C213H144O — CID 159058585
9-[3-[3-(3-naphthalen-1-ylphenyl)phenyl]phenyl]-10-phenylanthracene;4-[3-[3-(10-phenylanthracen-9-yl)phenyl]phenyl]dibenzofuran;1-[3-(10-phenylanthracen-9-yl)phenyl]pyrene;9-phenyl-10-[3-(3-phenylphenyl)phenyl]anthracene;9-phenyl-10-[3-[4-(2-phenylpropan-2-yl)phenyl]phenyl]anthracene (PubChem CID 159058585) has the molecular formula C213H144O and a molecular weight of 2719.49 g/mol. Its IUPAC name is 9-[3-[3-(3-naphthalen-1-ylphenyl)phenyl]phenyl]-10-phenylanthracene;4-[3-[3-(10-phenylanthracen-9-yl)phenyl]phenyl]dibenzofuran;1-[3-(10-phenylanthracen-9-yl)phenyl]pyrene;9-phenyl-10-[3-(3-phenylphenyl)phenyl]anthracene;9-phenyl-10-[3-[4-(2-phenylpropan-2-yl)phenyl]phenyl]anthracene.
| Compound Name | 9-[3-[3-(3-naphthalen-1-ylphenyl)phenyl]phenyl]-10-phenylanthracene;4-[3-[3-(10-phenylanthracen-9-yl)phenyl]phenyl]dibenzofuran;1-[3-(10-phenylanthracen-9-yl)phenyl]pyrene;9-phenyl-10-[3-(3-phenylphenyl)phenyl]anthracene;9-phenyl-10-[3-[4-(2-phenylpropan-2-yl)phenyl]phenyl]anthracene |
|---|---|
| PubChem CID | 159058585 |
| Molecular Formula | C213H144O |
| Molecular Weight | 2719.49 g/mol |
| Exact Mass | 2717.12 |
| IUPAC Name | 9-[3-[3-(3-naphthalen-1-ylphenyl)phenyl]phenyl]-10-phenylanthracene;4-[3-[3-(10-phenylanthracen-9-yl)phenyl]phenyl]dibenzofuran;1-[3-(10-phenylanthracen-9-yl)phenyl]pyrene;9-phenyl-10-[3-(3-phenylphenyl)phenyl]anthracene;9-phenyl-10-[3-[4-(2-phenylpropan-2-yl)phenyl]phenyl]anthracene |
| SMILES | CC(C)(c1ccccc1)c1ccc(-c2cccc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)c2)cc1.c1ccc(-c2c3ccccc3c(-c3cccc(-c4ccc5ccc6cccc7ccc4c5c67)c3)c3ccccc23)cc1.c1ccc(-c2c3ccccc3c(-c3cccc(-c4cccc(-c5cccc(-c6cccc7ccccc67)c5)c4)c3)c3ccccc23)cc1.c1ccc(-c2c3ccccc3c(-c3cccc(-c4cccc(-c5cccc6c5oc5ccccc56)c4)c3)c3ccccc23)cc1.c1ccc(-c2cccc(-c3cccc(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)c3)c2)cc1 |
| InChI | InChI=1S/C48H32.C44H28O.C42H26.C41H32.C38H26/c1-2-15-34(16-3-1)47-43-25-6-8-27-45(43)48(46-28-9-7-26-44(46)47)40-23-12-21-38(32-40)36-19-10-18-35(30-36)37-20-11-22-39(31-37)42-29-13-17-33-14-4-5-24-41(33)42;1-2-13-29(14-3-1)42-36-20-4-6-22-38(36)43(39-23-7-5-21-37(39)42)33-18-11-16-31(28-33)30-15-10-17-32(27-30)34-24-12-25-40-35-19-8-9-26-41(35)45-44(34)40;1-2-10-27(11-3-1)40-34-16-4-6-18-36(34)41(37-19-7-5-17-35(37)40)32-15-9-14-31(26-32)33-24-22-30-21-20-28-12-8-13-29-23-25-38(33)42(30)39(28)29;1-41(2,33-18-7-4-8-19-33)34-26-24-29(25-27-34)31-16-13-17-32(28-31)40-37-22-11-9-20-35(37)39(30-14-5-3-6-15-30)36-21-10-12-23-38(36)40;1-3-13-27(14-4-1)29-17-11-18-30(25-29)31-19-12-20-32(26-31)38-35-23-9-7-21-33(35)37(28-15-5-2-6-16-28)34-22-8-10-24-36(34)38/h1-32H;1-28H;1-26H;3-28H,1-2H3;1-26H |
| InChIKey | JYEDYCDOMIJVPK-UHFFFAOYSA-N |
| XLogP | 59.91 |
| TPSA | 13.14 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 1 |
| Rotatable Bonds | 21 |
| Heavy Atoms | 214 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2719.49 |
| LogP ≤ 5 | 59.91 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 1 |
| Structural Alerts | {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'} |
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