C252H170N8O12Si — CID 158281613
6-N,11-N-bis(2-methylphenyl)-6-N,11-N-bis(6-phenyldibenzofuran-4-yl)naphtho[3,2-b][1]benzofuran-6,11-diamine;6-N,11-N-bis(3-methylphenyl)-6-N,11-N-bis(6-phenyldibenzofuran-4-yl)naphtho[3,2-b][1]benzofuran-6,11-diamine;6-N,11-N-di(dibenzofuran-4-yl)-6-N-(4-methylphenyl)-11-N-(4-trimethylsilylphenyl)naphtho[3,2-b][1]benzofuran-6,11-diamine;6-N,11-N-diphenyl-6-N,11-N-bis(6-phenyldibenzofuran-4-yl)naphtho[3,2-b][1]benzofuran-6,11-diamine (PubChem CID 158281613) has the molecular formula C252H170N8O12Si and a molecular weight of 3530.26 g/mol. Its IUPAC name is 6-N,11-N-bis(2-methylphenyl)-6-N,11-N-bis(6-phenyldibenzofuran-4-yl)naphtho[3,2-b][1]benzofuran-6,11-diamine;6-N,11-N-bis(3-methylphenyl)-6-N,11-N-bis(6-phenyldibenzofuran-4-yl)naphtho[3,2-b][1]benzofuran-6,11-diamine;6-N,11-N-di(dibenzofuran-4-yl)-6-N-(4-methylphenyl)-11-N-(4-trimethylsilylphenyl)naphtho[3,2-b][1]benzofuran-6,11-diamine;6-N,11-N-diphenyl-6-N,11-N-bis(6-phenyldibenzofuran-4-yl)naphtho[3,2-b][1]benzofuran-6,11-diamine.
| Compound Name | 6-N,11-N-bis(2-methylphenyl)-6-N,11-N-bis(6-phenyldibenzofuran-4-yl)naphtho[3,2-b][1]benzofuran-6,11-diamine;6-N,11-N-bis(3-methylphenyl)-6-N,11-N-bis(6-phenyldibenzofuran-4-yl)naphtho[3,2-b][1]benzofuran-6,11-diamine;6-N,11-N-di(dibenzofuran-4-yl)-6-N-(4-methylphenyl)-11-N-(4-trimethylsilylphenyl)naphtho[3,2-b][1]benzofuran-6,11-diamine;6-N,11-N-diphenyl-6-N,11-N-bis(6-phenyldibenzofuran-4-yl)naphtho[3,2-b][1]benzofuran-6,11-diamine |
|---|---|
| PubChem CID | 158281613 |
| Molecular Formula | C252H170N8O12Si |
| Molecular Weight | 3530.26 g/mol |
| Exact Mass | 3527.27 |
| IUPAC Name | 6-N,11-N-bis(2-methylphenyl)-6-N,11-N-bis(6-phenyldibenzofuran-4-yl)naphtho[3,2-b][1]benzofuran-6,11-diamine;6-N,11-N-bis(3-methylphenyl)-6-N,11-N-bis(6-phenyldibenzofuran-4-yl)naphtho[3,2-b][1]benzofuran-6,11-diamine;6-N,11-N-di(dibenzofuran-4-yl)-6-N-(4-methylphenyl)-11-N-(4-trimethylsilylphenyl)naphtho[3,2-b][1]benzofuran-6,11-diamine;6-N,11-N-diphenyl-6-N,11-N-bis(6-phenyldibenzofuran-4-yl)naphtho[3,2-b][1]benzofuran-6,11-diamine |
| SMILES | Cc1ccc(N(c2cccc3c2oc2ccccc23)c2c3ccccc3c(N(c3ccc([Si](C)(C)C)cc3)c3cccc4c3oc3ccccc34)c3c2oc2ccccc23)cc1.Cc1cccc(N(c2cccc3c2oc2c(-c4ccccc4)cccc23)c2c3ccccc3c(N(c3cccc(C)c3)c3cccc4c3oc3c(-c5ccccc5)cccc34)c3c2oc2ccccc23)c1.Cc1ccccc1N(c1cccc2c1oc1c(-c3ccccc3)cccc12)c1c2ccccc2c(N(c2ccccc2C)c2cccc3c2oc2c(-c4ccccc4)cccc23)c2c1oc1ccccc12.c1ccc(-c2cccc3c2oc2c(N(c4ccccc4)c4c5ccccc5c(N(c5ccccc5)c5cccc6c5oc5c(-c7ccccc7)cccc56)c5c4oc4ccccc45)cccc23)cc1 |
| InChI | InChI=1S/2C66H44N2O3.C64H40N2O3.C56H42N2O3Si/c1-41-21-9-14-36-54(41)67(56-38-19-34-51-49-32-17-30-45(62(49)70-64(51)56)43-23-5-3-6-24-43)60-47-27-11-12-28-48(47)61(66-59(60)53-29-13-16-40-58(53)69-66)68(55-37-15-10-22-42(55)2)57-39-20-35-52-50-33-18-31-46(63(50)71-65(52)57)44-25-7-4-8-26-44;1-41-19-13-25-45(39-41)67(56-36-17-34-53-51-32-15-30-47(62(51)70-64(53)56)43-21-5-3-6-22-43)60-49-27-9-10-28-50(49)61(66-59(60)55-29-11-12-38-58(55)69-66)68(46-26-14-20-42(2)40-46)57-37-18-35-54-52-33-16-31-48(63(52)71-65(54)57)44-23-7-4-8-24-44;1-5-21-41(22-6-1)45-32-17-34-49-51-36-19-38-54(62(51)68-60(45)49)65(43-25-9-3-10-26-43)58-47-29-13-14-30-48(47)59(64-57(58)53-31-15-16-40-56(53)67-64)66(44-27-11-4-12-28-44)55-39-20-37-52-50-35-18-33-46(61(50)69-63(52)55)42-23-7-2-8-24-42;1-35-27-29-36(30-28-35)58(47-23-14-21-44-40-16-8-11-25-49(40)60-55(44)47)53-42-18-6-5-17-41(42)52(51-45-19-9-12-26-50(45)61-56(51)53)57(37-31-33-38(34-32-37)62(2,3)4)46-22-13-20-43-39-15-7-10-24-48(39)59-54(43)46/h2*3-40H,1-2H3;1-40H;5-34H,1-4H3 |
| InChIKey | GKGYUMVEBLHEFH-UHFFFAOYSA-N |
| XLogP | 74.00 |
| TPSA | 183.60 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 20 |
| Rotatable Bonds | 31 |
| Heavy Atoms | 273 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3530.26 |
| LogP ≤ 5 | 74.00 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 20 |
| Structural Alerts | {'alert_name': 'diaminobenzene_3', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'} |
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