | C253H166 |
| Molecular Weight | 3211.14 g/mol |
| Exact Mass | 3208.33 |
| IUPAC Name | 9-(9,9-diphenylfluoren-2-yl)-10-(2,3,4,5,6-pentadeuteriophenyl)anthracene;9-(9,9-diphenylfluoren-2-yl)-10-(4-phenylphenyl)anthracene;9-(3,5-diphenylphenyl)-10-(4-phenylnaphthalen-1-yl)anthracene;9-(4-naphthalen-2-ylphenyl)-10-[3-naphthalen-1-yl-5-(3-phenylphenyl)phenyl]anthracene;4'-[10-(3-phenylphenyl)anthracen-9-yl]-9,9'-spirobi[fluorene] |
| SMILES | [2H]c1c([2H])c([2H])c(-c2c3ccccc3c(-c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)c3ccccc23)c([2H])c1[2H].c1ccc(-c2cc(-c3ccccc3)cc(-c3c4ccccc4c(-c4ccc(-c5ccccc5)c5ccccc45)c4ccccc34)c2)cc1.c1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)c4ccccc34)cc2)cc1.c1ccc(-c2cccc(-c3c4ccccc4c(-c4cccc5c4-c4ccccc4C54c5ccccc5-c5ccccc54)c4ccccc34)c2)cc1.c1ccc(-c2cccc(-c3cc(-c4cccc5ccccc45)cc(-c4c5ccccc5c(-c5ccc(-c6ccc7ccccc7c6)cc5)c5ccccc45)c3)c2)cc1 |
| InChI | InChI=1S/C58H38.C51H32.C51H34.C48H32.C45H30/c1-2-14-39(15-3-1)45-20-12-21-46(34-45)48-36-49(52-27-13-19-42-17-6-7-22-51(42)52)38-50(37-48)58-55-25-10-8-23-53(55)57(54-24-9-11-26-56(54)58)43-31-28-41(29-32-43)47-33-30-40-16-4-5-18-44(40)35-47;1-2-16-33(17-3-1)34-18-14-19-35(32-34)48-38-22-4-6-24-40(38)49(41-25-7-5-23-39(41)48)43-27-15-31-47-50(43)42-26-10-13-30-46(42)51(47)44-28-11-8-20-36(44)37-21-9-12-29-45(37)51;1-4-16-35(17-5-1)36-28-30-37(31-29-36)49-43-23-10-12-25-45(43)50(46-26-13-11-24-44(46)49)38-32-33-42-41-22-14-15-27-47(41)51(48(42)34-38,39-18-6-2-7-19-39)40-20-8-3-9-21-40;1-4-16-33(17-5-1)36-30-37(34-18-6-2-7-19-34)32-38(31-36)47-42-24-12-14-26-44(42)48(45-27-15-13-25-43(45)47)46-29-28-39(35-20-8-3-9-21-35)40-22-10-11-23-41(40)46;1-4-16-31(17-5-1)43-37-23-10-12-25-39(37)44(40-26-13-11-24-38(40)43)32-28-29-36-35-22-14-15-27-41(35)45(42(36)30-32,33-18-6-2-7-19-33)34-20-8-3-9-21-34/h1-38H;1-32H;1-34H;1-32H;1-30H/i;;;;1D,4D,5D,16D,17D |
| InChIKey | JOXUVALCIMCANF-JDYGOIJVSA-N |
| XLogP | 68.17 |
| TPSA | 0.00 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | |
| Rotatable Bonds | 23 |
| Heavy Atoms | 253 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3211.14 |
| LogP ≤ 5 | 68.17 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
| Structural Alerts | {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'} |
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