C238H144N12OS6 — CID 159326715
5-dibenzothiophen-2-ylspiro[chromeno[3,2-c]carbazole-8,9'-fluorene];5'-dibenzothiophen-3-ylspiro[fluorene-9,8'-thiochromeno[3,2-c]carbazole];5'-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]spiro[fluorene-9,8'-thiochromeno[3,2-c]carbazole];5'-(4,6-diphenylpyrimidin-2-yl)spiro[fluorene-9,8'-thiochromeno[3,2-c]carbazole];5'-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]spiro[fluorene-9,8'-thiochromeno[3,2-c]carbazole] (PubChem CID 159326715) has the molecular formula C238H144N12OS6 and a molecular weight of 3380.25 g/mol. Its IUPAC name is 5-dibenzothiophen-2-ylspiro[chromeno[3,2-c]carbazole-8,9'-fluorene];5'-dibenzothiophen-3-ylspiro[fluorene-9,8'-thiochromeno[3,2-c]carbazole];5'-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]spiro[fluorene-9,8'-thiochromeno[3,2-c]carbazole];5'-(4,6-diphenylpyrimidin-2-yl)spiro[fluorene-9,8'-thiochromeno[3,2-c]carbazole];5'-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]spiro[fluorene-9,8'-thiochromeno[3,2-c]carbazole].
| Compound Name | 5-dibenzothiophen-2-ylspiro[chromeno[3,2-c]carbazole-8,9'-fluorene];5'-dibenzothiophen-3-ylspiro[fluorene-9,8'-thiochromeno[3,2-c]carbazole];5'-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]spiro[fluorene-9,8'-thiochromeno[3,2-c]carbazole];5'-(4,6-diphenylpyrimidin-2-yl)spiro[fluorene-9,8'-thiochromeno[3,2-c]carbazole];5'-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]spiro[fluorene-9,8'-thiochromeno[3,2-c]carbazole] |
|---|---|
| PubChem CID | 159326715 |
| Molecular Formula | C238H144N12OS6 |
| Molecular Weight | 3380.25 g/mol |
| Exact Mass | 3376.99 |
| IUPAC Name | 5-dibenzothiophen-2-ylspiro[chromeno[3,2-c]carbazole-8,9'-fluorene];5'-dibenzothiophen-3-ylspiro[fluorene-9,8'-thiochromeno[3,2-c]carbazole];5'-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]spiro[fluorene-9,8'-thiochromeno[3,2-c]carbazole];5'-(4,6-diphenylpyrimidin-2-yl)spiro[fluorene-9,8'-thiochromeno[3,2-c]carbazole];5'-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]spiro[fluorene-9,8'-thiochromeno[3,2-c]carbazole] |
| SMILES | c1ccc(-c2cc(-c3cccc(-n4c5ccccc5c5c6c(ccc54)C4(c5ccccc5S6)c5ccccc5-c5ccccc54)c3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4c5c(ccc43)C3(c4ccccc4S5)c4ccccc4-c4ccccc43)n2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-n4c5ccccc5c5c6c(ccc54)C4(c5ccccc5S6)c5ccccc5-c5ccccc54)n3)cc2)cc1.c1ccc2c(c1)Oc1c(ccc3c1c1ccccc1n3-c1ccc3sc4ccccc4c3c1)C21c2ccccc2-c2ccccc21.c1ccc2c(c1)Sc1c(ccc3c1c1ccccc1n3-c1ccc3c(c1)sc1ccccc13)C21c2ccccc2-c2ccccc21 |
| InChI | InChI=1S/C53H33N3S.C52H32N4S.C47H29N3S.C43H25NOS.C43H25NS2/c1-3-16-34(17-4-1)45-33-46(55-52(54-45)35-18-5-2-6-19-35)36-20-15-21-37(32-36)56-47-28-13-9-24-40(47)50-48(56)31-30-44-51(50)57-49-29-14-12-27-43(49)53(44)41-25-10-7-22-38(41)39-23-8-11-26-42(39)53;1-3-15-33(16-4-1)34-27-29-36(30-28-34)50-53-49(35-17-5-2-6-18-35)54-51(55-50)56-44-25-13-9-21-39(44)47-45(56)32-31-43-48(47)57-46-26-14-12-24-42(46)52(43)40-22-10-7-19-37(40)38-20-8-11-23-41(38)52;1-3-15-30(16-4-1)39-29-40(31-17-5-2-6-18-31)49-46(48-39)50-41-25-13-9-21-34(41)44-42(50)28-27-38-45(44)51-43-26-14-12-24-37(43)47(38)35-22-10-7-19-32(35)33-20-8-11-23-36(33)47;1-5-15-32-27(11-1)28-12-2-6-16-33(28)43(32)34-17-7-9-19-38(34)45-42-35(43)22-23-37-41(42)30-14-3-8-18-36(30)44(37)26-21-24-40-31(25-26)29-13-4-10-20-39(29)46-40;1-5-15-32-27(11-1)28-12-2-6-16-33(28)43(32)34-17-7-10-20-39(34)46-42-35(43)23-24-37-41(42)31-14-3-8-18-36(31)44(37)26-21-22-30-29-13-4-9-19-38(29)45-40(30)25-26/h1-33H;1-32H;1-29H;2*1-25H |
| InChIKey | LELMEDGSPWKFKY-UHFFFAOYSA-N |
| XLogP | 61.53 |
| TPSA | 124.11 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 19 |
| Rotatable Bonds | 13 |
| Heavy Atoms | 257 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3380.25 |
| LogP ≤ 5 | 61.53 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 19 |