C156H98N14O — CID 157203767
N-(4-carbazol-9-ylphenyl)-N,10-diphenylphenanthro[9,10-b]pyrazin-7-amine;7-(2-carbazol-9-yl-10-phenylphenazin-5-yl)-10-phenylphenanthro[9,10-b]pyrazine;3,7-di(carbazol-9-yl)-10-(10-phenylphenanthro[9,10-b]pyrazin-7-yl)phenoxazine (PubChem CID 157203767) has the molecular formula C156H98N14O and a molecular weight of 2184.60 g/mol. Its IUPAC name is N-(4-carbazol-9-ylphenyl)-N,10-diphenylphenanthro[9,10-b]pyrazin-7-amine;7-(2-carbazol-9-yl-10-phenylphenazin-5-yl)-10-phenylphenanthro[9,10-b]pyrazine;3,7-di(carbazol-9-yl)-10-(10-phenylphenanthro[9,10-b]pyrazin-7-yl)phenoxazine.
| Compound Name | N-(4-carbazol-9-ylphenyl)-N,10-diphenylphenanthro[9,10-b]pyrazin-7-amine;7-(2-carbazol-9-yl-10-phenylphenazin-5-yl)-10-phenylphenanthro[9,10-b]pyrazine;3,7-di(carbazol-9-yl)-10-(10-phenylphenanthro[9,10-b]pyrazin-7-yl)phenoxazine |
|---|---|
| PubChem CID | 157203767 |
| Molecular Formula | C156H98N14O |
| Molecular Weight | 2184.60 g/mol |
| Exact Mass | 2182.80 |
| IUPAC Name | N-(4-carbazol-9-ylphenyl)-N,10-diphenylphenanthro[9,10-b]pyrazin-7-amine;7-(2-carbazol-9-yl-10-phenylphenazin-5-yl)-10-phenylphenanthro[9,10-b]pyrazine;3,7-di(carbazol-9-yl)-10-(10-phenylphenanthro[9,10-b]pyrazin-7-yl)phenoxazine |
| SMILES | c1ccc(-c2ccc3c(c2)c2cc(N(c4ccccc4)c4ccc(-n5c6ccccc6c6ccccc65)cc4)ccc2c2nccnc32)cc1.c1ccc(-c2ccc3c(c2)c2cc(N4c5ccc(-n6c7ccccc7c7ccccc76)cc5Oc5cc(-n6c7ccccc7c7ccccc76)ccc54)ccc2c2nccnc32)cc1.c1ccc(-c2ccc3c(c2)c2cc(N4c5ccccc5N(c5ccccc5)c5cc(-n6c7ccccc7c7ccccc76)ccc54)ccc2c2nccnc32)cc1 |
| InChI | InChI=1S/C58H35N5O.C52H33N5.C46H30N4/c1-2-12-36(13-3-1)37-22-26-45-47(32-37)48-33-38(23-27-46(48)58-57(45)59-30-31-60-58)63-53-28-24-39(61-49-18-8-4-14-41(49)42-15-5-9-19-50(42)61)34-55(53)64-56-35-40(25-29-54(56)63)62-51-20-10-6-16-43(51)44-17-7-11-21-52(44)62;1-3-13-34(14-4-1)35-23-26-41-43(31-35)44-32-37(24-27-42(44)52-51(41)53-29-30-54-52)57-48-22-12-11-21-47(48)55(36-15-5-2-6-16-36)50-33-38(25-28-49(50)57)56-45-19-9-7-17-39(45)40-18-8-10-20-46(40)56;1-3-11-31(12-4-1)32-19-25-39-41(29-32)42-30-36(24-26-40(42)46-45(39)47-27-28-48-46)49(33-13-5-2-6-14-33)34-20-22-35(23-21-34)50-43-17-9-7-15-37(43)38-16-8-10-18-44(38)50/h1-35H;1-33H;1-30H |
| InChIKey | ARCKZUWDJRHZBU-UHFFFAOYSA-N |
| XLogP | 41.50 |
| TPSA | 119.25 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 15 |
| Rotatable Bonds | 13 |
| Heavy Atoms | 171 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2184.60 |
| LogP ≤ 5 | 41.50 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 15 |
| Structural Alerts | {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'} |
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