C328H256N36 — CID 158836203
9,10-bis(9,9-dimethylfluoren-2-yl)-2-N,2-N,6-N,6-N-tetrapyridin-2-ylanthracene-2,6-diamine;9,10-bis(9,9-dimethylfluoren-2-yl)-2-N,2-N,6-N,6-N-tetrapyridin-4-ylanthracene-2,6-diamine;9,10-bis(3,5-dimethylphenyl)-2-N,6-N-dipyridin-2-yl-2-N,6-N-dipyridin-3-ylanthracene-2,6-diamine;9,10-bis(3,5-dimethylphenyl)-2-N,6-N-dipyridin-2-yl-2-N,6-N-dipyridin-4-ylanthracene-2,6-diamine;9,10-bis(3,5-dimethylphenyl)-2-N,6-N-dipyridin-3-yl-2-N,6-N-dipyridin-4-ylanthracene-2,6-diamine;9,10-bis(3,5-dimethylphenyl)-2-N,2-N,6-N,6-N-tetrapyridin-3-ylanthracene-2,6-diamine (PubChem CID 158836203) has the molecular formula C328H256N36 and a molecular weight of 4701.91 g/mol. Its IUPAC name is 9,10-bis(9,9-dimethylfluoren-2-yl)-2-N,2-N,6-N,6-N-tetrapyridin-2-ylanthracene-2,6-diamine;9,10-bis(9,9-dimethylfluoren-2-yl)-2-N,2-N,6-N,6-N-tetrapyridin-4-ylanthracene-2,6-diamine;9,10-bis(3,5-dimethylphenyl)-2-N,6-N-dipyridin-2-yl-2-N,6-N-dipyridin-3-ylanthracene-2,6-diamine;9,10-bis(3,5-dimethylphenyl)-2-N,6-N-dipyridin-2-yl-2-N,6-N-dipyridin-4-ylanthracene-2,6-diamine;9,10-bis(3,5-dimethylphenyl)-2-N,6-N-dipyridin-3-yl-2-N,6-N-dipyridin-4-ylanthracene-2,6-diamine;9,10-bis(3,5-dimethylphenyl)-2-N,2-N,6-N,6-N-tetrapyridin-3-ylanthracene-2,6-diamine.
| Compound Name | 9,10-bis(9,9-dimethylfluoren-2-yl)-2-N,2-N,6-N,6-N-tetrapyridin-2-ylanthracene-2,6-diamine;9,10-bis(9,9-dimethylfluoren-2-yl)-2-N,2-N,6-N,6-N-tetrapyridin-4-ylanthracene-2,6-diamine;9,10-bis(3,5-dimethylphenyl)-2-N,6-N-dipyridin-2-yl-2-N,6-N-dipyridin-3-ylanthracene-2,6-diamine;9,10-bis(3,5-dimethylphenyl)-2-N,6-N-dipyridin-2-yl-2-N,6-N-dipyridin-4-ylanthracene-2,6-diamine;9,10-bis(3,5-dimethylphenyl)-2-N,6-N-dipyridin-3-yl-2-N,6-N-dipyridin-4-ylanthracene-2,6-diamine;9,10-bis(3,5-dimethylphenyl)-2-N,2-N,6-N,6-N-tetrapyridin-3-ylanthracene-2,6-diamine |
|---|---|
| PubChem CID | 158836203 |
| Molecular Formula | C328H256N36 |
| Molecular Weight | 4701.91 g/mol |
| Exact Mass | 4698.11 |
| IUPAC Name | 9,10-bis(9,9-dimethylfluoren-2-yl)-2-N,2-N,6-N,6-N-tetrapyridin-2-ylanthracene-2,6-diamine;9,10-bis(9,9-dimethylfluoren-2-yl)-2-N,2-N,6-N,6-N-tetrapyridin-4-ylanthracene-2,6-diamine;9,10-bis(3,5-dimethylphenyl)-2-N,6-N-dipyridin-2-yl-2-N,6-N-dipyridin-3-ylanthracene-2,6-diamine;9,10-bis(3,5-dimethylphenyl)-2-N,6-N-dipyridin-2-yl-2-N,6-N-dipyridin-4-ylanthracene-2,6-diamine;9,10-bis(3,5-dimethylphenyl)-2-N,6-N-dipyridin-3-yl-2-N,6-N-dipyridin-4-ylanthracene-2,6-diamine;9,10-bis(3,5-dimethylphenyl)-2-N,2-N,6-N,6-N-tetrapyridin-3-ylanthracene-2,6-diamine |
| SMILES | CC1(C)c2ccccc2-c2ccc(-c3c4ccc(N(c5ccccn5)c5ccccn5)cc4c(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4ccc(N(c5ccccn5)c5ccccn5)cc34)cc21.CC1(C)c2ccccc2-c2ccc(-c3c4ccc(N(c5ccncc5)c5ccncc5)cc4c(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4ccc(N(c5ccncc5)c5ccncc5)cc34)cc21.Cc1cc(C)cc(-c2c3ccc(N(c4cccnc4)c4ccccn4)cc3c(-c3cc(C)cc(C)c3)c3ccc(N(c4cccnc4)c4ccccn4)cc23)c1.Cc1cc(C)cc(-c2c3ccc(N(c4cccnc4)c4cccnc4)cc3c(-c3cc(C)cc(C)c3)c3ccc(N(c4cccnc4)c4cccnc4)cc23)c1.Cc1cc(C)cc(-c2c3ccc(N(c4ccncc4)c4ccccn4)cc3c(-c3cc(C)cc(C)c3)c3ccc(N(c4ccncc4)c4ccccn4)cc23)c1.Cc1cc(C)cc(-c2c3ccc(N(c4ccncc4)c4cccnc4)cc3c(-c3cc(C)cc(C)c3)c3ccc(N(c4ccncc4)c4cccnc4)cc23)c1 |
| InChI | InChI=1S/2C64H48N6.4C50H40N6/c1-63(2)53-19-7-5-17-45(53)47-29-25-41(37-55(47)63)61-49-31-27-44(70(59-23-11-15-35-67-59)60-24-12-16-36-68-60)40-52(49)62(42-26-30-48-46-18-6-8-20-54(46)64(3,4)56(48)38-42)50-32-28-43(39-51(50)61)69(57-21-9-13-33-65-57)58-22-10-14-34-66-58;1-63(2)57-11-7-5-9-49(57)51-17-13-41(37-59(51)63)61-53-19-15-48(70(45-25-33-67-34-26-45)46-27-35-68-36-28-46)40-56(53)62(42-14-18-52-50-10-6-8-12-58(50)64(3,4)60(52)38-42)54-20-16-47(39-55(54)61)69(43-21-29-65-30-22-43)44-23-31-66-32-24-44;1-33-21-34(2)24-37(23-33)49-45-15-13-40(56(43-11-7-19-53-31-43)44-12-8-20-54-32-44)28-48(45)50(38-25-35(3)22-36(4)26-38)46-16-14-39(27-47(46)49)55(41-9-5-17-51-29-41)42-10-6-18-52-30-42;1-33-23-34(2)26-37(25-33)49-45-11-9-42(56(40-15-21-52-22-16-40)44-8-6-18-54-32-44)30-48(45)50(38-27-35(3)24-36(4)28-38)46-12-10-41(29-47(46)49)55(39-13-19-51-20-14-39)43-7-5-17-53-31-43;1-33-23-34(2)26-37(25-33)49-43-17-15-40(56(42-12-10-20-52-32-42)48-14-6-8-22-54-48)30-46(43)50(38-27-35(3)24-36(4)28-38)44-18-16-39(29-45(44)49)55(41-11-9-19-51-31-41)47-13-5-7-21-53-47;1-33-25-34(2)28-37(27-33)49-43-13-11-42(56(40-17-23-52-24-18-40)48-10-6-8-20-54-48)32-46(43)50(38-29-35(3)26-36(4)30-38)44-14-12-41(31-45(44)49)55(39-15-21-51-22-16-39)47-9-5-7-19-53-47/h2*5-40H,1-4H3;4*5-32H,1-4H3 |
| InChIKey | IXRBJMHAIZVTJV-UHFFFAOYSA-N |
| XLogP | 85.24 |
| TPSA | 348.24 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 36 |
| Rotatable Bonds | 48 |
| Heavy Atoms | 364 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4701.91 |
| LogP ≤ 5 | 85.24 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 36 |