C198H148N6O9 — CID 159471492
5-N,10-N-bis(6-tert-butyldibenzofuran-4-yl)-5-N,10-N-bis(2-methylphenyl)naphtho[2,1-b][1]benzofuran-5,10-diamine;5-N,10-N-bis(6-tert-butyldibenzofuran-4-yl)-5-N,10-N-diphenylnaphtho[2,1-b][1]benzofuran-5,10-diamine;5-N,10-N-bis(6-phenyldibenzofuran-4-yl)-5-N,10-N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-5,10-diamine (PubChem CID 159471492) has the molecular formula C198H148N6O9 and a molecular weight of 2755.39 g/mol. Its IUPAC name is 5-N,10-N-bis(6-tert-butyldibenzofuran-4-yl)-5-N,10-N-bis(2-methylphenyl)naphtho[2,1-b][1]benzofuran-5,10-diamine;5-N,10-N-bis(6-tert-butyldibenzofuran-4-yl)-5-N,10-N-diphenylnaphtho[2,1-b][1]benzofuran-5,10-diamine;5-N,10-N-bis(6-phenyldibenzofuran-4-yl)-5-N,10-N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-5,10-diamine.
| Compound Name | 5-N,10-N-bis(6-tert-butyldibenzofuran-4-yl)-5-N,10-N-bis(2-methylphenyl)naphtho[2,1-b][1]benzofuran-5,10-diamine;5-N,10-N-bis(6-tert-butyldibenzofuran-4-yl)-5-N,10-N-diphenylnaphtho[2,1-b][1]benzofuran-5,10-diamine;5-N,10-N-bis(6-phenyldibenzofuran-4-yl)-5-N,10-N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-5,10-diamine |
|---|---|
| PubChem CID | 159471492 |
| Molecular Formula | C198H148N6O9 |
| Molecular Weight | 2755.39 g/mol |
| Exact Mass | 2753.13 |
| IUPAC Name | 5-N,10-N-bis(6-tert-butyldibenzofuran-4-yl)-5-N,10-N-bis(2-methylphenyl)naphtho[2,1-b][1]benzofuran-5,10-diamine;5-N,10-N-bis(6-tert-butyldibenzofuran-4-yl)-5-N,10-N-diphenylnaphtho[2,1-b][1]benzofuran-5,10-diamine;5-N,10-N-bis(6-phenyldibenzofuran-4-yl)-5-N,10-N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-5,10-diamine |
| SMILES | CC(C)(C)c1cccc2c1oc1c(N(c3ccccc3)c3ccc4oc5cc(N(c6ccccc6)c6cccc7c6oc6c(C(C)(C)C)cccc67)c6ccccc6c5c4c3)cccc12.Cc1ccccc1N(c1ccc2oc3cc(N(c4ccccc4C)c4cccc5c4oc4c(C(C)(C)C)cccc45)c4ccccc4c3c2c1)c1cccc2c1oc1c(C(C)(C)C)cccc12.c1ccc(-c2ccc(N(c3ccc4oc5cc(N(c6ccc(-c7ccccc7)cc6)c6cccc7c6oc6c(-c8ccccc8)cccc67)c6ccccc6c5c4c3)c3cccc4c3oc3c(-c5ccccc5)cccc34)cc2)cc1 |
| InChI | InChI=1S/C76H48N2O3.C62H52N2O3.C60H48N2O3/c1-5-19-49(20-6-1)51-37-41-55(42-38-51)77(67-35-17-33-64-62-31-15-29-58(73(62)80-75(64)67)53-23-9-3-10-24-53)57-45-46-70-66(47-57)72-61-28-14-13-27-60(61)69(48-71(72)79-70)78(56-43-39-52(40-44-56)50-21-7-2-8-22-50)68-36-18-34-65-63-32-16-30-59(74(63)81-76(65)68)54-25-11-4-12-26-54;1-37-19-9-13-29-49(37)63(51-31-17-25-44-42-23-15-27-47(61(3,4)5)57(42)66-59(44)51)39-33-34-54-46(35-39)56-41-22-12-11-21-40(41)53(36-55(56)65-54)64(50-30-14-10-20-38(50)2)52-32-18-26-45-43-24-16-28-48(62(6,7)8)58(43)67-60(45)52;1-59(2,3)47-29-15-25-42-44-27-17-31-49(57(44)64-55(42)47)61(37-19-9-7-10-20-37)39-33-34-52-46(35-39)54-41-24-14-13-23-40(41)51(36-53(54)63-52)62(38-21-11-8-12-22-38)50-32-18-28-45-43-26-16-30-48(60(4,5)6)56(43)65-58(45)50/h1-48H;9-36H,1-8H3;7-36H,1-6H3 |
| InChIKey | LVWCWJJJJCKHKW-UHFFFAOYSA-N |
| XLogP | 58.91 |
| TPSA | 137.70 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 15 |
| Rotatable Bonds | 22 |
| Heavy Atoms | 213 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2755.39 |
| LogP ≤ 5 | 58.91 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 15 |