C178H127N9 — CID 159943558
5-(1-phenylindol-5-yl)-1-N,1-N,3-N,3-N-tetrakis(4-phenylphenyl)benzene-1,3-diamine;1-N,1-N,3-N,3-N-tetranaphthalen-1-yl-5-(1-phenylindol-5-yl)benzene-1,3-diamine;1-N,1-N,3-N,3-N-tetraphenyl-5-[1-(4-phenylphenyl)indol-5-yl]benzene-1,3-diamine (PubChem CID 159943558) has the molecular formula C178H127N9 and a molecular weight of 2392.04 g/mol. Its IUPAC name is 5-(1-phenylindol-5-yl)-1-N,1-N,3-N,3-N-tetrakis(4-phenylphenyl)benzene-1,3-diamine;1-N,1-N,3-N,3-N-tetranaphthalen-1-yl-5-(1-phenylindol-5-yl)benzene-1,3-diamine;1-N,1-N,3-N,3-N-tetraphenyl-5-[1-(4-phenylphenyl)indol-5-yl]benzene-1,3-diamine.
| Compound Name | 5-(1-phenylindol-5-yl)-1-N,1-N,3-N,3-N-tetrakis(4-phenylphenyl)benzene-1,3-diamine;1-N,1-N,3-N,3-N-tetranaphthalen-1-yl-5-(1-phenylindol-5-yl)benzene-1,3-diamine;1-N,1-N,3-N,3-N-tetraphenyl-5-[1-(4-phenylphenyl)indol-5-yl]benzene-1,3-diamine |
|---|---|
| PubChem CID | 159943558 |
| Molecular Formula | C178H127N9 |
| Molecular Weight | 2392.04 g/mol |
| Exact Mass | 2390.02 |
| IUPAC Name | 5-(1-phenylindol-5-yl)-1-N,1-N,3-N,3-N-tetrakis(4-phenylphenyl)benzene-1,3-diamine;1-N,1-N,3-N,3-N-tetranaphthalen-1-yl-5-(1-phenylindol-5-yl)benzene-1,3-diamine;1-N,1-N,3-N,3-N-tetraphenyl-5-[1-(4-phenylphenyl)indol-5-yl]benzene-1,3-diamine |
| SMILES | c1ccc(-c2ccc(-n3ccc4cc(-c5cc(N(c6ccccc6)c6ccccc6)cc(N(c6ccccc6)c6ccccc6)c5)ccc43)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cc(-c4ccc5c(ccn5-c5ccccc5)c4)cc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccccc5)cc4)c3)cc2)cc1.c1ccc(-n2ccc3cc(-c4cc(N(c5cccc6ccccc56)c5cccc6ccccc56)cc(N(c5cccc6ccccc56)c5cccc6ccccc56)c4)ccc32)cc1 |
| InChI | InChI=1S/C68H49N3.C60H41N3.C50H37N3/c1-6-16-50(17-7-1)54-26-35-62(36-27-54)70(63-37-28-55(29-38-63)51-18-8-2-9-19-51)66-47-60(58-34-43-68-59(46-58)44-45-69(68)61-24-14-5-15-25-61)48-67(49-66)71(64-39-30-56(31-40-64)52-20-10-3-11-21-52)65-41-32-57(33-42-65)53-22-12-4-13-23-53;1-2-24-49(25-3-1)61-37-36-47-38-46(34-35-56(47)61)48-39-50(62(57-30-12-20-42-16-4-8-26-52(42)57)58-31-13-21-43-17-5-9-27-53(43)58)41-51(40-48)63(59-32-14-22-44-18-6-10-28-54(44)59)60-33-15-23-45-19-7-11-29-55(45)60;1-6-16-38(17-7-1)39-26-29-43(30-27-39)51-33-32-41-34-40(28-31-50(41)51)42-35-48(52(44-18-8-2-9-19-44)45-20-10-3-11-21-45)37-49(36-42)53(46-22-12-4-13-23-46)47-24-14-5-15-25-47/h1-49H;1-41H;1-37H |
| InChIKey | OBEVGDJRUOQSCJ-UHFFFAOYSA-N |
| XLogP | 49.66 |
| TPSA | 34.23 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 9 |
| Rotatable Bonds | 29 |
| Heavy Atoms | 187 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2392.04 |
| LogP ≤ 5 | 49.66 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 9 |