C170H103N13 — CID 163628288
10-benzo[b]carbazol-5-yl-7-[3-(3-naphthalen-2-ylphenyl)quinoxalin-2-yl]benzo[c]carbazole;10-benzo[c]carbazol-7-yl-7-[3-(3-naphthalen-1-ylphenyl)quinoxalin-2-yl]benzo[c]carbazole;10-benzo[c]carbazol-7-yl-7-[4-(9-phenylcarbazol-4-yl)quinazolin-2-yl]benzo[c]carbazole (PubChem CID 163628288) has the molecular formula C170H103N13 and a molecular weight of 2327.78 g/mol. Its IUPAC name is 10-benzo[b]carbazol-5-yl-7-[3-(3-naphthalen-2-ylphenyl)quinoxalin-2-yl]benzo[c]carbazole;10-benzo[c]carbazol-7-yl-7-[3-(3-naphthalen-1-ylphenyl)quinoxalin-2-yl]benzo[c]carbazole;10-benzo[c]carbazol-7-yl-7-[4-(9-phenylcarbazol-4-yl)quinazolin-2-yl]benzo[c]carbazole.
| Compound Name | 10-benzo[b]carbazol-5-yl-7-[3-(3-naphthalen-2-ylphenyl)quinoxalin-2-yl]benzo[c]carbazole;10-benzo[c]carbazol-7-yl-7-[3-(3-naphthalen-1-ylphenyl)quinoxalin-2-yl]benzo[c]carbazole;10-benzo[c]carbazol-7-yl-7-[4-(9-phenylcarbazol-4-yl)quinazolin-2-yl]benzo[c]carbazole |
|---|---|
| PubChem CID | 163628288 |
| Molecular Formula | C170H103N13 |
| Molecular Weight | 2327.78 g/mol |
| Exact Mass | 2325.85 |
| IUPAC Name | 10-benzo[b]carbazol-5-yl-7-[3-(3-naphthalen-2-ylphenyl)quinoxalin-2-yl]benzo[c]carbazole;10-benzo[c]carbazol-7-yl-7-[3-(3-naphthalen-1-ylphenyl)quinoxalin-2-yl]benzo[c]carbazole;10-benzo[c]carbazol-7-yl-7-[4-(9-phenylcarbazol-4-yl)quinazolin-2-yl]benzo[c]carbazole |
| SMILES | c1cc(-c2ccc3ccccc3c2)cc(-c2nc3ccccc3nc2-n2c3ccc(-n4c5ccccc5c5cc6ccccc6cc54)cc3c3c4ccccc4ccc32)c1.c1cc(-c2nc3ccccc3nc2-n2c3ccc(-n4c5ccccc5c5c6ccccc6ccc54)cc3c3c4ccccc4ccc32)cc(-c2cccc3ccccc23)c1.c1ccc(-n2c3ccccc3c3c(-c4nc(-n5c6ccc(-n7c8ccccc8c8c9ccccc9ccc87)cc6c6c7ccccc7ccc65)nc5ccccc45)cccc32)cc1 |
| InChI | InChI=1S/C58H35N5.2C56H34N4/c1-2-17-38(18-3-1)61-48-26-12-10-23-44(48)56-45(24-14-28-51(56)61)57-42-21-8-11-25-47(42)59-58(60-57)63-50-34-31-39(35-46(50)55-41-20-7-5-16-37(41)30-33-53(55)63)62-49-27-13-9-22-43(49)54-40-19-6-4-15-36(40)29-32-52(54)62;1-4-19-41-35(13-1)16-12-23-42(41)38-17-11-18-39(33-38)55-56(58-48-25-9-8-24-47(48)57-55)60-50-32-29-40(34-46(50)54-44-21-6-3-15-37(44)28-31-52(54)60)59-49-26-10-7-22-45(49)53-43-20-5-2-14-36(43)27-30-51(53)59;1-2-14-37-30-41(25-24-35(37)12-1)38-17-11-18-42(31-38)55-56(58-49-22-9-8-21-48(49)57-55)60-51-29-27-43(34-47(51)54-44-19-6-5-13-36(44)26-28-52(54)60)59-50-23-10-7-20-45(50)46-32-39-15-3-4-16-40(39)33-53(46)59/h1-35H;2*1-34H |
| InChIKey | HTVYVLYJVSYNQC-UHFFFAOYSA-N |
| XLogP | 44.13 |
| TPSA | 111.85 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 13 |
| Rotatable Bonds | 12 |
| Heavy Atoms | 183 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2327.78 |
| LogP ≤ 5 | 44.13 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 13 |