C150H90N6 — CID 165014614
4-(9-naphthalen-2-ylcarbazol-4-yl)-9-(3-phenylphenyl)carbazole;4-(9-naphthalen-2-ylcarbazol-4-yl)-9-(4-phenylphenyl)carbazole;9-naphthalen-2-yl-4-(9-naphthalen-2-ylcarbazol-4-yl)carbazole;tetradeca-1,3,5,7,9,11,13-heptayne (PubChem CID 165014614) has the molecular formula C150H90N6 and a molecular weight of 1976.41 g/mol. Its IUPAC name is 4-(9-naphthalen-2-ylcarbazol-4-yl)-9-(3-phenylphenyl)carbazole;4-(9-naphthalen-2-ylcarbazol-4-yl)-9-(4-phenylphenyl)carbazole;9-naphthalen-2-yl-4-(9-naphthalen-2-ylcarbazol-4-yl)carbazole;tetradeca-1,3,5,7,9,11,13-heptayne.
| Compound Name | 4-(9-naphthalen-2-ylcarbazol-4-yl)-9-(3-phenylphenyl)carbazole;4-(9-naphthalen-2-ylcarbazol-4-yl)-9-(4-phenylphenyl)carbazole;9-naphthalen-2-yl-4-(9-naphthalen-2-ylcarbazol-4-yl)carbazole;tetradeca-1,3,5,7,9,11,13-heptayne |
|---|---|
| PubChem CID | 165014614 |
| Molecular Formula | C150H90N6 |
| Molecular Weight | 1976.41 g/mol |
| Exact Mass | 1974.72 |
| IUPAC Name | 4-(9-naphthalen-2-ylcarbazol-4-yl)-9-(3-phenylphenyl)carbazole;4-(9-naphthalen-2-ylcarbazol-4-yl)-9-(4-phenylphenyl)carbazole;9-naphthalen-2-yl-4-(9-naphthalen-2-ylcarbazol-4-yl)carbazole;tetradeca-1,3,5,7,9,11,13-heptayne |
| SMILES | C#CC#CC#CC#CC#CC#CC#C.c1ccc(-c2ccc(-n3c4ccccc4c4c(-c5cccc6c5c5ccccc5n6-c5ccc6ccccc6c5)cccc43)cc2)cc1.c1ccc(-c2cccc(-n3c4ccccc4c4c(-c5cccc6c5c5ccccc5n6-c5ccc6ccccc6c5)cccc43)c2)cc1.c1ccc2cc(-n3c4ccccc4c4c(-c5cccc6c5c5ccccc5n6-c5ccc6ccccc6c5)cccc43)ccc2c1 |
| InChI | InChI=1S/2C46H30N2.C44H28N2.C14H2/c1-2-13-31(14-3-1)34-17-10-18-35(29-34)47-41-23-8-6-19-39(41)45-37(21-11-25-43(45)47)38-22-12-26-44-46(38)40-20-7-9-24-42(40)48(44)36-28-27-32-15-4-5-16-33(32)30-36;1-2-12-31(13-3-1)33-24-27-35(28-25-33)47-41-20-8-6-16-39(41)45-37(18-10-22-43(45)47)38-19-11-23-44-46(38)40-17-7-9-21-42(40)48(44)36-29-26-32-14-4-5-15-34(32)30-36;1-3-13-31-27-33(25-23-29(31)11-1)45-39-19-7-5-15-37(39)43-35(17-9-21-41(43)45)36-18-10-22-42-44(36)38-16-6-8-20-40(38)46(42)34-26-24-30-12-2-4-14-32(30)28-34;1-3-5-7-9-11-13-14-12-10-8-6-4-2/h2*1-30H;1-28H;1-2H |
| InChIKey | KFPRKWKLZNNKAB-UHFFFAOYSA-N |
| XLogP | 36.86 |
| TPSA | 29.58 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 6 |
| Rotatable Bonds | 11 |
| Heavy Atoms | 156 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1976.41 |
| LogP ≤ 5 | 36.86 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 6 |
| Structural Alerts | {'alert_name': 'triple_bond', 'substructure': 'N/A'} |
|---|