C296H187N5O6 — CID 158449114
2,7-bis(2,6,8-triphenyldibenzofuran-4-yl)-9-(3-triphenylen-2-ylphenyl)carbazole;2-dibenzofuran-4-yl-9-triphenylen-2-ylcarbazole;2-dibenzofuran-4-yl-9-(3-triphenylen-2-ylphenyl)carbazole;2-(2,8-diphenyldibenzofuran-4-yl)-9-triphenylen-2-ylcarbazole;methane;2-(6-phenyldibenzofuran-4-yl)-9-(3-triphenylen-2-ylphenyl)carbazole (PubChem CID 158449114) has the molecular formula C296H187N5O6 and a molecular weight of 3909.78 g/mol. Its IUPAC name is 2,7-bis(2,6,8-triphenyldibenzofuran-4-yl)-9-(3-triphenylen-2-ylphenyl)carbazole;2-dibenzofuran-4-yl-9-triphenylen-2-ylcarbazole;2-dibenzofuran-4-yl-9-(3-triphenylen-2-ylphenyl)carbazole;2-(2,8-diphenyldibenzofuran-4-yl)-9-triphenylen-2-ylcarbazole;methane;2-(6-phenyldibenzofuran-4-yl)-9-(3-triphenylen-2-ylphenyl)carbazole.
| Compound Name | 2,7-bis(2,6,8-triphenyldibenzofuran-4-yl)-9-(3-triphenylen-2-ylphenyl)carbazole;2-dibenzofuran-4-yl-9-triphenylen-2-ylcarbazole;2-dibenzofuran-4-yl-9-(3-triphenylen-2-ylphenyl)carbazole;2-(2,8-diphenyldibenzofuran-4-yl)-9-triphenylen-2-ylcarbazole;methane;2-(6-phenyldibenzofuran-4-yl)-9-(3-triphenylen-2-ylphenyl)carbazole |
|---|---|
| PubChem CID | 158449114 |
| Molecular Formula | C296H187N5O6 |
| Molecular Weight | 3909.78 g/mol |
| Exact Mass | 3906.45 |
| IUPAC Name | 2,7-bis(2,6,8-triphenyldibenzofuran-4-yl)-9-(3-triphenylen-2-ylphenyl)carbazole;2-dibenzofuran-4-yl-9-triphenylen-2-ylcarbazole;2-dibenzofuran-4-yl-9-(3-triphenylen-2-ylphenyl)carbazole;2-(2,8-diphenyldibenzofuran-4-yl)-9-triphenylen-2-ylcarbazole;methane;2-(6-phenyldibenzofuran-4-yl)-9-(3-triphenylen-2-ylphenyl)carbazole |
| SMILES | C.C.c1cc(-c2ccc3c4ccccc4c4ccccc4c3c2)cc(-n2c3ccccc3c3ccc(-c4cccc5c4oc4ccccc45)cc32)c1.c1ccc(-c2cc(-c3ccccc3)c3oc4c(-c5ccc6c7ccc(-c8cc(-c9ccccc9)cc9c8oc8c(-c%10ccccc%10)cc(-c%10ccccc%10)cc89)cc7n(-c7cccc(-c8ccc9c%10ccccc%10c%10ccccc%10c9c8)c7)c6c5)cc(-c5ccccc5)cc4c3c2)cc1.c1ccc(-c2ccc3oc4c(-c5ccc6c7ccccc7n(-c7ccc8c9ccccc9c9ccccc9c8c7)c6c5)cc(-c5ccccc5)cc4c3c2)cc1.c1ccc(-c2cccc3c2oc2c(-c4ccc5c6ccccc6n(-c6cccc(-c7ccc8c9ccccc9c9ccccc9c8c7)c6)c5c4)cccc23)cc1.c1ccc2c(c1)oc1c(-c3ccc4c5ccccc5n(-c5ccc6c7ccccc7c7ccccc7c6c5)c4c3)cccc12 |
| InChI | InChI=1S/C96H59NO2.2C54H33NO.C48H29NO.C42H25NO.2CH4/c1-7-24-60(25-8-1)70-50-82(64-32-15-5-16-33-64)93-87(54-70)89-56-72(62-28-11-3-12-29-62)52-84(95(89)98-93)68-43-46-80-81-47-44-69(59-92(81)97(91(80)58-68)74-37-23-36-66(48-74)67-42-45-79-77-40-20-19-38-75(77)76-39-21-22-41-78(76)86(79)49-67)85-53-73(63-30-13-4-14-31-63)57-90-88-55-71(61-26-9-2-10-27-61)51-83(94(88)99-96(85)90)65-34-17-6-18-35-65;1-3-13-34(14-4-1)36-24-28-53-49(29-36)50-31-38(35-15-5-2-6-16-35)30-47(54(50)56-53)37-23-26-46-45-21-11-12-22-51(45)55(52(46)32-37)39-25-27-44-42-19-8-7-17-40(42)41-18-9-10-20-43(41)48(44)33-39;1-2-13-34(14-3-1)39-22-11-24-48-49-25-12-23-40(54(49)56-53(39)48)37-28-30-47-46-21-8-9-26-51(46)55(52(47)33-37)38-16-10-15-35(31-38)36-27-29-45-43-19-5-4-17-41(43)42-18-6-7-20-44(42)50(45)32-36;1-2-15-37-35(13-1)36-14-3-4-16-38(36)44-28-31(23-25-39(37)44)30-11-9-12-33(27-30)49-45-21-7-5-17-40(45)41-26-24-32(29-46(41)49)34-19-10-20-43-42-18-6-8-22-47(42)50-48(34)43;1-2-12-31-29(10-1)30-11-3-4-13-32(30)38-25-27(21-23-33(31)38)43-39-18-7-5-14-34(39)35-22-20-26(24-40(35)43)28-16-9-17-37-36-15-6-8-19-41(36)44-42(28)37;;/h1-59H;2*1-33H;1-29H;1-25H;2*1H4 |
| InChIKey | HDTKHVSRTXWZAE-UHFFFAOYSA-N |
| XLogP | 83.89 |
| TPSA | 103.49 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 11 |
| Rotatable Bonds | 23 |
| Heavy Atoms | 307 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3909.78 |
| LogP ≤ 5 | 83.89 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 11 |