C289H175N29O12 — CID 167548734
6-acridin-9-yl-N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]naphthalen-2-amine;N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-6-(1,10-phenanthrolin-3-yl)naphthalen-2-amine;N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-6-(1,10-phenanthrolin-4-yl)naphthalen-2-amine;N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-6-(4,7-phenanthrolin-1-yl)naphthalen-2-amine;N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-6-pyrido[2,3-g]quinolin-4-ylnaphthalen-2-amine;N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-6-pyrido[2,3-g]quinolin-5-ylnaphthalen-2-amine (PubChem CID 167548734) has the molecular formula C289H175N29O12 and a molecular weight of 4245.77 g/mol. Its IUPAC name is 6-acridin-9-yl-N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]naphthalen-2-amine;N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-6-(1,10-phenanthrolin-3-yl)naphthalen-2-amine;N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-6-(1,10-phenanthrolin-4-yl)naphthalen-2-amine;N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-6-(4,7-phenanthrolin-1-yl)naphthalen-2-amine;N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-6-pyrido[2,3-g]quinolin-4-ylnaphthalen-2-amine;N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-6-pyrido[2,3-g]quinolin-5-ylnaphthalen-2-amine.
| Compound Name | 6-acridin-9-yl-N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]naphthalen-2-amine;N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-6-(1,10-phenanthrolin-3-yl)naphthalen-2-amine;N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-6-(1,10-phenanthrolin-4-yl)naphthalen-2-amine;N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-6-(4,7-phenanthrolin-1-yl)naphthalen-2-amine;N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-6-pyrido[2,3-g]quinolin-4-ylnaphthalen-2-amine;N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-6-pyrido[2,3-g]quinolin-5-ylnaphthalen-2-amine |
|---|---|
| PubChem CID | 167548734 |
| Molecular Formula | C289H175N29O12 |
| Molecular Weight | 4245.77 g/mol |
| Exact Mass | 4242.40 |
| IUPAC Name | 6-acridin-9-yl-N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]naphthalen-2-amine;N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-6-(1,10-phenanthrolin-3-yl)naphthalen-2-amine;N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-6-(1,10-phenanthrolin-4-yl)naphthalen-2-amine;N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-6-(4,7-phenanthrolin-1-yl)naphthalen-2-amine;N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-6-pyrido[2,3-g]quinolin-4-ylnaphthalen-2-amine;N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-6-pyrido[2,3-g]quinolin-5-ylnaphthalen-2-amine |
| SMILES | c1ccc2oc(-c3ccc(N(c4ccc(-c5nc6ccccc6o5)cc4)c4ccc5cc(-c6c7ccccc7nc7ccccc67)ccc5c4)cc3)nc2c1.c1ccc2oc(-c3ccc(N(c4ccc(-c5nc6ccccc6o5)cc4)c4ccc5cc(-c6ccnc7ccc8ncccc8c67)ccc5c4)cc3)nc2c1.c1cnc2c(-c3ccc4cc(N(c5ccc(-c6nc7ccccc7o6)cc5)c5ccc(-c6nc7ccccc7o6)cc5)ccc4c3)c3cccnc3cc2c1.c1cnc2c(c1)ccc1c(-c3ccc4cc(N(c5ccc(-c6nc7ccccc7o6)cc5)c5ccc(-c6nc7ccccc7o6)cc5)ccc4c3)ccnc12.c1cnc2c(c1)ccc1cc(-c3ccc4cc(N(c5ccc(-c6nc7ccccc7o6)cc5)c5ccc(-c6nc7ccccc7o6)cc5)ccc4c3)cnc12.c1cnc2cc3c(-c4ccc5cc(N(c6ccc(-c7nc8ccccc8o7)cc6)c6ccc(-c7nc8ccccc8o7)cc6)ccc5c4)ccnc3cc2c1 |
| InChI | InChI=1S/C49H30N4O2.5C48H29N5O2/c1-3-11-41-39(9-1)47(40-10-2-4-12-42(40)50-41)35-18-17-34-30-38(28-23-33(34)29-35)53(36-24-19-31(20-25-36)48-51-43-13-5-7-15-45(43)54-48)37-26-21-32(22-27-37)49-52-44-14-6-8-16-46(44)55-49;1-3-11-43-40(9-1)51-47(54-43)30-15-20-36(21-16-30)53(37-22-17-31(18-23-37)48-52-41-10-2-4-12-44(41)55-48)38-24-19-32-27-34(14-13-33(32)28-38)45-39-8-6-25-49-42(39)29-35-7-5-26-50-46(35)45;1-3-9-43-41(7-1)51-47(54-43)31-15-20-38(21-16-31)53(39-22-17-32(18-23-39)48-52-42-8-2-4-10-44(42)55-48)40-24-19-33-26-34(12-13-35(33)28-40)37-27-36-14-11-30-6-5-25-49-45(30)46(36)50-29-37;1-3-9-43-41(7-1)51-47(54-43)31-13-19-36(20-14-31)53(37-21-15-32(16-22-37)48-52-42-8-2-4-10-44(42)55-48)38-23-17-33-28-35(12-11-34(33)29-38)39-25-27-50-46-40(39)24-18-30-6-5-26-49-45(30)46;1-3-9-44-41(7-1)51-47(54-44)30-13-18-35(19-14-30)53(36-20-15-31(16-21-36)48-52-42-8-2-4-10-45(42)55-48)37-22-17-32-28-34(12-11-33(32)29-37)38-25-27-50-43-24-23-40-39(46(38)43)6-5-26-49-40;1-3-9-45-41(7-1)51-47(54-45)30-13-18-36(19-14-30)53(37-20-15-31(16-21-37)48-52-42-8-2-4-10-46(42)55-48)38-22-17-32-26-34(12-11-33(32)27-38)39-23-25-50-44-28-35-6-5-24-49-43(35)29-40(39)44/h1-30H;5*1-29H |
| InChIKey | CDDDCRIQACGLED-UHFFFAOYSA-N |
| XLogP | 76.74 |
| TPSA | 473.59 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 41 |
| Rotatable Bonds | 36 |
| Heavy Atoms | 330 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4245.77 |
| LogP ≤ 5 | 76.74 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 41 |