C236H168N8 — CID 158305492
3-butyl-6-(4-carbazol-9-ylphenyl)-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole;3-(4-carbazol-9-ylphenyl)-6-ethyl-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole;3-(4-carbazol-9-ylphenyl)-9-[4-(10-phenylanthracen-9-yl)phenyl]-6-propan-2-ylcarbazole;3-(4-carbazol-9-ylphenyl)-9-[4-(10-phenylanthracen-9-yl)phenyl]-6-propylcarbazole (PubChem CID 158305492) has the molecular formula C236H168N8 and a molecular weight of 3116.00 g/mol. Its IUPAC name is 3-butyl-6-(4-carbazol-9-ylphenyl)-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole;3-(4-carbazol-9-ylphenyl)-6-ethyl-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole;3-(4-carbazol-9-ylphenyl)-9-[4-(10-phenylanthracen-9-yl)phenyl]-6-propan-2-ylcarbazole;3-(4-carbazol-9-ylphenyl)-9-[4-(10-phenylanthracen-9-yl)phenyl]-6-propylcarbazole.
| Compound Name | 3-butyl-6-(4-carbazol-9-ylphenyl)-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole;3-(4-carbazol-9-ylphenyl)-6-ethyl-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole;3-(4-carbazol-9-ylphenyl)-9-[4-(10-phenylanthracen-9-yl)phenyl]-6-propan-2-ylcarbazole;3-(4-carbazol-9-ylphenyl)-9-[4-(10-phenylanthracen-9-yl)phenyl]-6-propylcarbazole |
|---|---|
| PubChem CID | 158305492 |
| Molecular Formula | C236H168N8 |
| Molecular Weight | 3116.00 g/mol |
| Exact Mass | 3113.34 |
| IUPAC Name | 3-butyl-6-(4-carbazol-9-ylphenyl)-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole;3-(4-carbazol-9-ylphenyl)-6-ethyl-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole;3-(4-carbazol-9-ylphenyl)-9-[4-(10-phenylanthracen-9-yl)phenyl]-6-propan-2-ylcarbazole;3-(4-carbazol-9-ylphenyl)-9-[4-(10-phenylanthracen-9-yl)phenyl]-6-propylcarbazole |
| SMILES | CC(C)c1ccc2c(c1)c1cc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)ccc1n2-c1ccc(-c2c3ccccc3c(-c3ccccc3)c3ccccc23)cc1.CCCCc1ccc2c(c1)c1cc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)ccc1n2-c1ccc(-c2c3ccccc3c(-c3ccccc3)c3ccccc23)cc1.CCCc1ccc2c(c1)c1cc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)ccc1n2-c1ccc(-c2c3ccccc3c(-c3ccccc3)c3ccccc23)cc1.CCc1ccc2c(c1)c1cc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)ccc1n2-c1ccc(-c2c3ccccc3c(-c3ccccc3)c3ccccc23)cc1 |
| InChI | InChI=1S/C60H44N2.2C59H42N2.C58H40N2/c1-2-3-15-40-26-36-57-53(38-40)54-39-44(41-27-32-45(33-28-41)61-55-24-13-11-18-47(55)48-19-12-14-25-56(48)61)31-37-58(54)62(57)46-34-29-43(30-35-46)60-51-22-9-7-20-49(51)59(42-16-5-4-6-17-42)50-21-8-10-23-52(50)60;1-38(2)42-28-34-56-52(36-42)53-37-43(39-24-30-44(31-25-39)60-54-22-12-10-16-46(54)47-17-11-13-23-55(47)60)29-35-57(53)61(56)45-32-26-41(27-33-45)59-50-20-8-6-18-48(50)58(40-14-4-3-5-15-40)49-19-7-9-21-51(49)59;1-2-14-39-25-35-56-52(37-39)53-38-43(40-26-31-44(32-27-40)60-54-23-12-10-17-46(54)47-18-11-13-24-55(47)60)30-36-57(53)61(56)45-33-28-42(29-34-45)59-50-21-8-6-19-48(50)58(41-15-4-3-5-16-41)49-20-7-9-22-51(49)59;1-2-38-24-34-55-51(36-38)52-37-42(39-25-30-43(31-26-39)59-53-22-12-10-16-45(53)46-17-11-13-23-54(46)59)29-35-56(52)60(55)44-32-27-41(28-33-44)58-49-20-8-6-18-47(49)57(40-14-4-3-5-15-40)48-19-7-9-21-50(48)58/h4-14,16-39H,2-3,15H2,1H3;3-38H,1-2H3;3-13,15-38H,2,14H2,1H3;3-37H,2H2,1H3 |
| InChIKey | GNANBXUUSGIOER-UHFFFAOYSA-N |
| XLogP | 64.73 |
| TPSA | 39.44 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 8 |
| Rotatable Bonds | 27 |
| Heavy Atoms | 244 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3116.00 |
| LogP ≤ 5 | 64.73 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 8 |
| Structural Alerts | {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'} |
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