C152H104F3N3 — CID 157438800
3-naphthalen-1-yl-9-[4-[10-(5,6,7,8-tetrahydronaphthalen-1-yl)anthracen-9-yl]phenyl]carbazole;3-naphthalen-1-yl-9-[4-[10-[4-(trifluoromethyl)phenyl]anthracen-9-yl]phenyl]carbazole;3-naphthalen-1-yl-9-[4-[10-(2,4,6-trimethylphenyl)anthracen-9-yl]phenyl]carbazole (PubChem CID 157438800) has the molecular formula C152H104F3N3 and a molecular weight of 2029.52 g/mol. Its IUPAC name is 3-naphthalen-1-yl-9-[4-[10-(5,6,7,8-tetrahydronaphthalen-1-yl)anthracen-9-yl]phenyl]carbazole;3-naphthalen-1-yl-9-[4-[10-[4-(trifluoromethyl)phenyl]anthracen-9-yl]phenyl]carbazole;3-naphthalen-1-yl-9-[4-[10-(2,4,6-trimethylphenyl)anthracen-9-yl]phenyl]carbazole.
| Compound Name | 3-naphthalen-1-yl-9-[4-[10-(5,6,7,8-tetrahydronaphthalen-1-yl)anthracen-9-yl]phenyl]carbazole;3-naphthalen-1-yl-9-[4-[10-[4-(trifluoromethyl)phenyl]anthracen-9-yl]phenyl]carbazole;3-naphthalen-1-yl-9-[4-[10-(2,4,6-trimethylphenyl)anthracen-9-yl]phenyl]carbazole |
|---|---|
| PubChem CID | 157438800 |
| Molecular Formula | C152H104F3N3 |
| Molecular Weight | 2029.52 g/mol |
| Exact Mass | 2027.82 |
| IUPAC Name | 3-naphthalen-1-yl-9-[4-[10-(5,6,7,8-tetrahydronaphthalen-1-yl)anthracen-9-yl]phenyl]carbazole;3-naphthalen-1-yl-9-[4-[10-[4-(trifluoromethyl)phenyl]anthracen-9-yl]phenyl]carbazole;3-naphthalen-1-yl-9-[4-[10-(2,4,6-trimethylphenyl)anthracen-9-yl]phenyl]carbazole |
| SMILES | Cc1cc(C)c(-c2c3ccccc3c(-c3ccc(-n4c5ccccc5c5cc(-c6cccc7ccccc67)ccc54)cc3)c3ccccc23)c(C)c1.FC(F)(F)c1ccc(-c2c3ccccc3c(-c3ccc(-n4c5ccccc5c5cc(-c6cccc7ccccc67)ccc54)cc3)c3ccccc23)cc1.c1cc2c(c(-c3c4ccccc4c(-c4ccc(-n5c6ccccc6c6cc(-c7cccc8ccccc78)ccc65)cc4)c4ccccc34)c1)CCCC2 |
| InChI | InChI=1S/C52H37N.C51H37N.C49H30F3N/c1-3-17-39-34(13-1)15-11-24-41(39)37-29-32-50-48(33-37)42-19-9-10-26-49(42)53(50)38-30-27-36(28-31-38)51-44-20-5-7-22-46(44)52(47-23-8-6-21-45(47)51)43-25-12-16-35-14-2-4-18-40(35)43;1-32-29-33(2)49(34(3)30-32)51-44-19-8-6-17-42(44)50(43-18-7-9-20-45(43)51)36-23-26-38(27-24-36)52-47-22-11-10-16-41(47)46-31-37(25-28-48(46)52)40-21-12-14-35-13-4-5-15-39(35)40;50-49(51,52)35-25-20-32(21-26-35)47-40-14-3-5-16-42(40)48(43-17-6-4-15-41(43)47)33-22-27-36(28-23-33)53-45-19-8-7-13-39(45)44-30-34(24-29-46(44)53)38-18-9-11-31-10-1-2-12-37(31)38/h1,3,5-13,15-17,19-33H,2,4,14,18H2;4-31H,1-3H3;1-30H |
| InChIKey | BRKPFMSNWDWFEJ-UHFFFAOYSA-N |
| XLogP | 42.56 |
| TPSA | 14.79 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 3 |
| Rotatable Bonds | 12 |
| Heavy Atoms | 158 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2029.52 |
| LogP ≤ 5 | 42.56 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 3 |
| Structural Alerts | {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'} |
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