C132H101N11O3 — CID 160942577
5,10-dimethylphenazine;13-methylnaphtho[2,3-c]acridine-5,8,14-trione;7-methyl-12-phenylbenzo[a]phenazine;13-methyl-2-phenyl-2,13-diazapentacyclo[12.8.0.03,12.04,9.016,21]docosa-1(22),3(12),4,6,8,10,14,16,18,20-decaene;14-methyl-9-phenylphenanthro[9,10-b]quinoxaline;5-methyl-10-phenylphenazine (PubChem CID 160942577) has the molecular formula C132H101N11O3 and a molecular weight of 1889.33 g/mol. Its IUPAC name is 5,10-dimethylphenazine;13-methylnaphtho[2,3-c]acridine-5,8,14-trione;7-methyl-12-phenylbenzo[a]phenazine;13-methyl-2-phenyl-2,13-diazapentacyclo[12.8.0.03,12.04,9.016,21]docosa-1(22),3(12),4,6,8,10,14,16,18,20-decaene;14-methyl-9-phenylphenanthro[9,10-b]quinoxaline;5-methyl-10-phenylphenazine.
| Compound Name | 5,10-dimethylphenazine;13-methylnaphtho[2,3-c]acridine-5,8,14-trione;7-methyl-12-phenylbenzo[a]phenazine;13-methyl-2-phenyl-2,13-diazapentacyclo[12.8.0.03,12.04,9.016,21]docosa-1(22),3(12),4,6,8,10,14,16,18,20-decaene;14-methyl-9-phenylphenanthro[9,10-b]quinoxaline;5-methyl-10-phenylphenazine |
|---|---|
| PubChem CID | 160942577 |
| Molecular Formula | C132H101N11O3 |
| Molecular Weight | 1889.33 g/mol |
| Exact Mass | 1887.81 |
| IUPAC Name | 5,10-dimethylphenazine;13-methylnaphtho[2,3-c]acridine-5,8,14-trione;7-methyl-12-phenylbenzo[a]phenazine;13-methyl-2-phenyl-2,13-diazapentacyclo[12.8.0.03,12.04,9.016,21]docosa-1(22),3(12),4,6,8,10,14,16,18,20-decaene;14-methyl-9-phenylphenanthro[9,10-b]quinoxaline;5-methyl-10-phenylphenazine |
| SMILES | CN1c2cc3ccccc3cc2N(c2ccccc2)c2c1ccc1ccccc21.CN1c2ccccc2N(C)c2ccccc21.CN1c2ccccc2N(c2ccccc2)c2c1c1ccccc1c1ccccc21.CN1c2ccccc2N(c2ccccc2)c2c1ccc1ccccc21.CN1c2ccccc2N(c2ccccc2)c2ccccc21.Cn1c2ccccc2c(=O)c2ccc3c(c21)C(=O)c1ccccc1C3=O |
| InChI | InChI=1S/2C27H20N2.C23H18N2.C22H13NO3.C19H16N2.C14H14N2/c1-28-24-17-9-10-18-25(24)29(19-11-3-2-4-12-19)27-23-16-8-6-14-21(23)20-13-5-7-15-22(20)26(27)28;1-28-24-16-15-19-9-7-8-14-23(19)27(24)29(22-12-3-2-4-13-22)26-18-21-11-6-5-10-20(21)17-25(26)28;1-24-20-13-7-8-14-21(20)25(18-10-3-2-4-11-18)23-19-12-6-5-9-17(19)15-16-22(23)24;1-23-17-9-5-4-8-14(17)21(25)16-11-10-15-18(19(16)23)22(26)13-7-3-2-6-12(13)20(15)24;1-20-16-11-5-7-13-18(16)21(15-9-3-2-4-10-15)19-14-8-6-12-17(19)20;1-15-11-7-3-5-9-13(11)16(2)14-10-6-4-8-12(14)15/h2*2-18H,1H3;2-16H,1H3;2-11H,1H3;2-14H,1H3;3-10H,1-2H3 |
| InChIKey | SURQRZPEDRYDPG-UHFFFAOYSA-N |
| XLogP | 33.72 |
| TPSA | 88.54 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 14 |
| Rotatable Bonds | 4 |
| Heavy Atoms | 146 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1889.33 |
| LogP ≤ 5 | 33.72 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 14 |
| Structural Alerts | {'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'} |
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