C300H208N8 — CID 159065491
9,10-dinaphthalen-2-yl-2-N,2-N,6-N,6-N-tetraphenylanthracene-2,6-diamine;2-N,2-N,6-N,6-N,9,10-hexanaphthalen-2-ylanthracene-2,6-diamine;2-N,2-N,6-N,6-N-tetrakis(9,9-dimethylfluoren-2-yl)-9,10-dinaphthalen-2-ylanthracene-2,6-diamine;2-N,2-N,6-N,6-N-tetranaphthalen-1-yl-9,10-dinaphthalen-2-ylanthracene-2,6-diamine (PubChem CID 159065491) has the molecular formula C300H208N8 and a molecular weight of 3925.02 g/mol. Its IUPAC name is 9,10-dinaphthalen-2-yl-2-N,2-N,6-N,6-N-tetraphenylanthracene-2,6-diamine;2-N,2-N,6-N,6-N,9,10-hexanaphthalen-2-ylanthracene-2,6-diamine;2-N,2-N,6-N,6-N-tetrakis(9,9-dimethylfluoren-2-yl)-9,10-dinaphthalen-2-ylanthracene-2,6-diamine;2-N,2-N,6-N,6-N-tetranaphthalen-1-yl-9,10-dinaphthalen-2-ylanthracene-2,6-diamine.
| Compound Name | 9,10-dinaphthalen-2-yl-2-N,2-N,6-N,6-N-tetraphenylanthracene-2,6-diamine;2-N,2-N,6-N,6-N,9,10-hexanaphthalen-2-ylanthracene-2,6-diamine;2-N,2-N,6-N,6-N-tetrakis(9,9-dimethylfluoren-2-yl)-9,10-dinaphthalen-2-ylanthracene-2,6-diamine;2-N,2-N,6-N,6-N-tetranaphthalen-1-yl-9,10-dinaphthalen-2-ylanthracene-2,6-diamine |
|---|---|
| PubChem CID | 159065491 |
| Molecular Formula | C300H208N8 |
| Molecular Weight | 3925.02 g/mol |
| Exact Mass | 3921.65 |
| IUPAC Name | 9,10-dinaphthalen-2-yl-2-N,2-N,6-N,6-N-tetraphenylanthracene-2,6-diamine;2-N,2-N,6-N,6-N,9,10-hexanaphthalen-2-ylanthracene-2,6-diamine;2-N,2-N,6-N,6-N-tetrakis(9,9-dimethylfluoren-2-yl)-9,10-dinaphthalen-2-ylanthracene-2,6-diamine;2-N,2-N,6-N,6-N-tetranaphthalen-1-yl-9,10-dinaphthalen-2-ylanthracene-2,6-diamine |
| SMILES | CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3ccc4c(-c5ccc6ccccc6c5)c5cc(N(c6ccc7c(c6)C(C)(C)c6ccccc6-7)c6ccc7c(c6)C(C)(C)c6ccccc6-7)ccc5c(-c5ccc6ccccc6c5)c4c3)cc21.c1ccc(N(c2ccccc2)c2ccc3c(-c4ccc5ccccc5c4)c4cc(N(c5ccccc5)c5ccccc5)ccc4c(-c4ccc5ccccc5c4)c3c2)cc1.c1ccc2cc(-c3c4ccc(N(c5ccc6ccccc6c5)c5ccc6ccccc6c5)cc4c(-c4ccc5ccccc5c4)c4ccc(N(c5ccc6ccccc6c5)c5ccc6ccccc6c5)cc34)ccc2c1.c1ccc2cc(-c3c4ccc(N(c5cccc6ccccc56)c5cccc6ccccc56)cc4c(-c4ccc5ccccc5c4)c4ccc(N(c5cccc6ccccc56)c5cccc6ccccc56)cc34)ccc2c1 |
| InChI | InChI=1S/C94H72N2.2C74H48N2.C58H40N2/c1-91(2)81-29-17-13-25-69(81)73-43-37-65(53-85(73)91)95(66-38-44-74-70-26-14-18-30-82(70)92(3,4)86(74)54-66)63-41-47-77-79(51-63)89(61-35-33-57-21-9-11-23-59(57)49-61)78-48-42-64(52-80(78)90(77)62-36-34-58-22-10-12-24-60(58)50-62)96(67-39-45-75-71-27-15-19-31-83(71)93(5,6)87(75)55-67)68-40-46-76-72-28-16-20-32-84(72)94(7,8)88(76)56-68;1-7-19-55-41-61(27-25-49(55)13-1)73-69-39-37-68(76(65-35-31-53-17-5-11-23-59(53)45-65)66-36-32-54-18-6-12-24-60(54)46-66)48-72(69)74(62-28-26-50-14-2-8-20-56(50)42-62)70-40-38-67(47-71(70)73)75(63-33-29-51-15-3-9-21-57(51)43-63)64-34-30-52-16-4-10-22-58(52)44-64;1-3-23-55-45-57(39-37-49(55)17-1)73-65-43-41-60(76(71-35-15-27-53-21-7-11-31-63(53)71)72-36-16-28-54-22-8-12-32-64(54)72)48-68(65)74(58-40-38-50-18-2-4-24-56(50)46-58)66-44-42-59(47-67(66)73)75(69-33-13-25-51-19-5-9-29-61(51)69)70-34-14-26-52-20-6-10-30-62(52)70;1-5-21-47(22-6-1)59(48-23-7-2-8-24-48)51-33-35-53-55(39-51)57(45-31-29-41-17-13-15-19-43(41)37-45)54-36-34-52(60(49-25-9-3-10-26-49)50-27-11-4-12-28-50)40-56(54)58(53)46-32-30-42-18-14-16-20-44(42)38-46/h9-56H,1-8H3;2*1-48H;1-40H |
| InChIKey | JYZQXHAWSADQGX-UHFFFAOYSA-N |
| XLogP | 84.74 |
| TPSA | 25.92 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 8 |
| Rotatable Bonds | 32 |
| Heavy Atoms | 308 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3925.02 |
| LogP ≤ 5 | 84.74 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 8 |