C445H310N20O2S2 — CID 160658584
3-carbazol-9-yl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;9-(3-carbazol-9-ylphenyl)carbazole;9,9-dimethyl-10-[3-[3-(3-triphenylen-2-ylphenyl)phenyl]phenyl]acridine;10-[9-(3,5-diphenylphenyl)carbazol-3-yl]-9,9-dimethylacridine;10-[9-(3,5-diphenylphenyl)carbazol-3-yl]phenothiazine;10-[9-(3,5-diphenylphenyl)carbazol-3-yl]phenoxazine;methane;5-phenyl-10-(9,9'-spirobi[fluorene]-3-yl)phenazine;5-phenyl-10-[3-(3-triphenylen-2-ylphenyl)phenyl]phenazine;10-[3-[3-(3-triphenylen-2-ylphenyl)phenyl]phenyl]phenothiazine;10-[3-[3-(3-triphenylen-2-ylphenyl)phenyl]phenyl]phenoxazine (PubChem CID 160658584) has the molecular formula C445H310N20O2S2 and a molecular weight of 6033.65 g/mol. Its IUPAC name is 3-carbazol-9-yl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;9-(3-carbazol-9-ylphenyl)carbazole;9,9-dimethyl-10-[3-[3-(3-triphenylen-2-ylphenyl)phenyl]phenyl]acridine;10-[9-(3,5-diphenylphenyl)carbazol-3-yl]-9,9-dimethylacridine;10-[9-(3,5-diphenylphenyl)carbazol-3-yl]phenothiazine;10-[9-(3,5-diphenylphenyl)carbazol-3-yl]phenoxazine;methane;5-phenyl-10-(9,9'-spirobi[fluorene]-3-yl)phenazine;5-phenyl-10-[3-(3-triphenylen-2-ylphenyl)phenyl]phenazine;10-[3-[3-(3-triphenylen-2-ylphenyl)phenyl]phenyl]phenothiazine;10-[3-[3-(3-triphenylen-2-ylphenyl)phenyl]phenyl]phenoxazine.
| Compound Name | 3-carbazol-9-yl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;9-(3-carbazol-9-ylphenyl)carbazole;9,9-dimethyl-10-[3-[3-(3-triphenylen-2-ylphenyl)phenyl]phenyl]acridine;10-[9-(3,5-diphenylphenyl)carbazol-3-yl]-9,9-dimethylacridine;10-[9-(3,5-diphenylphenyl)carbazol-3-yl]phenothiazine;10-[9-(3,5-diphenylphenyl)carbazol-3-yl]phenoxazine;methane;5-phenyl-10-(9,9'-spirobi[fluorene]-3-yl)phenazine;5-phenyl-10-[3-(3-triphenylen-2-ylphenyl)phenyl]phenazine;10-[3-[3-(3-triphenylen-2-ylphenyl)phenyl]phenyl]phenothiazine;10-[3-[3-(3-triphenylen-2-ylphenyl)phenyl]phenyl]phenoxazine |
|---|---|
| PubChem CID | 160658584 |
| Molecular Formula | C445H310N20O2S2 |
| Molecular Weight | 6033.65 g/mol |
| Exact Mass | 6028.42 |
| IUPAC Name | 3-carbazol-9-yl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;9-(3-carbazol-9-ylphenyl)carbazole;9,9-dimethyl-10-[3-[3-(3-triphenylen-2-ylphenyl)phenyl]phenyl]acridine;10-[9-(3,5-diphenylphenyl)carbazol-3-yl]-9,9-dimethylacridine;10-[9-(3,5-diphenylphenyl)carbazol-3-yl]phenothiazine;10-[9-(3,5-diphenylphenyl)carbazol-3-yl]phenoxazine;methane;5-phenyl-10-(9,9'-spirobi[fluorene]-3-yl)phenazine;5-phenyl-10-[3-(3-triphenylen-2-ylphenyl)phenyl]phenazine;10-[3-[3-(3-triphenylen-2-ylphenyl)phenyl]phenyl]phenothiazine;10-[3-[3-(3-triphenylen-2-ylphenyl)phenyl]phenyl]phenoxazine |
| SMILES | C.C.C.CC1(C)c2ccccc2N(c2ccc3c(c2)c2ccccc2n3-c2cc(-c3ccccc3)cc(-c3ccccc3)c2)c2ccccc21.CC1(C)c2ccccc2N(c2cccc(-c3cccc(-c4cccc(-c5ccc6c7ccccc7c7ccccc7c6c5)c4)c3)c2)c2ccccc21.c1cc(-c2cccc(-c3ccc4c5ccccc5c5ccccc5c4c3)c2)cc(-c2cccc(N3c4ccccc4Oc4ccccc43)c2)c1.c1cc(-c2cccc(-c3ccc4c5ccccc5c5ccccc5c4c3)c2)cc(-c2cccc(N3c4ccccc4Sc4ccccc43)c2)c1.c1cc(-n2c3ccccc3c3ccccc32)cc(-n2c3ccccc3c3ccccc32)c1.c1ccc(-c2cc(-c3ccccc3)cc(-n3c4ccccc4c4cc(N5c6ccccc6Oc6ccccc65)ccc43)c2)cc1.c1ccc(-c2cc(-c3ccccc3)cc(-n3c4ccccc4c4cc(N5c6ccccc6Sc6ccccc65)ccc43)c2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)c3)n2)cc1.c1ccc(N2c3ccccc3N(c3ccc4c(c3)-c3ccccc3C43c4ccccc4-c4ccccc43)c3ccccc32)cc1.c1ccc(N2c3ccccc3N(c3cccc(-c4cccc(-c5ccc6c7ccccc7c7ccccc7c6c5)c4)c3)c3ccccc32)cc1 |
| InChI | InChI=1S/C51H37N.C48H32N2.C48H31NO.C48H31NS.C45H29N5.C45H34N2.C43H28N2.C42H28N2O.C42H28N2S.C30H20N2.3CH4/c1-51(2)47-24-7-9-26-49(47)52(50-27-10-8-25-48(50)51)40-19-13-18-38(32-40)36-16-11-14-34(30-36)35-15-12-17-37(31-35)39-28-29-45-43-22-4-3-20-41(43)42-21-5-6-23-44(42)46(45)33-39;1-2-17-37(18-3-1)49-45-24-8-10-26-47(45)50(48-27-11-9-25-46(48)49)38-19-13-16-35(31-38)33-14-12-15-34(30-33)36-28-29-43-41-22-5-4-20-39(41)40-21-6-7-23-42(40)44(43)32-36;2*1-2-20-41-39(18-1)40-19-3-4-21-42(40)44-31-37(26-27-43(41)44)35-15-10-13-33(29-35)32-12-9-14-34(28-32)36-16-11-17-38(30-36)49-45-22-5-7-24-47(45)50-48-25-8-6-23-46(48)49;1-3-14-30(15-4-1)43-46-44(31-16-5-2-6-17-31)48-45(47-43)32-18-13-19-33(28-32)49-41-25-12-9-22-37(41)38-29-34(26-27-42(38)49)50-39-23-10-7-20-35(39)36-21-8-11-24-40(36)50;1-45(2)39-20-10-13-23-43(39)46(44-24-14-11-21-40(44)45)35-25-26-42-38(30-35)37-19-9-12-22-41(37)47(42)36-28-33(31-15-5-3-6-16-31)27-34(29-36)32-17-7-4-8-18-32;1-2-14-29(15-3-1)44-39-22-10-12-24-41(39)45(42-25-13-11-23-40(42)44)30-26-27-38-34(28-30)33-18-6-9-21-37(33)43(38)35-19-7-4-16-31(35)32-17-5-8-20-36(32)43;2*1-3-13-29(14-4-1)31-25-32(30-15-5-2-6-16-30)27-34(26-31)44-37-18-8-7-17-35(37)36-28-33(23-24-38(36)44)43-39-19-9-11-21-41(39)45-42-22-12-10-20-40(42)43;1-5-16-27-23(12-1)24-13-2-6-17-28(24)31(27)21-10-9-11-22(20-21)32-29-18-7-3-14-25(29)26-15-4-8-19-30(26)32;;;/h3-33H,1-2H3;1-32H;2*1-31H;1-29H;3-30H,1-2H3;3*1-28H;1-20H;3*1H4 |
| InChIKey | RLJHPOLCMLTSRT-UHFFFAOYSA-N |
| XLogP | 123.90 |
| TPSA | 124.04 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 24 |
| Rotatable Bonds | 37 |
| Heavy Atoms | 469 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 6033.65 |
| LogP ≤ 5 | 123.90 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 24 |