C390H272N20O2 — CID 157390854
bis(N,N-bis[4-[3-(9H-acridin-10-yl)phenyl]phenyl]dibenzofuran-3-amine);tris(N,N-bis[4-[3-(9H-acridin-10-yl)phenyl]phenyl]phenanthren-9-amine);N,N-bis[4-[3-(10-phenylphenazin-5-yl)phenyl]phenyl]phenanthren-9-amine (PubChem CID 157390854) has the molecular formula C390H272N20O2 and a molecular weight of 5270.60 g/mol. Its IUPAC name is bis(N,N-bis[4-[3-(9H-acridin-10-yl)phenyl]phenyl]dibenzofuran-3-amine);tris(N,N-bis[4-[3-(9H-acridin-10-yl)phenyl]phenyl]phenanthren-9-amine);N,N-bis[4-[3-(10-phenylphenazin-5-yl)phenyl]phenyl]phenanthren-9-amine.
| Compound Name | bis(N,N-bis[4-[3-(9H-acridin-10-yl)phenyl]phenyl]dibenzofuran-3-amine);tris(N,N-bis[4-[3-(9H-acridin-10-yl)phenyl]phenyl]phenanthren-9-amine);N,N-bis[4-[3-(10-phenylphenazin-5-yl)phenyl]phenyl]phenanthren-9-amine |
|---|---|
| PubChem CID | 157390854 |
| Molecular Formula | C390H272N20O2 |
| Molecular Weight | 5270.60 g/mol |
| Exact Mass | 5266.18 |
| IUPAC Name | bis(N,N-bis[4-[3-(9H-acridin-10-yl)phenyl]phenyl]dibenzofuran-3-amine);tris(N,N-bis[4-[3-(9H-acridin-10-yl)phenyl]phenyl]phenanthren-9-amine);N,N-bis[4-[3-(10-phenylphenazin-5-yl)phenyl]phenyl]phenanthren-9-amine |
| SMILES | c1cc(-c2ccc(N(c3ccc(-c4cccc(N5c6ccccc6Cc6ccccc65)c4)cc3)c3cc4ccccc4c4ccccc34)cc2)cc(N2c3ccccc3Cc3ccccc32)c1.c1cc(-c2ccc(N(c3ccc(-c4cccc(N5c6ccccc6Cc6ccccc65)c4)cc3)c3cc4ccccc4c4ccccc34)cc2)cc(N2c3ccccc3Cc3ccccc32)c1.c1cc(-c2ccc(N(c3ccc(-c4cccc(N5c6ccccc6Cc6ccccc65)c4)cc3)c3cc4ccccc4c4ccccc34)cc2)cc(N2c3ccccc3Cc3ccccc32)c1.c1cc(-c2ccc(N(c3ccc(-c4cccc(N5c6ccccc6Cc6ccccc65)c4)cc3)c3ccc4c(c3)oc3ccccc34)cc2)cc(N2c3ccccc3Cc3ccccc32)c1.c1cc(-c2ccc(N(c3ccc(-c4cccc(N5c6ccccc6Cc6ccccc65)c4)cc3)c3ccc4c(c3)oc3ccccc34)cc2)cc(N2c3ccccc3Cc3ccccc32)c1.c1ccc(N2c3ccccc3N(c3cccc(-c4ccc(N(c5ccc(-c6cccc(N7c8ccccc8N(c8ccccc8)c8ccccc87)c6)cc5)c5cc6ccccc6c6ccccc56)cc4)c3)c3ccccc32)cc1 |
| InChI | InChI=1S/C74H51N5.3C64H45N3.2C62H43N3O/c1-3-24-57(25-4-1)76-66-33-11-15-37-70(66)78(71-38-16-12-34-67(71)76)61-28-19-22-54(49-61)52-41-45-59(46-42-52)75(74-51-56-21-7-8-30-63(56)64-31-9-10-32-65(64)74)60-47-43-53(44-48-60)55-23-20-29-62(50-55)79-72-39-17-13-35-68(72)77(58-26-5-2-6-27-58)69-36-14-18-40-73(69)79;3*1-6-24-57-48(15-1)43-64(59-26-8-7-25-58(57)59)65(53-35-31-44(32-36-53)46-20-13-22-55(41-46)66-60-27-9-2-16-49(60)39-50-17-3-10-28-61(50)66)54-37-33-45(34-38-54)47-21-14-23-56(42-47)67-62-29-11-4-18-51(62)40-52-19-5-12-30-63(52)67;2*1-6-22-57-46(13-1)37-47-14-2-7-23-58(47)64(57)52-19-11-17-44(39-52)42-27-31-50(32-28-42)63(54-35-36-56-55-21-5-10-26-61(55)66-62(56)41-54)51-33-29-43(30-34-51)45-18-12-20-53(40-45)65-59-24-8-3-15-48(59)38-49-16-4-9-25-60(49)65/h1-51H;3*1-38,41-43H,39-40H2;2*1-36,39-41H,37-38H2 |
| InChIKey | BLZGTOKMSBECKM-UHFFFAOYSA-N |
| XLogP | 108.21 |
| TPSA | 91.08 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 22 |
| Rotatable Bonds | 44 |
| Heavy Atoms | 412 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 5270.60 |
| LogP ≤ 5 | 108.21 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 22 |