C173H108N2 — CID 158410125
9-(3-carbazol-9-yl-5-triphenylen-2-ylphenyl)carbazole;2-[3-(9H-fluoren-1-yl)phenyl]triphenylene;3-[4-(6-naphthalen-2-ylnaphthalen-2-yl)naphthalen-2-yl]fluoranthene;3-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]fluoranthene (PubChem CID 158410125) has the molecular formula C173H108N2 and a molecular weight of 2214.78 g/mol. Its IUPAC name is 9-(3-carbazol-9-yl-5-triphenylen-2-ylphenyl)carbazole;2-[3-(9H-fluoren-1-yl)phenyl]triphenylene;3-[4-(6-naphthalen-2-ylnaphthalen-2-yl)naphthalen-2-yl]fluoranthene;3-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]fluoranthene.
| Compound Name | 9-(3-carbazol-9-yl-5-triphenylen-2-ylphenyl)carbazole;2-[3-(9H-fluoren-1-yl)phenyl]triphenylene;3-[4-(6-naphthalen-2-ylnaphthalen-2-yl)naphthalen-2-yl]fluoranthene;3-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]fluoranthene |
|---|---|
| PubChem CID | 158410125 |
| Molecular Formula | C173H108N2 |
| Molecular Weight | 2214.78 g/mol |
| Exact Mass | 2212.85 |
| IUPAC Name | 9-(3-carbazol-9-yl-5-triphenylen-2-ylphenyl)carbazole;2-[3-(9H-fluoren-1-yl)phenyl]triphenylene;3-[4-(6-naphthalen-2-ylnaphthalen-2-yl)naphthalen-2-yl]fluoranthene;3-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]fluoranthene |
| SMILES | c1cc(-c2ccc3c4ccccc4c4ccccc4c3c2)cc(-c2cccc3c2Cc2ccccc2-3)c1.c1cc(-c2ccc3cc(-c4ccc5ccccc5c4)ccc3c2)cc(-c2ccc3c4c(cccc24)-c2ccccc2-3)c1.c1ccc2c(c1)-c1cccc3c(-c4cc(-c5ccc6cc(-c7ccc8ccccc8c7)ccc6c5)c5ccccc5c4)ccc-2c13.c1ccc2c(c1)c1ccccc1c1cc(-c3cc(-n4c5ccccc5c5ccccc54)cc(-n4c5ccccc5c5ccccc54)c3)ccc21 |
| InChI | InChI=1S/C48H30N2.C46H28.C42H26.C37H24/c1-2-15-37-35(13-1)36-14-3-4-16-38(36)44-29-31(25-26-39(37)44)32-27-33(49-45-21-9-5-17-40(45)41-18-6-10-22-46(41)49)30-34(28-32)50-47-23-11-7-19-42(47)43-20-8-12-24-48(43)50;1-2-9-30-24-31(17-16-29(30)8-1)32-18-19-34-26-36(21-20-33(34)25-32)45-28-37(27-35-10-3-4-11-38(35)45)39-22-23-44-41-13-6-5-12-40(41)43-15-7-14-42(39)46(43)44;1-2-8-28-23-31(16-15-27(28)7-1)33-20-19-32-24-30(17-18-34(32)25-33)29-9-5-10-35(26-29)36-21-22-41-38-12-4-3-11-37(38)40-14-6-13-39(36)42(40)41;1-2-12-28-27(9-1)23-36-29(17-8-18-30(28)36)26-11-7-10-24(21-26)25-19-20-35-33-15-4-3-13-31(33)32-14-5-6-16-34(32)37(35)22-25/h1-30H;1-28H;1-26H;1-22H,23H2 |
| InChIKey | GZEYTBHFVMMIEM-UHFFFAOYSA-N |
| XLogP | 47.80 |
| TPSA | 9.86 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 2 |
| Rotatable Bonds | 11 |
| Heavy Atoms | 175 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2214.78 |
| LogP ≤ 5 | 47.80 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |
| Structural Alerts | {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'} |
|---|