C139H89N13 — CID 162053417
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-(3-phenylphenyl)indolo[3,2-c]carbazole;12-(3-phenylphenyl)-5-[4-(4-phenylphenyl)quinazolin-2-yl]indolo[3,2-c]carbazole;12-(3-phenylphenyl)-5-(4-phenylquinazolin-2-yl)indolo[3,2-c]carbazole (PubChem CID 162053417) has the molecular formula C139H89N13 and a molecular weight of 1941.33 g/mol. Its IUPAC name is 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-(3-phenylphenyl)indolo[3,2-c]carbazole;12-(3-phenylphenyl)-5-[4-(4-phenylphenyl)quinazolin-2-yl]indolo[3,2-c]carbazole;12-(3-phenylphenyl)-5-(4-phenylquinazolin-2-yl)indolo[3,2-c]carbazole.
| Compound Name | 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-(3-phenylphenyl)indolo[3,2-c]carbazole;12-(3-phenylphenyl)-5-[4-(4-phenylphenyl)quinazolin-2-yl]indolo[3,2-c]carbazole;12-(3-phenylphenyl)-5-(4-phenylquinazolin-2-yl)indolo[3,2-c]carbazole |
|---|---|
| PubChem CID | 162053417 |
| Molecular Formula | C139H89N13 |
| Molecular Weight | 1941.33 g/mol |
| Exact Mass | 1939.74 |
| IUPAC Name | 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-(3-phenylphenyl)indolo[3,2-c]carbazole;12-(3-phenylphenyl)-5-[4-(4-phenylphenyl)quinazolin-2-yl]indolo[3,2-c]carbazole;12-(3-phenylphenyl)-5-(4-phenylquinazolin-2-yl)indolo[3,2-c]carbazole |
| SMILES | c1ccc(-c2ccc(-c3nc(-n4c5ccccc5c5c4ccc4c6ccccc6n(-c6cccc(-c7ccccc7)c6)c45)nc4ccccc34)cc2)cc1.c1ccc(-c2cccc(-n3c4ccccc4c4ccc5c(c6ccccc6n5-c5nc(-c6ccccc6)c6ccccc6n5)c43)c2)cc1.c1ccc(-c2cccc(-n3c4ccccc4c4ccc5c(c6ccccc6n5-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c43)c2)cc1 |
| InChI | InChI=1S/C50H32N4.C45H29N5.C44H28N4/c1-3-14-33(15-4-1)35-26-28-36(29-27-35)48-41-21-7-10-23-43(41)51-50(52-48)54-45-25-12-9-22-42(45)47-46(54)31-30-40-39-20-8-11-24-44(39)53(49(40)47)38-19-13-18-37(32-38)34-16-5-2-6-17-34;1-4-15-30(16-5-1)33-21-14-22-34(29-33)49-38-25-12-10-23-35(38)36-27-28-40-41(42(36)49)37-24-11-13-26-39(37)50(40)45-47-43(31-17-6-2-7-18-31)46-44(48-45)32-19-8-3-9-20-32;1-3-14-29(15-4-1)31-18-13-19-32(28-31)47-38-24-11-8-20-33(38)34-26-27-40-41(43(34)47)36-22-9-12-25-39(36)48(40)44-45-37-23-10-7-21-35(37)42(46-44)30-16-5-2-6-17-30/h1-32H;1-29H;1-28H |
| InChIKey | YYVSMKZPBJRFRS-UHFFFAOYSA-N |
| XLogP | 35.05 |
| TPSA | 119.81 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 13 |
| Rotatable Bonds | 14 |
| Heavy Atoms | 152 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1941.33 |
| LogP ≤ 5 | 35.05 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 13 |