C288H174N6O3S3 — CID 159533266
9-(3-dibenzofuran-2-ylphenyl)-2-triphenylen-2-ylcarbazole;9-(4-dibenzofuran-2-ylphenyl)-2-triphenylen-2-ylcarbazole;9-(3-dibenzothiophen-4-ylphenyl)-2-triphenylen-2-ylcarbazole;9-(4-dibenzothiophen-2-ylphenyl)-2-triphenylen-2-ylcarbazole;9-dibenzothiophen-2-yl-2-triphenylen-2-ylcarbazole;9-[4-(8-phenyldibenzofuran-4-yl)phenyl]-2-triphenylen-2-ylcarbazole (PubChem CID 159533266) has the molecular formula C288H174N6O3S3 and a molecular weight of 3862.80 g/mol. Its IUPAC name is 9-(3-dibenzofuran-2-ylphenyl)-2-triphenylen-2-ylcarbazole;9-(4-dibenzofuran-2-ylphenyl)-2-triphenylen-2-ylcarbazole;9-(3-dibenzothiophen-4-ylphenyl)-2-triphenylen-2-ylcarbazole;9-(4-dibenzothiophen-2-ylphenyl)-2-triphenylen-2-ylcarbazole;9-dibenzothiophen-2-yl-2-triphenylen-2-ylcarbazole;9-[4-(8-phenyldibenzofuran-4-yl)phenyl]-2-triphenylen-2-ylcarbazole.
| Compound Name | 9-(3-dibenzofuran-2-ylphenyl)-2-triphenylen-2-ylcarbazole;9-(4-dibenzofuran-2-ylphenyl)-2-triphenylen-2-ylcarbazole;9-(3-dibenzothiophen-4-ylphenyl)-2-triphenylen-2-ylcarbazole;9-(4-dibenzothiophen-2-ylphenyl)-2-triphenylen-2-ylcarbazole;9-dibenzothiophen-2-yl-2-triphenylen-2-ylcarbazole;9-[4-(8-phenyldibenzofuran-4-yl)phenyl]-2-triphenylen-2-ylcarbazole |
|---|---|
| PubChem CID | 159533266 |
| Molecular Formula | C288H174N6O3S3 |
| Molecular Weight | 3862.80 g/mol |
| Exact Mass | 3859.28 |
| IUPAC Name | 9-(3-dibenzofuran-2-ylphenyl)-2-triphenylen-2-ylcarbazole;9-(4-dibenzofuran-2-ylphenyl)-2-triphenylen-2-ylcarbazole;9-(3-dibenzothiophen-4-ylphenyl)-2-triphenylen-2-ylcarbazole;9-(4-dibenzothiophen-2-ylphenyl)-2-triphenylen-2-ylcarbazole;9-dibenzothiophen-2-yl-2-triphenylen-2-ylcarbazole;9-[4-(8-phenyldibenzofuran-4-yl)phenyl]-2-triphenylen-2-ylcarbazole |
| SMILES | c1cc(-c2ccc3oc4ccccc4c3c2)cc(-n2c3ccccc3c3ccc(-c4ccc5c6ccccc6c6ccccc6c5c4)cc32)c1.c1cc(-c2cccc3c2sc2ccccc23)cc(-n2c3ccccc3c3ccc(-c4ccc5c6ccccc6c6ccccc6c5c4)cc32)c1.c1ccc(-c2ccc3oc4c(-c5ccc(-n6c7ccccc7c7ccc(-c8ccc9c%10ccccc%10c%10ccccc%10c9c8)cc76)cc5)cccc4c3c2)cc1.c1ccc2c(c1)oc1ccc(-c3ccc(-n4c5ccccc5c5ccc(-c6ccc7c8ccccc8c8ccccc8c7c6)cc54)cc3)cc12.c1ccc2c(c1)sc1ccc(-c3ccc(-n4c5ccccc5c5ccc(-c6ccc7c8ccccc8c8ccccc8c7c6)cc54)cc3)cc12.c1ccc2c(c1)sc1ccc(-n3c4ccccc4c4ccc(-c5ccc6c7ccccc7c7ccccc7c6c5)cc43)cc12 |
| InChI | InChI=1S/C54H33NO.2C48H29NO.2C48H29NS.C42H25NS/c1-2-11-34(12-3-1)36-25-30-53-50(32-36)48-19-10-18-40(54(48)56-53)35-21-26-39(27-22-35)55-51-20-9-8-17-46(51)47-29-24-38(33-52(47)55)37-23-28-45-43-15-5-4-13-41(43)42-14-6-7-16-44(42)49(45)31-37;1-2-14-37-35(12-1)36-13-3-4-15-38(36)43-27-31(20-23-39(37)43)33-21-24-41-40-16-5-7-18-45(40)49(46(41)29-33)34-11-9-10-30(26-34)32-22-25-48-44(28-32)42-17-6-8-19-47(42)50-48;1-2-11-37-35(9-1)36-10-3-4-12-38(36)43-27-32(19-24-39(37)43)33-20-25-41-40-13-5-7-15-45(40)49(46(41)29-33)34-22-17-30(18-23-34)31-21-26-48-44(28-31)42-14-6-8-16-47(42)50-48;1-2-15-37-35(13-1)36-14-3-4-16-38(36)44-28-30(23-25-39(37)44)31-24-26-41-40-17-5-7-21-45(40)49(46(41)29-31)33-12-9-11-32(27-33)34-19-10-20-43-42-18-6-8-22-47(42)50-48(34)43;1-2-11-37-35(9-1)36-10-3-4-12-38(36)43-27-32(19-24-39(37)43)33-20-25-41-40-13-5-7-15-45(40)49(46(41)29-33)34-22-17-30(18-23-34)31-21-26-48-44(28-31)42-14-6-8-16-47(42)50-48;1-2-11-31-29(9-1)30-10-3-4-12-32(30)37-23-26(17-20-33(31)37)27-18-21-35-34-13-5-7-15-39(34)43(40(35)24-27)28-19-22-42-38(25-28)36-14-6-8-16-41(36)44-42/h1-33H;4*1-29H;1-25H |
| InChIKey | MDGPSPYDFRYMDE-UHFFFAOYSA-N |
| XLogP | 82.27 |
| TPSA | 69.00 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 12 |
| Rotatable Bonds | 18 |
| Heavy Atoms | 300 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3862.80 |
| LogP ≤ 5 | 82.27 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 12 |