C232H156 — CID 167546795
7,7-dimethyl-5-(10-phenylanthracen-9-yl)benzo[c]fluorene;7,7-diphenyl-5-(10-phenylanthracen-9-yl)benzo[c]fluorene;9-(2-naphthalen-2-ylphenyl)-10-phenylanthracene;9-(4-naphthalen-1-ylphenyl)-10-phenylanthracene;9-(4-naphthalen-2-ylphenyl)-10-phenylanthracene;9-phenyl-10-(4-phenylnaphthalen-1-yl)anthracene (PubChem CID 167546795) has the molecular formula C232H156 and a molecular weight of 2943.80 g/mol. Its IUPAC name is 7,7-dimethyl-5-(10-phenylanthracen-9-yl)benzo[c]fluorene;7,7-diphenyl-5-(10-phenylanthracen-9-yl)benzo[c]fluorene;9-(2-naphthalen-2-ylphenyl)-10-phenylanthracene;9-(4-naphthalen-1-ylphenyl)-10-phenylanthracene;9-(4-naphthalen-2-ylphenyl)-10-phenylanthracene;9-phenyl-10-(4-phenylnaphthalen-1-yl)anthracene.
| Compound Name | 7,7-dimethyl-5-(10-phenylanthracen-9-yl)benzo[c]fluorene;7,7-diphenyl-5-(10-phenylanthracen-9-yl)benzo[c]fluorene;9-(2-naphthalen-2-ylphenyl)-10-phenylanthracene;9-(4-naphthalen-1-ylphenyl)-10-phenylanthracene;9-(4-naphthalen-2-ylphenyl)-10-phenylanthracene;9-phenyl-10-(4-phenylnaphthalen-1-yl)anthracene |
|---|---|
| PubChem CID | 167546795 |
| Molecular Formula | C232H156 |
| Molecular Weight | 2943.80 g/mol |
| Exact Mass | 2941.22 |
| IUPAC Name | 7,7-dimethyl-5-(10-phenylanthracen-9-yl)benzo[c]fluorene;7,7-diphenyl-5-(10-phenylanthracen-9-yl)benzo[c]fluorene;9-(2-naphthalen-2-ylphenyl)-10-phenylanthracene;9-(4-naphthalen-1-ylphenyl)-10-phenylanthracene;9-(4-naphthalen-2-ylphenyl)-10-phenylanthracene;9-phenyl-10-(4-phenylnaphthalen-1-yl)anthracene |
| SMILES | CC1(C)c2ccccc2-c2c1cc(-c1c3ccccc3c(-c3ccccc3)c3ccccc13)c1ccccc21.c1ccc(-c2c3ccccc3c(-c3cc4c(c5ccccc35)-c3ccccc3C4(c3ccccc3)c3ccccc3)c3ccccc23)cc1.c1ccc(-c2c3ccccc3c(-c3ccc(-c4ccc5ccccc5c4)cc3)c3ccccc23)cc1.c1ccc(-c2c3ccccc3c(-c3ccc(-c4cccc5ccccc45)cc3)c3ccccc23)cc1.c1ccc(-c2c3ccccc3c(-c3ccccc3-c3ccc4ccccc4c3)c3ccccc23)cc1.c1ccc(-c2ccc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)c3ccccc23)cc1 |
| InChI | InChI=1S/C49H32.C39H28.4C36H24/c1-4-18-33(19-5-1)46-38-26-12-14-28-40(38)47(41-29-15-13-27-39(41)46)43-32-45-48(37-25-11-10-24-36(37)43)42-30-16-17-31-44(42)49(45,34-20-6-2-7-21-34)35-22-8-3-9-23-35;1-39(2)34-23-13-12-22-32(34)38-27-17-7-6-16-26(27)33(24-35(38)39)37-30-20-10-8-18-28(30)36(25-14-4-3-5-15-25)29-19-9-11-21-31(29)37;1-3-13-25(14-4-1)27-23-24-34(29-18-8-7-17-28(27)29)36-32-21-11-9-19-30(32)35(26-15-5-2-6-16-26)31-20-10-12-22-33(31)36;1-2-12-27(13-3-1)35-31-16-6-8-18-33(31)36(34-19-9-7-17-32(34)35)28-23-21-26(22-24-28)30-20-10-14-25-11-4-5-15-29(25)30;1-2-11-27(12-3-1)35-31-14-6-8-16-33(31)36(34-17-9-7-15-32(34)35)28-21-18-26(19-22-28)30-23-20-25-10-4-5-13-29(25)24-30;1-2-13-26(14-3-1)35-31-18-8-10-20-33(31)36(34-21-11-9-19-32(34)35)30-17-7-6-16-29(30)28-23-22-25-12-4-5-15-27(25)24-28/h1-32H;3-24H,1-2H3;4*1-24H |
| InChIKey | BWXAOZQSYKEUTH-UHFFFAOYSA-N |
| XLogP | 64.22 |
| TPSA | 0.00 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | |
| Rotatable Bonds | 18 |
| Heavy Atoms | 232 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2943.80 |
| LogP ≤ 5 | 64.22 |
| 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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