C183H151N15 — CID 159409871
2,9-dibutyl-12-phenyl-5-[4-(3-phenylphenyl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole;2,9-dibutyl-12-phenyl-5-[4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole;2,9-ditert-butyl-12-phenyl-5-[4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole (PubChem CID 159409871) has the molecular formula C183H151N15 and a molecular weight of 2560.33 g/mol. Its IUPAC name is 2,9-dibutyl-12-phenyl-5-[4-(3-phenylphenyl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole;2,9-dibutyl-12-phenyl-5-[4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole;2,9-ditert-butyl-12-phenyl-5-[4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole.
| Compound Name | 2,9-dibutyl-12-phenyl-5-[4-(3-phenylphenyl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole;2,9-dibutyl-12-phenyl-5-[4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole;2,9-ditert-butyl-12-phenyl-5-[4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole |
|---|---|
| PubChem CID | 159409871 |
| Molecular Formula | C183H151N15 |
| Molecular Weight | 2560.33 g/mol |
| Exact Mass | 2558.23 |
| IUPAC Name | 2,9-dibutyl-12-phenyl-5-[4-(3-phenylphenyl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole;2,9-dibutyl-12-phenyl-5-[4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole;2,9-ditert-butyl-12-phenyl-5-[4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole |
| SMILES | CC(C)(C)c1ccc2c(c1)c1c(ccc3c4cc(C(C)(C)C)ccc4n(-c4ccccc4)c31)n2-c1nc(-c2ccccc2)nc(-c2ccc(-c3cccc(-c4ccccc4)c3)cc2)n1.CCCCc1ccc2c(c1)c1c(ccc3c4cc(CCCC)ccc4n(-c4ccccc4)c31)n2-c1nc(-c2ccc(-c3cccc(-c4ccccc4)c3)cc2)nc(-c2cccc(-c3ccccc3)c2)n1.CCCCc1ccc2c(c1)c1c(ccc3c4cc(CCCC)ccc4n(-c4ccccc4)c31)n2-c1nc(-c2ccccc2)nc(-c2ccc(-c3cccc(-c4ccccc4)c3)cc2)n1 |
| InChI | InChI=1S/C65H53N5.2C59H49N5/c1-3-5-18-44-30-37-58-56(40-44)55-36-39-60-61(62(55)69(58)54-28-14-9-15-29-54)57-41-45(19-6-4-2)31-38-59(57)70(60)65-67-63(66-64(68-65)53-27-17-26-52(43-53)47-22-12-8-13-23-47)49-34-32-48(33-35-49)51-25-16-24-50(42-51)46-20-10-7-11-21-46;1-58(2,3)44-29-32-50-48(36-44)47-31-34-52-53(54(47)63(50)46-23-14-9-15-24-46)49-37-45(59(4,5)6)30-33-51(49)64(52)57-61-55(40-19-12-8-13-20-40)60-56(62-57)41-27-25-39(26-28-41)43-22-16-21-42(35-43)38-17-10-7-11-18-38;1-3-5-17-40-27-34-52-50(37-40)49-33-36-54-55(56(49)63(52)48-25-14-9-15-26-48)51-38-41(18-6-4-2)28-35-53(51)64(54)59-61-57(44-21-12-8-13-22-44)60-58(62-59)45-31-29-43(30-32-45)47-24-16-23-46(39-47)42-19-10-7-11-20-42/h7-17,20-43H,3-6,18-19H2,1-2H3;7-37H,1-6H3;7-16,19-39H,3-6,17-18H2,1-2H3 |
| InChIKey | LOLDFJXZULPHMN-UHFFFAOYSA-N |
| XLogP | 47.83 |
| TPSA | 145.59 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 15 |
| Rotatable Bonds | 31 |
| Heavy Atoms | 198 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2560.33 |
| LogP ≤ 5 | 47.83 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 15 |