C92H56N8 — CID 139315614
3-carbazol-9-yl-9-[3-[4-[4-[2-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-4-naphthalen-2-ylquinazolin-7-yl]phenyl]quinazolin-2-yl]phenyl]carbazole (PubChem CID 139315614) has the molecular formula C92H56N8 and a molecular weight of 1273.52 g/mol. Its IUPAC name is 3-carbazol-9-yl-9-[3-[4-[4-[2-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-4-naphthalen-2-ylquinazolin-7-yl]phenyl]quinazolin-2-yl]phenyl]carbazole.
| Compound Name | 3-carbazol-9-yl-9-[3-[4-[4-[2-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-4-naphthalen-2-ylquinazolin-7-yl]phenyl]quinazolin-2-yl]phenyl]carbazole |
|---|---|
| PubChem CID | 139315614 |
| Molecular Formula | C92H56N8 |
| Molecular Weight | 1273.52 g/mol |
| Exact Mass | 1272.46 |
| IUPAC Name | 3-carbazol-9-yl-9-[3-[4-[4-[2-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-4-naphthalen-2-ylquinazolin-7-yl]phenyl]quinazolin-2-yl]phenyl]carbazole |
| SMILES | c1cc(-c2nc(-c3ccc(-c4ccc5c(-c6ccc7ccccc7c6)nc(-c6ccc(-n7c8ccccc8c8cc(-n9c%10ccccc%10c%10ccccc%109)ccc87)cc6)nc5c4)cc3)c3ccccc3n2)cc(-n2c3ccccc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)c1 |
| InChI | InChI=1S/C92H56N8/c1-2-19-61-52-63(41-38-57(61)18-1)90-76-49-44-62(54-80(76)94-91(96-90)60-42-45-65(46-43-60)97-85-34-15-8-26-73(85)77-55-67(47-50-87(77)97)99-81-30-11-4-22-69(81)70-23-5-12-31-82(70)99)58-36-39-59(40-37-58)89-75-28-3-10-29-79(75)93-92(95-89)64-20-17-21-66(53-64)98-86-35-16-9-27-74(86)78-56-68(48-51-88(78)98)100-83-32-13-6-24-71(83)72-25-7-14-33-84(72)100/h1-56H |
| InChIKey | MRZHHPWKBSVTRF-UHFFFAOYSA-N |
| XLogP | 23.45 |
| TPSA | 71.28 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Heavy Atoms | 100 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1273.52 |
| LogP ≤ 5 | 23.45 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 8 |