C271H196 — CID 163496973
11,11-dimethyl-8-[10-(2-phenylphenyl)anthracen-9-yl]benzo[a]fluorene;11,11-dimethyl-9-[10-(2-phenylphenyl)anthracen-9-yl]benzo[a]fluorene;11,11-dimethyl-2-[10-(2-phenylphenyl)anthracen-9-yl]benzo[b]fluorene;11,11-dimethyl-3-[10-(2-phenylphenyl)anthracen-9-yl]benzo[b]fluorene;7,7-dimethyl-9-[10-(2-phenylphenyl)anthracen-9-yl]benzo[c]fluorene;7,7-dimethyl-10-[10-(2-phenylphenyl)anthracen-9-yl]benzo[c]fluorene;methane (PubChem CID 163496973) has the molecular formula C271H196 and a molecular weight of 3452.55 g/mol. Its IUPAC name is 11,11-dimethyl-8-[10-(2-phenylphenyl)anthracen-9-yl]benzo[a]fluorene;11,11-dimethyl-9-[10-(2-phenylphenyl)anthracen-9-yl]benzo[a]fluorene;11,11-dimethyl-2-[10-(2-phenylphenyl)anthracen-9-yl]benzo[b]fluorene;11,11-dimethyl-3-[10-(2-phenylphenyl)anthracen-9-yl]benzo[b]fluorene;7,7-dimethyl-9-[10-(2-phenylphenyl)anthracen-9-yl]benzo[c]fluorene;7,7-dimethyl-10-[10-(2-phenylphenyl)anthracen-9-yl]benzo[c]fluorene;methane.
| Compound Name | 11,11-dimethyl-8-[10-(2-phenylphenyl)anthracen-9-yl]benzo[a]fluorene;11,11-dimethyl-9-[10-(2-phenylphenyl)anthracen-9-yl]benzo[a]fluorene;11,11-dimethyl-2-[10-(2-phenylphenyl)anthracen-9-yl]benzo[b]fluorene;11,11-dimethyl-3-[10-(2-phenylphenyl)anthracen-9-yl]benzo[b]fluorene;7,7-dimethyl-9-[10-(2-phenylphenyl)anthracen-9-yl]benzo[c]fluorene;7,7-dimethyl-10-[10-(2-phenylphenyl)anthracen-9-yl]benzo[c]fluorene;methane |
|---|---|
| PubChem CID | 163496973 |
| Molecular Formula | C271H196 |
| Molecular Weight | 3452.55 g/mol |
| Exact Mass | 3449.53 |
| IUPAC Name | 11,11-dimethyl-8-[10-(2-phenylphenyl)anthracen-9-yl]benzo[a]fluorene;11,11-dimethyl-9-[10-(2-phenylphenyl)anthracen-9-yl]benzo[a]fluorene;11,11-dimethyl-2-[10-(2-phenylphenyl)anthracen-9-yl]benzo[b]fluorene;11,11-dimethyl-3-[10-(2-phenylphenyl)anthracen-9-yl]benzo[b]fluorene;7,7-dimethyl-9-[10-(2-phenylphenyl)anthracen-9-yl]benzo[c]fluorene;7,7-dimethyl-10-[10-(2-phenylphenyl)anthracen-9-yl]benzo[c]fluorene;methane |
| SMILES | C.CC1(C)c2cc(-c3c4ccccc4c(-c4ccccc4-c4ccccc4)c4ccccc34)ccc2-c2c1ccc1ccccc21.CC1(C)c2cc(-c3c4ccccc4c(-c4ccccc4-c4ccccc4)c4ccccc34)ccc2-c2cc3ccccc3cc21.CC1(C)c2cc(-c3c4ccccc4c(-c4ccccc4-c4ccccc4)c4ccccc34)ccc2-c2ccc3ccccc3c21.CC1(C)c2ccc(-c3c4ccccc4c(-c4ccccc4-c4ccccc4)c4ccccc34)cc2-c2c1ccc1ccccc21.CC1(C)c2ccc(-c3c4ccccc4c(-c4ccccc4-c4ccccc4)c4ccccc34)cc2-c2cc3ccccc3cc21.CC1(C)c2ccc(-c3c4ccccc4c(-c4ccccc4-c4ccccc4)c4ccccc34)cc2-c2ccc3ccccc3c21 |
| InChI | InChI=1S/6C45H32.CH4/c1-45(2)41-28-31(25-26-34(41)40-27-24-30-16-6-7-18-33(30)44(40)45)42-36-20-10-12-22-38(36)43(39-23-13-11-21-37(39)42)35-19-9-8-17-32(35)29-14-4-3-5-15-29;1-45(2)40-26-25-31(28-39(40)44-33-18-7-6-16-30(33)24-27-41(44)45)42-35-20-10-12-22-37(35)43(38-23-13-11-21-36(38)42)34-19-9-8-17-32(34)29-14-4-3-5-15-29;1-45(2)40-27-25-30-16-6-7-18-33(30)44(40)39-26-24-31(28-41(39)45)42-35-20-10-12-22-37(35)43(38-23-13-11-21-36(38)42)34-19-9-8-17-32(34)29-14-4-3-5-15-29;1-45(2)41-27-25-31(28-40(41)39-26-24-30-16-6-7-18-33(30)44(39)45)42-35-20-10-12-22-37(35)43(38-23-13-11-21-36(38)42)34-19-9-8-17-32(34)29-14-4-3-5-15-29;1-45(2)41-25-24-32(27-39(41)40-26-30-16-6-7-17-31(30)28-42(40)45)43-35-20-10-12-22-37(35)44(38-23-13-11-21-36(38)43)34-19-9-8-18-33(34)29-14-4-3-5-15-29;1-45(2)41-28-32(24-25-34(41)40-26-30-16-6-7-17-31(30)27-42(40)45)43-36-20-10-12-22-38(36)44(39-23-13-11-21-37(39)43)35-19-9-8-18-33(35)29-14-4-3-5-15-29;/h6*3-28H,1-2H3;1H4 |
| InChIKey | CROAIVYIWVYAAG-UHFFFAOYSA-N |
| XLogP | 75.36 |
| TPSA | 0.00 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | |
| Rotatable Bonds | 18 |
| Heavy Atoms | 271 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3452.55 |
| LogP ≤ 5 | 75.36 |
| 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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