C340H242N12 — CID 160629141
9-N,10-N-dinaphthalen-1-yl-9-N,10-N,2,6-tetraphenylanthracene-9,10-diamine;9-N,10-N-diphenyl-9-N,10-N-bis(2-phenylphenyl)anthracene-9,10-diamine;9-N,10-N-diphenyl-9-N,10-N-bis(3-phenylphenyl)anthracene-9,10-diamine;2-N,2-N,6-N,6-N,9-pentakis-phenyl-10-[4-(2-phenylethenyl)phenyl]anthracene-2,6-diamine;10-N-(2-phenylphenyl)-9-N,9-N,10-N-tris(3-phenylphenyl)anthracene-9,10-diamine;9-N,9-N,10-N,10-N-tetrakis(3-phenylphenyl)anthracene-9,10-diamine (PubChem CID 160629141) has the molecular formula C340H242N12 and a molecular weight of 4495.76 g/mol. Its IUPAC name is 9-N,10-N-dinaphthalen-1-yl-9-N,10-N,2,6-tetraphenylanthracene-9,10-diamine;9-N,10-N-diphenyl-9-N,10-N-bis(2-phenylphenyl)anthracene-9,10-diamine;9-N,10-N-diphenyl-9-N,10-N-bis(3-phenylphenyl)anthracene-9,10-diamine;2-N,2-N,6-N,6-N,9-pentakis-phenyl-10-[4-(2-phenylethenyl)phenyl]anthracene-2,6-diamine;10-N-(2-phenylphenyl)-9-N,9-N,10-N-tris(3-phenylphenyl)anthracene-9,10-diamine;9-N,9-N,10-N,10-N-tetrakis(3-phenylphenyl)anthracene-9,10-diamine.
| Compound Name | 9-N,10-N-dinaphthalen-1-yl-9-N,10-N,2,6-tetraphenylanthracene-9,10-diamine;9-N,10-N-diphenyl-9-N,10-N-bis(2-phenylphenyl)anthracene-9,10-diamine;9-N,10-N-diphenyl-9-N,10-N-bis(3-phenylphenyl)anthracene-9,10-diamine;2-N,2-N,6-N,6-N,9-pentakis-phenyl-10-[4-(2-phenylethenyl)phenyl]anthracene-2,6-diamine;10-N-(2-phenylphenyl)-9-N,9-N,10-N-tris(3-phenylphenyl)anthracene-9,10-diamine;9-N,9-N,10-N,10-N-tetrakis(3-phenylphenyl)anthracene-9,10-diamine |
|---|---|
| PubChem CID | 160629141 |
| Molecular Formula | C340H242N12 |
| Molecular Weight | 4495.76 g/mol |
| Exact Mass | 4491.93 |
| IUPAC Name | 9-N,10-N-dinaphthalen-1-yl-9-N,10-N,2,6-tetraphenylanthracene-9,10-diamine;9-N,10-N-diphenyl-9-N,10-N-bis(2-phenylphenyl)anthracene-9,10-diamine;9-N,10-N-diphenyl-9-N,10-N-bis(3-phenylphenyl)anthracene-9,10-diamine;2-N,2-N,6-N,6-N,9-pentakis-phenyl-10-[4-(2-phenylethenyl)phenyl]anthracene-2,6-diamine;10-N-(2-phenylphenyl)-9-N,9-N,10-N-tris(3-phenylphenyl)anthracene-9,10-diamine;9-N,9-N,10-N,10-N-tetrakis(3-phenylphenyl)anthracene-9,10-diamine |
| SMILES | C(=Cc1ccc(-c2c3ccc(N(c4ccccc4)c4ccccc4)cc3c(-c3ccccc3)c3ccc(N(c4ccccc4)c4ccccc4)cc23)cc1)c1ccccc1.c1ccc(-c2ccc3c(N(c4ccccc4)c4cccc5ccccc45)c4cc(-c5ccccc5)ccc4c(N(c4ccccc4)c4cccc5ccccc45)c3c2)cc1.c1ccc(-c2cccc(N(c3cccc(-c4ccccc4)c3)c3c4ccccc4c(N(c4cccc(-c5ccccc5)c4)c4cccc(-c5ccccc5)c4)c4ccccc34)c2)cc1.c1ccc(-c2cccc(N(c3cccc(-c4ccccc4)c3)c3c4ccccc4c(N(c4cccc(-c5ccccc5)c4)c4ccccc4-c4ccccc4)c4ccccc34)c2)cc1.c1ccc(-c2cccc(N(c3ccccc3)c3c4ccccc4c(N(c4ccccc4)c4cccc(-c5ccccc5)c4)c4ccccc34)c2)cc1.c1ccc(-c2ccccc2N(c2ccccc2)c2c3ccccc3c(N(c3ccccc3)c3ccccc3-c3ccccc3)c3ccccc23)cc1 |
| InChI | InChI=1S/2C62H44N2.C58H40N2.C58H42N2.2C50H36N2/c1-5-21-45(22-6-1)49-29-17-33-53(41-49)63(54-34-18-30-50(42-54)46-23-7-2-8-24-46)61-57-37-13-15-39-59(57)62(60-40-16-14-38-58(60)61)64(55-35-19-31-51(43-55)47-25-9-3-10-26-47)56-36-20-32-52(44-56)48-27-11-4-12-28-48;1-5-22-45(23-6-1)49-30-19-33-52(42-49)63(53-34-20-31-50(43-53)46-24-7-2-8-25-46)61-56-37-13-15-39-58(56)62(59-40-16-14-38-57(59)61)64(54-35-21-32-51(44-54)47-26-9-3-10-27-47)60-41-18-17-36-55(60)48-28-11-4-12-29-48;1-5-19-41(20-6-1)45-35-37-51-53(39-45)57(59(47-27-9-3-10-28-47)55-33-17-25-43-23-13-15-31-49(43)55)52-38-36-46(42-21-7-2-8-22-42)40-54(52)58(51)60(48-29-11-4-12-30-48)56-34-18-26-44-24-14-16-32-50(44)56;1-7-19-43(20-8-1)31-32-44-33-35-46(36-34-44)58-54-40-38-51(59(47-23-11-3-12-24-47)48-25-13-4-14-26-48)41-55(54)57(45-21-9-2-10-22-45)53-39-37-52(42-56(53)58)60(49-27-15-5-16-28-49)50-29-17-6-18-30-50;1-5-21-37(22-6-1)41-29-17-19-35-47(41)51(39-25-9-3-10-26-39)49-43-31-13-15-33-45(43)50(46-34-16-14-32-44(46)49)52(40-27-11-4-12-28-40)48-36-20-18-30-42(48)38-23-7-2-8-24-38;1-5-19-37(20-6-1)39-23-17-29-43(35-39)51(41-25-9-3-10-26-41)49-45-31-13-15-33-47(45)50(48-34-16-14-32-46(48)49)52(42-27-11-4-12-28-42)44-30-18-24-40(36-44)38-21-7-2-8-22-38/h2*1-44H;1-40H;1-42H;2*1-36H |
| InChIKey | RHRSYDIBRGLXEA-UHFFFAOYSA-N |
| XLogP | 96.74 |
| TPSA | 38.88 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 12 |
| Rotatable Bonds | 54 |
| Heavy Atoms | 352 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4495.76 |
| LogP ≤ 5 | 96.74 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 12 |