C249H169N11O2S3 — CID 157387392
13-(3,5-diphenylphenyl)-7,7-dimethyl-12-phenylindolo[3,2-c]acridine;12-(3,5-diphenylphenyl)-13-phenylindolo[2,3-a]phenothiazine;12-(3,5-diphenylphenyl)-13-phenylindolo[2,3-a]phenoxazine;5-[4-(4-phenylphenyl)phenyl]-[1]benzothiolo[3,2-c]carbazole;12-(3-phenylphenyl)-5-(4-phenylphenyl)indolo[3,2-c]phenothiazine;12-(3-phenylphenyl)-5-(4-phenylphenyl)indolo[3,2-c]phenoxazine (PubChem CID 157387392) has the molecular formula C249H169N11O2S3 and a molecular weight of 3443.37 g/mol. Its IUPAC name is 13-(3,5-diphenylphenyl)-7,7-dimethyl-12-phenylindolo[3,2-c]acridine;12-(3,5-diphenylphenyl)-13-phenylindolo[2,3-a]phenothiazine;12-(3,5-diphenylphenyl)-13-phenylindolo[2,3-a]phenoxazine;5-[4-(4-phenylphenyl)phenyl]-[1]benzothiolo[3,2-c]carbazole;12-(3-phenylphenyl)-5-(4-phenylphenyl)indolo[3,2-c]phenothiazine;12-(3-phenylphenyl)-5-(4-phenylphenyl)indolo[3,2-c]phenoxazine.
| Compound Name | 13-(3,5-diphenylphenyl)-7,7-dimethyl-12-phenylindolo[3,2-c]acridine;12-(3,5-diphenylphenyl)-13-phenylindolo[2,3-a]phenothiazine;12-(3,5-diphenylphenyl)-13-phenylindolo[2,3-a]phenoxazine;5-[4-(4-phenylphenyl)phenyl]-[1]benzothiolo[3,2-c]carbazole;12-(3-phenylphenyl)-5-(4-phenylphenyl)indolo[3,2-c]phenothiazine;12-(3-phenylphenyl)-5-(4-phenylphenyl)indolo[3,2-c]phenoxazine |
|---|---|
| PubChem CID | 157387392 |
| Molecular Formula | C249H169N11O2S3 |
| Molecular Weight | 3443.37 g/mol |
| Exact Mass | 3440.26 |
| IUPAC Name | 13-(3,5-diphenylphenyl)-7,7-dimethyl-12-phenylindolo[3,2-c]acridine;12-(3,5-diphenylphenyl)-13-phenylindolo[2,3-a]phenothiazine;12-(3,5-diphenylphenyl)-13-phenylindolo[2,3-a]phenoxazine;5-[4-(4-phenylphenyl)phenyl]-[1]benzothiolo[3,2-c]carbazole;12-(3-phenylphenyl)-5-(4-phenylphenyl)indolo[3,2-c]phenothiazine;12-(3-phenylphenyl)-5-(4-phenylphenyl)indolo[3,2-c]phenoxazine |
| SMILES | CC1(C)c2ccccc2N(c2ccccc2)c2c1ccc1c3ccccc3n(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)c21.c1ccc(-c2cc(-c3ccccc3)cc(-n3c4ccccc4c4ccc5c(c43)N(c3ccccc3)c3ccccc3O5)c2)cc1.c1ccc(-c2cc(-c3ccccc3)cc(-n3c4ccccc4c4ccc5c(c43)N(c3ccccc3)c3ccccc3S5)c2)cc1.c1ccc(-c2ccc(-c3ccc(-n4c5ccccc5c5c6sc7ccccc7c6ccc54)cc3)cc2)cc1.c1ccc(-c2ccc(N3c4ccccc4Oc4c3ccc3c5ccccc5n(-c5cccc(-c6ccccc6)c5)c43)cc2)cc1.c1ccc(-c2ccc(N3c4ccccc4Sc4c3ccc3c5ccccc5n(-c5cccc(-c6ccccc6)c5)c43)cc2)cc1 |
| InChI | InChI=1S/C45H34N2.2C42H28N2O.2C42H28N2S.C36H23NS/c1-45(2)39-23-13-15-25-42(39)46(35-20-10-5-11-21-35)44-40(45)27-26-38-37-22-12-14-24-41(37)47(43(38)44)36-29-33(31-16-6-3-7-17-31)28-34(30-36)32-18-8-4-9-19-32;1-4-14-29(15-5-1)31-26-32(30-16-6-2-7-17-30)28-34(27-31)44-37-21-11-10-20-35(37)36-24-25-40-42(41(36)44)43(33-18-8-3-9-19-33)38-22-12-13-23-39(38)45-40;1-3-12-29(13-4-1)31-22-24-33(25-23-31)43-38-20-9-10-21-40(38)45-42-39(43)27-26-36-35-18-7-8-19-37(35)44(41(36)42)34-17-11-16-32(28-34)30-14-5-2-6-15-30;1-4-14-29(15-5-1)31-26-32(30-16-6-2-7-17-30)28-34(27-31)44-37-21-11-10-20-35(37)36-24-25-40-42(41(36)44)43(33-18-8-3-9-19-33)38-22-12-13-23-39(38)45-40;1-3-12-29(13-4-1)31-22-24-33(25-23-31)43-38-20-9-10-21-40(38)45-42-39(43)27-26-36-35-18-7-8-19-37(35)44(41(36)42)34-17-11-16-32(28-34)30-14-5-2-6-15-30;1-2-8-24(9-3-1)25-14-16-26(17-15-25)27-18-20-28(21-19-27)37-32-12-6-4-11-31(32)35-33(37)23-22-30-29-10-5-7-13-34(29)38-36(30)35/h3-30H,1-2H3;4*1-28H;1-23H |
| InChIKey | BLPBUKROCQDVPU-UHFFFAOYSA-N |
| XLogP | 70.20 |
| TPSA | 64.24 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 16 |
| Rotatable Bonds | 23 |
| Heavy Atoms | 265 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3443.37 |
| LogP ≤ 5 | 70.20 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 16 |