C161H115N15 — CID 165067145
2,10-dibutyl-7-phenyl-5-[4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[2,3-b]carbazole;7-phenyl-5-[4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[2,3-b]carbazole;7-phenyl-5-[4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[2,3-b]carbazole (PubChem CID 165067145) has the molecular formula C161H115N15 and a molecular weight of 2259.80 g/mol. Its IUPAC name is 2,10-dibutyl-7-phenyl-5-[4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[2,3-b]carbazole;7-phenyl-5-[4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[2,3-b]carbazole;7-phenyl-5-[4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[2,3-b]carbazole.
| Compound Name | 2,10-dibutyl-7-phenyl-5-[4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[2,3-b]carbazole;7-phenyl-5-[4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[2,3-b]carbazole;7-phenyl-5-[4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[2,3-b]carbazole |
|---|---|
| PubChem CID | 165067145 |
| Molecular Formula | C161H115N15 |
| Molecular Weight | 2259.80 g/mol |
| Exact Mass | 2257.95 |
| IUPAC Name | 2,10-dibutyl-7-phenyl-5-[4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[2,3-b]carbazole;7-phenyl-5-[4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[2,3-b]carbazole;7-phenyl-5-[4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[2,3-b]carbazole |
| SMILES | CCCCc1ccc2c(c1)c1cc3c4cc(CCCC)ccc4n(-c4nc(-c5ccccc5)nc(-c5cccc(-c6cccc(-c7ccccc7)c6)c5)n4)c3cc1n2-c1ccccc1.c1ccc(-c2ccc(-c3ccc(-c4nc(-c5ccccc5)nc(-n5c6ccccc6c6cc7c8ccccc8n(-c8ccccc8)c7cc65)n4)cc3)cc2)cc1.c1ccc(-c2cccc(-c3cccc(-c4nc(-c5ccccc5)nc(-n5c6ccccc6c6cc7c8ccccc8n(-c8ccccc8)c7cc65)n4)c3)c2)cc1 |
| InChI | InChI=1S/C59H49N5.2C51H33N5/c1-3-5-18-40-30-32-53-49(34-40)51-38-52-50-35-41(19-6-4-2)31-33-54(50)64(56(52)39-55(51)63(53)48-28-14-9-15-29-48)59-61-57(43-22-12-8-13-23-43)60-58(62-59)47-27-17-26-46(37-47)45-25-16-24-44(36-45)42-20-10-7-11-21-42;1-4-16-34(17-5-1)36-20-14-21-37(30-36)38-22-15-23-39(31-38)50-52-49(35-18-6-2-7-19-35)53-51(54-50)56-46-29-13-11-27-42(46)44-32-43-41-26-10-12-28-45(41)55(47(43)33-48(44)56)40-24-8-3-9-25-40;1-4-14-34(15-5-1)35-24-26-36(27-25-35)37-28-30-39(31-29-37)50-52-49(38-16-6-2-7-17-38)53-51(54-50)56-46-23-13-11-21-42(46)44-32-43-41-20-10-12-22-45(41)55(47(43)33-48(44)56)40-18-8-3-9-19-40/h7-17,20-39H,3-6,18-19H2,1-2H3;2*1-33H |
| InChIKey | SDRJPHPZHCKXFF-UHFFFAOYSA-N |
| XLogP | 40.89 |
| TPSA | 145.59 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 15 |
| Rotatable Bonds | 24 |
| Heavy Atoms | 176 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2259.80 |
| LogP ≤ 5 | 40.89 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 15 |