C408H288N16 — CID 163819030
2-N,4-N-bis(3-naphthalen-2-ylphenyl)-2-N,4-N-diphenylphenanthrene-2,4-diamine;2-N,4-N-bis(4-naphthalen-1-ylphenyl)-2-N,4-N-diphenylphenanthrene-2,4-diamine;2-N,4-N-bis(4-naphthalen-2-ylphenyl)-2-N,4-N-diphenylphenanthrene-2,4-diamine;2-N,4-N-dinaphthalen-2-yl-2-N,4-N-diphenylphenanthrene-2,4-diamine;2-N,4-N-diphenyl-2-N,4-N-bis(2-phenylphenyl)phenanthrene-2,4-diamine;2-N,4-N-diphenyl-2-N,4-N-bis(3-phenylphenyl)phenanthrene-2,4-diamine;2-N,4-N-diphenyl-2-N,4-N-bis(4-phenylphenyl)phenanthrene-2,4-diamine;2-N,2-N,4-N,4-N-tetraphenylphenanthrene-2,4-diamine (PubChem CID 163819030) has the molecular formula C408H288N16 and a molecular weight of 5414.90 g/mol. Its IUPAC name is 2-N,4-N-bis(3-naphthalen-2-ylphenyl)-2-N,4-N-diphenylphenanthrene-2,4-diamine;2-N,4-N-bis(4-naphthalen-1-ylphenyl)-2-N,4-N-diphenylphenanthrene-2,4-diamine;2-N,4-N-bis(4-naphthalen-2-ylphenyl)-2-N,4-N-diphenylphenanthrene-2,4-diamine;2-N,4-N-dinaphthalen-2-yl-2-N,4-N-diphenylphenanthrene-2,4-diamine;2-N,4-N-diphenyl-2-N,4-N-bis(2-phenylphenyl)phenanthrene-2,4-diamine;2-N,4-N-diphenyl-2-N,4-N-bis(3-phenylphenyl)phenanthrene-2,4-diamine;2-N,4-N-diphenyl-2-N,4-N-bis(4-phenylphenyl)phenanthrene-2,4-diamine;2-N,2-N,4-N,4-N-tetraphenylphenanthrene-2,4-diamine.
| Compound Name | 2-N,4-N-bis(3-naphthalen-2-ylphenyl)-2-N,4-N-diphenylphenanthrene-2,4-diamine;2-N,4-N-bis(4-naphthalen-1-ylphenyl)-2-N,4-N-diphenylphenanthrene-2,4-diamine;2-N,4-N-bis(4-naphthalen-2-ylphenyl)-2-N,4-N-diphenylphenanthrene-2,4-diamine;2-N,4-N-dinaphthalen-2-yl-2-N,4-N-diphenylphenanthrene-2,4-diamine;2-N,4-N-diphenyl-2-N,4-N-bis(2-phenylphenyl)phenanthrene-2,4-diamine;2-N,4-N-diphenyl-2-N,4-N-bis(3-phenylphenyl)phenanthrene-2,4-diamine;2-N,4-N-diphenyl-2-N,4-N-bis(4-phenylphenyl)phenanthrene-2,4-diamine;2-N,2-N,4-N,4-N-tetraphenylphenanthrene-2,4-diamine |
|---|---|
| PubChem CID | 163819030 |
| Molecular Formula | C408H288N16 |
| Molecular Weight | 5414.90 g/mol |
| Exact Mass | 5410.30 |
| IUPAC Name | 2-N,4-N-bis(3-naphthalen-2-ylphenyl)-2-N,4-N-diphenylphenanthrene-2,4-diamine;2-N,4-N-bis(4-naphthalen-1-ylphenyl)-2-N,4-N-diphenylphenanthrene-2,4-diamine;2-N,4-N-bis(4-naphthalen-2-ylphenyl)-2-N,4-N-diphenylphenanthrene-2,4-diamine;2-N,4-N-dinaphthalen-2-yl-2-N,4-N-diphenylphenanthrene-2,4-diamine;2-N,4-N-diphenyl-2-N,4-N-bis(2-phenylphenyl)phenanthrene-2,4-diamine;2-N,4-N-diphenyl-2-N,4-N-bis(3-phenylphenyl)phenanthrene-2,4-diamine;2-N,4-N-diphenyl-2-N,4-N-bis(4-phenylphenyl)phenanthrene-2,4-diamine;2-N,2-N,4-N,4-N-tetraphenylphenanthrene-2,4-diamine |
| SMILES | c1ccc(-c2ccc(N(c3ccccc3)c3cc(N(c4ccccc4)c4ccc(-c5ccccc5)cc4)c4c(ccc5ccccc54)c3)cc2)cc1.c1ccc(-c2cccc(N(c3ccccc3)c3cc(N(c4ccccc4)c4cccc(-c5ccccc5)c4)c4c(ccc5ccccc54)c3)c2)cc1.c1ccc(-c2ccccc2N(c2ccccc2)c2cc(N(c3ccccc3)c3ccccc3-c3ccccc3)c3c(ccc4ccccc43)c2)cc1.c1ccc(N(c2ccc(-c3ccc4ccccc4c3)cc2)c2cc(N(c3ccccc3)c3ccc(-c4ccc5ccccc5c4)cc3)c3c(ccc4ccccc43)c2)cc1.c1ccc(N(c2ccc(-c3cccc4ccccc34)cc2)c2cc(N(c3ccccc3)c3ccc(-c4cccc5ccccc45)cc3)c3c(ccc4ccccc43)c2)cc1.c1ccc(N(c2ccc3ccccc3c2)c2cc(N(c3ccccc3)c3ccc4ccccc4c3)c3c(ccc4ccccc43)c2)cc1.c1ccc(N(c2cccc(-c3ccc4ccccc4c3)c2)c2cc(N(c3ccccc3)c3cccc(-c4ccc5ccccc5c4)c3)c3c(ccc4ccccc43)c2)cc1.c1ccc(N(c2ccccc2)c2cc(N(c3ccccc3)c3ccccc3)c3c(ccc4ccccc43)c2)cc1 |
| InChI | InChI=1S/3C58H40N2.3C50H36N2.C46H32N2.C38H28N2/c1-3-20-47(21-4-1)59(49-35-31-44(32-36-49)54-27-13-18-41-15-7-10-24-52(41)54)51-39-46-30-29-43-17-9-12-26-56(43)58(46)57(40-51)60(48-22-5-2-6-23-48)50-37-33-45(34-38-50)55-28-14-19-42-16-8-11-25-53(42)55;1-3-22-51(23-4-1)59(53-26-13-20-46(37-53)48-32-29-41-15-7-9-18-44(41)35-48)55-39-50-34-31-43-17-11-12-28-56(43)58(50)57(40-55)60(52-24-5-2-6-25-52)54-27-14-21-47(38-54)49-33-30-42-16-8-10-19-45(42)36-49;1-3-18-51(19-4-1)59(53-33-29-43(30-34-53)48-26-23-41-13-7-9-16-46(41)37-48)55-39-50-28-25-45-15-11-12-22-56(45)58(50)57(40-55)60(52-20-5-2-6-21-52)54-35-31-44(32-36-54)49-27-24-42-14-8-10-17-47(42)38-49;1-5-19-37(20-6-1)44-28-15-17-31-47(44)51(41-24-9-3-10-25-41)43-35-40-34-33-39-23-13-14-30-46(39)50(40)49(36-43)52(42-26-11-4-12-27-42)48-32-18-16-29-45(48)38-21-7-2-8-22-38;1-5-17-37(18-6-1)40-22-15-28-45(33-40)51(43-24-9-3-10-25-43)47-35-42-32-31-39-21-13-14-30-48(39)50(42)49(36-47)52(44-26-11-4-12-27-44)46-29-16-23-41(34-46)38-19-7-2-8-20-38;1-5-15-37(16-6-1)39-27-31-45(32-28-39)51(43-20-9-3-10-21-43)47-35-42-26-25-41-19-13-14-24-48(41)50(42)49(36-47)52(44-22-11-4-12-23-44)46-33-29-40(30-34-46)38-17-7-2-8-18-38;1-3-18-39(19-4-1)47(41-27-25-33-13-7-9-16-36(33)29-41)43-31-38-24-23-35-15-11-12-22-44(35)46(38)45(32-43)48(40-20-5-2-6-21-40)42-28-26-34-14-8-10-17-37(34)30-42;1-5-16-31(17-6-1)39(32-18-7-2-8-19-32)35-27-30-26-25-29-15-13-14-24-36(29)38(30)37(28-35)40(33-20-9-3-10-21-33)34-22-11-4-12-23-34/h3*1-40H;3*1-36H;1-32H;1-28H |
| InChIKey | NTUOSMHNWHVYJY-UHFFFAOYSA-N |
| XLogP | 116.69 |
| TPSA | 51.84 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 16 |
| Rotatable Bonds | 60 |
| Heavy Atoms | 424 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 5414.90 |
| LogP ≤ 5 | 116.69 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 16 |