C186H123N3OS2 — CID 158391384
1-dibenzofuran-4-yl-2-phenyl-3,5-bis(4-phenylphenyl)indole;1-[4-(6-phenyldibenzothiophen-4-yl)phenyl]-3,5-bis[4-(4-phenylphenyl)phenyl]indole;1-[4-(8-phenyldibenzothiophen-2-yl)phenyl]-3,5-bis[4-(4-phenylphenyl)phenyl]indole (PubChem CID 158391384) has the molecular formula C186H123N3OS2 and a molecular weight of 2480.18 g/mol. Its IUPAC name is 1-dibenzofuran-4-yl-2-phenyl-3,5-bis(4-phenylphenyl)indole;1-[4-(6-phenyldibenzothiophen-4-yl)phenyl]-3,5-bis[4-(4-phenylphenyl)phenyl]indole;1-[4-(8-phenyldibenzothiophen-2-yl)phenyl]-3,5-bis[4-(4-phenylphenyl)phenyl]indole.
| Compound Name | 1-dibenzofuran-4-yl-2-phenyl-3,5-bis(4-phenylphenyl)indole;1-[4-(6-phenyldibenzothiophen-4-yl)phenyl]-3,5-bis[4-(4-phenylphenyl)phenyl]indole;1-[4-(8-phenyldibenzothiophen-2-yl)phenyl]-3,5-bis[4-(4-phenylphenyl)phenyl]indole |
|---|---|
| PubChem CID | 158391384 |
| Molecular Formula | C186H123N3OS2 |
| Molecular Weight | 2480.18 g/mol |
| Exact Mass | 2477.91 |
| IUPAC Name | 1-dibenzofuran-4-yl-2-phenyl-3,5-bis(4-phenylphenyl)indole;1-[4-(6-phenyldibenzothiophen-4-yl)phenyl]-3,5-bis[4-(4-phenylphenyl)phenyl]indole;1-[4-(8-phenyldibenzothiophen-2-yl)phenyl]-3,5-bis[4-(4-phenylphenyl)phenyl]indole |
| SMILES | c1ccc(-c2ccc(-c3ccc(-c4ccc5c(c4)c(-c4ccc(-c6ccc(-c7ccccc7)cc6)cc4)cn5-c4ccc(-c5ccc6sc7ccc(-c8ccccc8)cc7c6c5)cc4)cc3)cc2)cc1.c1ccc(-c2ccc(-c3ccc(-c4ccc5c(c4)c(-c4ccc(-c6ccc(-c7ccccc7)cc6)cc4)cn5-c4ccc(-c5cccc6c5sc5c(-c7ccccc7)cccc56)cc4)cc3)cc2)cc1.c1ccc(-c2ccc(-c3ccc4c(c3)c(-c3ccc(-c5ccccc5)cc3)c(-c3ccccc3)n4-c3cccc4c3oc3ccccc34)cc2)cc1 |
| InChI | InChI=1S/2C68H45NS.C50H33NO/c1-4-12-46(13-5-1)48-22-26-50(27-23-48)52-30-32-54(33-31-52)58-40-43-66-64(44-58)65(57-36-34-53(35-37-57)51-28-24-49(25-29-51)47-14-6-2-7-15-47)45-69(66)59-41-38-56(39-42-59)61-19-11-21-63-62-20-10-18-60(67(62)70-68(61)63)55-16-8-3-9-17-55;1-4-10-46(11-5-1)49-16-20-51(21-17-49)53-24-26-55(27-25-53)58-34-39-66-62(42-58)65(57-30-28-54(29-31-57)52-22-18-50(19-23-52)47-12-6-2-7-13-47)45-69(66)61-37-32-56(33-38-61)60-36-41-68-64(44-60)63-43-59(35-40-67(63)70-68)48-14-8-3-9-15-48;1-4-13-34(14-5-1)36-23-25-38(26-24-36)41-31-32-45-44(33-41)48(39-29-27-37(28-30-39)35-15-6-2-7-16-35)49(40-17-8-3-9-18-40)51(45)46-21-12-20-43-42-19-10-11-22-47(42)52-50(43)46/h2*1-45H;1-33H |
| InChIKey | GWZVUDCFDMMRRX-UHFFFAOYSA-N |
| XLogP | 52.53 |
| TPSA | 27.93 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 6 |
| Rotatable Bonds | 24 |
| Heavy Atoms | 192 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2480.18 |
| LogP ≤ 5 | 52.53 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 6 |