C191H136OSi — CID 167624450
9-(4-cyclohexylphenyl)-10-naphthalen-1-ylanthracene;2-(10-naphthalen-2-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran;9-naphthalen-1-yl-10-(4-naphthalen-1-ylphenyl)anthracene;9-naphthalen-1-yl-10-(4-naphthalen-2-ylphenyl)anthracene;trimethyl-[4-[4-(10-phenylanthracen-9-yl)phenyl]phenyl]silane (PubChem CID 167624450) has the molecular formula C191H136OSi and a molecular weight of 2475.27 g/mol. Its IUPAC name is 9-(4-cyclohexylphenyl)-10-naphthalen-1-ylanthracene;2-(10-naphthalen-2-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran;9-naphthalen-1-yl-10-(4-naphthalen-1-ylphenyl)anthracene;9-naphthalen-1-yl-10-(4-naphthalen-2-ylphenyl)anthracene;trimethyl-[4-[4-(10-phenylanthracen-9-yl)phenyl]phenyl]silane.
| Compound Name | 9-(4-cyclohexylphenyl)-10-naphthalen-1-ylanthracene;2-(10-naphthalen-2-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran;9-naphthalen-1-yl-10-(4-naphthalen-1-ylphenyl)anthracene;9-naphthalen-1-yl-10-(4-naphthalen-2-ylphenyl)anthracene;trimethyl-[4-[4-(10-phenylanthracen-9-yl)phenyl]phenyl]silane |
|---|---|
| PubChem CID | 167624450 |
| Molecular Formula | C191H136OSi |
| Molecular Weight | 2475.27 g/mol |
| Exact Mass | 2473.04 |
| IUPAC Name | 9-(4-cyclohexylphenyl)-10-naphthalen-1-ylanthracene;2-(10-naphthalen-2-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran;9-naphthalen-1-yl-10-(4-naphthalen-1-ylphenyl)anthracene;9-naphthalen-1-yl-10-(4-naphthalen-2-ylphenyl)anthracene;trimethyl-[4-[4-(10-phenylanthracen-9-yl)phenyl]phenyl]silane |
| SMILES | C[Si](C)(C)c1ccc(-c2ccc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)cc2)cc1.c1ccc2c(-c3c4ccccc4c(-c4ccc(C5CCCCC5)cc4)c4ccccc34)cccc2c1.c1ccc2c(-c3ccc(-c4c5ccccc5c(-c5cccc6ccccc56)c5ccccc45)cc3)cccc2c1.c1ccc2cc(-c3c4ccccc4c(-c4ccc5oc6cc7ccccc7cc6c5c4)c4ccccc34)ccc2c1.c1ccc2cc(-c3ccc(-c4c5ccccc5c(-c5cccc6ccccc56)c5ccccc45)cc3)ccc2c1 |
| InChI | InChI=1S/C40H24O.2C40H26.C36H30.C35H30Si/c1-2-10-26-21-29(18-17-25(26)9-1)39-31-13-5-7-15-33(31)40(34-16-8-6-14-32(34)39)30-19-20-37-35(23-30)36-22-27-11-3-4-12-28(27)24-38(36)41-37;1-3-15-31-27(11-1)13-9-21-32(31)29-23-25-30(26-24-29)39-35-17-5-7-19-37(35)40(38-20-8-6-18-36(38)39)34-22-10-14-28-12-2-4-16-33(28)34;1-2-12-31-26-32(25-22-27(31)10-1)28-20-23-30(24-21-28)39-35-15-5-7-17-37(35)40(38-18-8-6-16-36(38)39)34-19-9-13-29-11-3-4-14-33(29)34;1-2-11-25(12-3-1)26-21-23-28(24-22-26)35-31-16-6-8-18-33(31)36(34-19-9-7-17-32(34)35)30-20-10-14-27-13-4-5-15-29(27)30;1-36(2,3)29-23-21-26(22-24-29)25-17-19-28(20-18-25)35-32-15-9-7-13-30(32)34(27-11-5-4-6-12-27)31-14-8-10-16-33(31)35/h1-24H;2*1-26H;4-10,13-25H,1-3,11-12H2;4-24H,1-3H3 |
| InChIKey | MXAFZIVQJILTCA-UHFFFAOYSA-N |
| XLogP | 54.20 |
| TPSA | 13.14 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 1 |
| Rotatable Bonds | 15 |
| Heavy Atoms | 193 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2475.27 |
| LogP ≤ 5 | 54.20 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 1 |
| Structural Alerts | {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'} |
|---|