C210H171N23O4 — CID 157155680
10-[11-(9H-acridin-10-yl)phenanthro[9,10-b]pyrazin-6-yl]phenoxazine;10-[4-[5-[4-(9H-acridin-10-yl)phenyl]-4-phenyl-1,2,4-triazol-3-yl]phenyl]phenoxazine;4-[7,11-bis[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]-2,4,6,8,10,12,13-heptazatricyclo[7.3.1.05,13]trideca-1(12),2,4,6,8,10-hexaen-3-yl]-N,N-bis(4-tert-butylphenyl)aniline;10-(7-phenoxazin-10-ylphenanthro[9,10-b]pyrazin-10-yl)phenoxazine (PubChem CID 157155680) has the molecular formula C210H171N23O4 and a molecular weight of 3080.83 g/mol. Its IUPAC name is 10-[11-(9H-acridin-10-yl)phenanthro[9,10-b]pyrazin-6-yl]phenoxazine;10-[4-[5-[4-(9H-acridin-10-yl)phenyl]-4-phenyl-1,2,4-triazol-3-yl]phenyl]phenoxazine;4-[7,11-bis[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]-2,4,6,8,10,12,13-heptazatricyclo[7.3.1.05,13]trideca-1(12),2,4,6,8,10-hexaen-3-yl]-N,N-bis(4-tert-butylphenyl)aniline;10-(7-phenoxazin-10-ylphenanthro[9,10-b]pyrazin-10-yl)phenoxazine.
| Compound Name | 10-[11-(9H-acridin-10-yl)phenanthro[9,10-b]pyrazin-6-yl]phenoxazine;10-[4-[5-[4-(9H-acridin-10-yl)phenyl]-4-phenyl-1,2,4-triazol-3-yl]phenyl]phenoxazine;4-[7,11-bis[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]-2,4,6,8,10,12,13-heptazatricyclo[7.3.1.05,13]trideca-1(12),2,4,6,8,10-hexaen-3-yl]-N,N-bis(4-tert-butylphenyl)aniline;10-(7-phenoxazin-10-ylphenanthro[9,10-b]pyrazin-10-yl)phenoxazine |
|---|---|
| PubChem CID | 157155680 |
| Molecular Formula | C210H171N23O4 |
| Molecular Weight | 3080.83 g/mol |
| Exact Mass | 3078.39 |
| IUPAC Name | 10-[11-(9H-acridin-10-yl)phenanthro[9,10-b]pyrazin-6-yl]phenoxazine;10-[4-[5-[4-(9H-acridin-10-yl)phenyl]-4-phenyl-1,2,4-triazol-3-yl]phenyl]phenoxazine;4-[7,11-bis[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]-2,4,6,8,10,12,13-heptazatricyclo[7.3.1.05,13]trideca-1(12),2,4,6,8,10-hexaen-3-yl]-N,N-bis(4-tert-butylphenyl)aniline;10-(7-phenoxazin-10-ylphenanthro[9,10-b]pyrazin-10-yl)phenoxazine |
| SMILES | CC(C)(C)c1ccc(N(c2ccc(C3=NC4=NC(c5ccc(N(c6ccc(C(C)(C)C)cc6)c6ccc(C(C)(C)C)cc6)cc5)=NC5=NC(c6ccc(N(c7ccc(C(C)(C)C)cc7)c7ccc(C(C)(C)C)cc7)cc6)=NC(=N3)N45)cc2)c2ccc(C(C)(C)C)cc2)cc1.c1ccc(-n2c(-c3ccc(N4c5ccccc5Cc5ccccc54)cc3)nnc2-c2ccc(N3c4ccccc4Oc4ccccc43)cc2)cc1.c1ccc2c(c1)Cc1ccccc1N2c1ccc2c3ccc(N4c5ccccc5Oc5ccccc54)cc3c3nccnc3c2c1.c1ccc2c(c1)Oc1ccccc1N2c1ccc2c(c1)c1cc(N3c4ccccc4Oc4ccccc43)ccc1c1nccnc21 |
| InChI | InChI=1S/C84H90N10.C45H31N5O.C41H26N4O.C40H24N4O2/c1-79(2,3)58-25-43-67(44-26-58)91(68-45-27-59(28-46-68)80(4,5)6)64-37-19-55(20-38-64)73-85-76-87-74(56-21-39-65(40-22-56)92(69-47-29-60(30-48-69)81(7,8)9)70-49-31-61(32-50-70)82(10,11)12)89-78-90-75(88-77(86-73)94(76)78)57-23-41-66(42-24-57)93(71-51-33-62(34-52-71)83(13,14)15)72-53-35-63(36-54-72)84(16,17)18;1-2-14-35(15-3-1)50-44(31-22-26-36(27-23-31)48-38-16-6-4-12-33(38)30-34-13-5-7-17-39(34)48)46-47-45(50)32-24-28-37(29-25-32)49-40-18-8-10-20-42(40)51-43-21-11-9-19-41(43)49;1-3-11-34-26(9-1)23-27-10-2-4-12-35(27)44(34)28-17-19-30-31-20-18-29(25-33(31)41-40(32(30)24-28)42-21-22-43-41)45-36-13-5-7-15-38(36)46-39-16-8-6-14-37(39)45;1-5-13-35-31(9-1)43(32-10-2-6-14-36(32)45-35)25-17-19-27-29(23-25)30-24-26(18-20-28(30)40-39(27)41-21-22-42-40)44-33-11-3-7-15-37(33)46-38-16-8-4-12-34(38)44/h19-54H,1-18H3;1-29H,30H2;1-22,24-25H,23H2;1-24H |
| InChIKey | ALTVQKOSXWCBNZ-UHFFFAOYSA-N |
| XLogP | 55.46 |
| TPSA | 225.75 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 27 |
| Rotatable Bonds | 21 |
| Heavy Atoms | 237 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3080.83 |
| LogP ≤ 5 | 55.46 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 27 |
| Structural Alerts | {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'} |
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