C158H98N12 — CID 159738156
1-carbazol-9-yl-5-[4-(4-naphthalen-2-ylquinazolin-2-yl)naphthalen-1-yl]benzo[b]carbazole;1-carbazol-9-yl-5-[4-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]benzo[b]carbazole;1-carbazol-9-yl-5-[4-(4-phenylquinazolin-2-yl)phenyl]benzo[b]carbazole (PubChem CID 159738156) has the molecular formula C158H98N12 and a molecular weight of 2164.61 g/mol. Its IUPAC name is 1-carbazol-9-yl-5-[4-(4-naphthalen-2-ylquinazolin-2-yl)naphthalen-1-yl]benzo[b]carbazole;1-carbazol-9-yl-5-[4-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]benzo[b]carbazole;1-carbazol-9-yl-5-[4-(4-phenylquinazolin-2-yl)phenyl]benzo[b]carbazole.
| Compound Name | 1-carbazol-9-yl-5-[4-(4-naphthalen-2-ylquinazolin-2-yl)naphthalen-1-yl]benzo[b]carbazole;1-carbazol-9-yl-5-[4-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]benzo[b]carbazole;1-carbazol-9-yl-5-[4-(4-phenylquinazolin-2-yl)phenyl]benzo[b]carbazole |
|---|---|
| PubChem CID | 159738156 |
| Molecular Formula | C158H98N12 |
| Molecular Weight | 2164.61 g/mol |
| Exact Mass | 2162.80 |
| IUPAC Name | 1-carbazol-9-yl-5-[4-(4-naphthalen-2-ylquinazolin-2-yl)naphthalen-1-yl]benzo[b]carbazole;1-carbazol-9-yl-5-[4-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]benzo[b]carbazole;1-carbazol-9-yl-5-[4-(4-phenylquinazolin-2-yl)phenyl]benzo[b]carbazole |
| SMILES | c1ccc(-c2ccc(-c3nc(-c4ccc(-n5c6cc7ccccc7cc6c6c(-n7c8ccccc8c8ccccc87)cccc65)cc4)nc4ccccc34)cc2)cc1.c1ccc(-c2nc(-c3ccc(-n4c5cc6ccccc6cc5c5c(-n6c7ccccc7c7ccccc76)cccc54)cc3)nc3ccccc23)cc1.c1ccc2cc(-c3nc(-c4ccc(-n5c6cc7ccccc7cc6c6c(-n7c8ccccc8c8ccccc87)cccc65)c5ccccc45)nc4ccccc34)ccc2c1 |
| InChI | InChI=1S/C56H34N4.C54H34N4.C48H30N4/c1-2-15-36-32-39(29-28-35(36)14-1)55-45-22-7-10-23-47(45)57-56(58-55)44-30-31-50(41-19-6-5-18-40(41)44)60-52-27-13-26-51(54(52)46-33-37-16-3-4-17-38(37)34-53(46)60)59-48-24-11-8-20-42(48)43-21-9-12-25-49(43)59;1-2-13-35(14-3-1)36-25-27-37(28-26-36)53-44-19-6-9-20-46(44)55-54(56-53)38-29-31-41(32-30-38)57-49-23-12-24-50(52(49)45-33-39-15-4-5-16-40(39)34-51(45)57)58-47-21-10-7-17-42(47)43-18-8-11-22-48(43)58;1-2-13-31(14-3-1)47-38-19-6-9-20-40(38)49-48(50-47)32-25-27-35(28-26-32)51-43-23-12-24-44(46(43)39-29-33-15-4-5-16-34(33)30-45(39)51)52-41-21-10-7-17-36(41)37-18-8-11-22-42(37)52/h1-34H;1-34H;1-30H |
| InChIKey | NCCFKSYJVHWGBT-UHFFFAOYSA-N |
| XLogP | 40.91 |
| TPSA | 106.92 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 12 |
| Rotatable Bonds | 13 |
| Heavy Atoms | 170 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2164.61 |
| LogP ≤ 5 | 40.91 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 12 |