C300H208N12S6 — CID 157246581
3-(3-dibenzothiophen-4-ylphenyl)-7,10-bis(9,9'-spirobi[fluorene]-2-yl)phenanthro[9,10-b]pyrazine;3-(3-dibenzothiophen-4-ylphenyl)-7,10-bis(2,4,6-trimethylphenyl)phenanthro[9,10-b]pyrazine;3-(3-dibenzothiophen-4-ylphenyl)-6,11-dimethylphenanthro[9,10-b]pyrazine;3-(3-dibenzothiophen-4-ylphenyl)-6,11-diphenylphenanthro[9,10-b]pyrazine;3-(3-dibenzothiophen-4-ylphenyl)-6,11-di(propan-2-yl)phenanthro[9,10-b]pyrazine;6,11-ditert-butyl-3-(3-dibenzothiophen-4-ylphenyl)phenanthro[9,10-b]pyrazine (PubChem CID 157246581) has the molecular formula C300H208N12S6 and a molecular weight of 4173.45 g/mol. Its IUPAC name is 3-(3-dibenzothiophen-4-ylphenyl)-7,10-bis(9,9'-spirobi[fluorene]-2-yl)phenanthro[9,10-b]pyrazine;3-(3-dibenzothiophen-4-ylphenyl)-7,10-bis(2,4,6-trimethylphenyl)phenanthro[9,10-b]pyrazine;3-(3-dibenzothiophen-4-ylphenyl)-6,11-dimethylphenanthro[9,10-b]pyrazine;3-(3-dibenzothiophen-4-ylphenyl)-6,11-diphenylphenanthro[9,10-b]pyrazine;3-(3-dibenzothiophen-4-ylphenyl)-6,11-di(propan-2-yl)phenanthro[9,10-b]pyrazine;6,11-ditert-butyl-3-(3-dibenzothiophen-4-ylphenyl)phenanthro[9,10-b]pyrazine.
| Compound Name | 3-(3-dibenzothiophen-4-ylphenyl)-7,10-bis(9,9'-spirobi[fluorene]-2-yl)phenanthro[9,10-b]pyrazine;3-(3-dibenzothiophen-4-ylphenyl)-7,10-bis(2,4,6-trimethylphenyl)phenanthro[9,10-b]pyrazine;3-(3-dibenzothiophen-4-ylphenyl)-6,11-dimethylphenanthro[9,10-b]pyrazine;3-(3-dibenzothiophen-4-ylphenyl)-6,11-diphenylphenanthro[9,10-b]pyrazine;3-(3-dibenzothiophen-4-ylphenyl)-6,11-di(propan-2-yl)phenanthro[9,10-b]pyrazine;6,11-ditert-butyl-3-(3-dibenzothiophen-4-ylphenyl)phenanthro[9,10-b]pyrazine |
|---|---|
| PubChem CID | 157246581 |
| Molecular Formula | C300H208N12S6 |
| Molecular Weight | 4173.45 g/mol |
| Exact Mass | 4169.50 |
| IUPAC Name | 3-(3-dibenzothiophen-4-ylphenyl)-7,10-bis(9,9'-spirobi[fluorene]-2-yl)phenanthro[9,10-b]pyrazine;3-(3-dibenzothiophen-4-ylphenyl)-7,10-bis(2,4,6-trimethylphenyl)phenanthro[9,10-b]pyrazine;3-(3-dibenzothiophen-4-ylphenyl)-6,11-dimethylphenanthro[9,10-b]pyrazine;3-(3-dibenzothiophen-4-ylphenyl)-6,11-diphenylphenanthro[9,10-b]pyrazine;3-(3-dibenzothiophen-4-ylphenyl)-6,11-di(propan-2-yl)phenanthro[9,10-b]pyrazine;6,11-ditert-butyl-3-(3-dibenzothiophen-4-ylphenyl)phenanthro[9,10-b]pyrazine |
| SMILES | CC(C)(C)c1ccc2c3ccc(C(C)(C)C)cc3c3nc(-c4cccc(-c5cccc6c5sc5ccccc56)c4)cnc3c2c1.CC(C)c1ccc2c3ccc(C(C)C)cc3c3nc(-c4cccc(-c5cccc6c5sc5ccccc56)c4)cnc3c2c1.Cc1cc(C)c(-c2ccc3c(c2)c2cc(-c4c(C)cc(C)cc4C)ccc2c2nc(-c4cccc(-c5cccc6c5sc5ccccc56)c4)cnc32)c(C)c1.Cc1ccc2c3ccc(C)cc3c3nc(-c4cccc(-c5cccc6c5sc5ccccc56)c4)cnc3c2c1.c1cc(-c2cnc3c4ccc(-c5ccc6c(c5)C5(c7ccccc7-c7ccccc75)c5ccccc5-6)cc4c4cc(-c5ccc6c(c5)C5(c7ccccc7-c7ccccc75)c5ccccc5-6)ccc4c3n2)cc(-c2cccc3c2sc2ccccc23)c1.c1ccc(-c2ccc3c4ccc(-c5ccccc5)cc4c4nc(-c5cccc(-c6cccc7c6sc6ccccc67)c5)cnc4c3c2)cc1 |
| InChI | InChI=1S/C84H48N2S.C52H40N2S.C46H28N2S.C42H36N2S.C40H32N2S.C36H24N2S/c1-8-28-70-56(19-1)57-20-2-9-29-71(57)83(70)74-32-12-5-23-60(74)62-39-35-51(46-76(62)83)49-37-41-65-68(44-49)69-45-50(52-36-40-63-61-24-6-13-33-75(61)84(77(63)47-52)72-30-10-3-21-58(72)59-22-4-11-31-73(59)84)38-42-66(69)81-80(65)85-48-78(86-81)54-18-15-17-53(43-54)55-26-16-27-67-64-25-7-14-34-79(64)87-82(55)67;1-29-21-31(3)48(32(4)22-29)37-17-19-41-44(26-37)45-27-38(49-33(5)23-30(2)24-34(49)6)18-20-42(45)51-50(41)53-28-46(54-51)36-12-9-11-35(25-36)39-14-10-15-43-40-13-7-8-16-47(40)55-52(39)43;1-3-11-29(12-4-1)31-21-23-36-37-24-22-32(30-13-5-2-6-14-30)27-41(37)45-44(40(36)26-31)47-28-42(48-45)34-16-9-15-33(25-34)35-18-10-19-39-38-17-7-8-20-43(38)49-46(35)39;1-41(2,3)27-17-19-30-31-20-18-28(42(4,5)6)23-35(31)39-38(34(30)22-27)43-24-36(44-39)26-12-9-11-25(21-26)29-14-10-15-33-32-13-7-8-16-37(32)45-40(29)33;1-23(2)25-15-17-30-31-18-16-26(24(3)4)21-35(31)39-38(34(30)20-25)41-22-36(42-39)28-10-7-9-27(19-28)29-12-8-13-33-32-11-5-6-14-37(32)43-40(29)33;1-21-13-15-26-27-16-14-22(2)18-31(27)35-34(30(26)17-21)37-20-32(38-35)24-8-5-7-23(19-24)25-10-6-11-29-28-9-3-4-12-33(28)39-36(25)29/h1-48H;7-28H,1-6H3;1-28H;7-24H,1-6H3;5-24H,1-4H3;3-20H,1-2H3 |
| InChIKey | AVVNIFPSMLCQSZ-UHFFFAOYSA-N |
| XLogP | 83.83 |
| TPSA | 154.68 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 18 |
| Rotatable Bonds | 20 |
| Heavy Atoms | 318 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4173.45 |
| LogP ≤ 5 | 83.83 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 18 |