C241H225B4N5O4 — CID 158446999
9,9-bis(2,4,6-trimethylphenyl)-10-[10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-3-yl]acridine;2,7-dimethyl-9,9-diphenyl-10-[10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-3-yl]acridine;10-[3-(9,9-diphenylacridin-10-yl)-10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-7-yl]-9,9-diphenylacridine;9,9-diphenyl-10-[10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-3-yl]acridine (PubChem CID 158446999) has the molecular formula C241H225B4N5O4 and a molecular weight of 3298.73 g/mol. Its IUPAC name is 9,9-bis(2,4,6-trimethylphenyl)-10-[10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-3-yl]acridine;2,7-dimethyl-9,9-diphenyl-10-[10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-3-yl]acridine;10-[3-(9,9-diphenylacridin-10-yl)-10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-7-yl]-9,9-diphenylacridine;9,9-diphenyl-10-[10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-3-yl]acridine.
| Compound Name | 9,9-bis(2,4,6-trimethylphenyl)-10-[10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-3-yl]acridine;2,7-dimethyl-9,9-diphenyl-10-[10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-3-yl]acridine;10-[3-(9,9-diphenylacridin-10-yl)-10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-7-yl]-9,9-diphenylacridine;9,9-diphenyl-10-[10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-3-yl]acridine |
|---|---|
| PubChem CID | 158446999 |
| Molecular Formula | C241H225B4N5O4 |
| Molecular Weight | 3298.73 g/mol |
| Exact Mass | 3296.79 |
| IUPAC Name | 9,9-bis(2,4,6-trimethylphenyl)-10-[10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-3-yl]acridine;2,7-dimethyl-9,9-diphenyl-10-[10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-3-yl]acridine;10-[3-(9,9-diphenylacridin-10-yl)-10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-7-yl]-9,9-diphenylacridine;9,9-diphenyl-10-[10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-3-yl]acridine |
| SMILES | CC(C)c1cc(C(C)C)c(B2c3ccc(N4c5ccccc5C(c5ccccc5)(c5ccccc5)c5ccccc54)cc3Oc3cc(N4c5ccccc5C(c5ccccc5)(c5ccccc5)c5ccccc54)ccc32)c(C(C)C)c1.CC(C)c1cc(C(C)C)c(B2c3ccccc3Oc3cc(N4c5ccccc5C(c5ccccc5)(c5ccccc5)c5ccccc54)ccc32)c(C(C)C)c1.Cc1cc(C)c(C2(c3c(C)cc(C)cc3C)c3ccccc3N(c3ccc4c(c3)Oc3ccccc3B4c3c(C(C)C)cc(C(C)C)cc3C(C)C)c3ccccc32)c(C)c1.Cc1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1cc(C)ccc1N2c1ccc2c(c1)Oc1ccccc1B2c1c(C(C)C)cc(C(C)C)cc1C(C)C |
| InChI | InChI=1S/C77H65BN2O.C58H60BNO.C54H52BNO.C52H48BNO/c1-51(2)54-47-61(52(3)4)75(62(48-54)53(5)6)78-67-45-43-59(79-69-39-23-19-35-63(69)76(55-27-11-7-12-28-55,56-29-13-8-14-30-56)64-36-20-24-40-70(64)79)49-73(67)81-74-50-60(44-46-68(74)78)80-71-41-25-21-37-65(71)77(57-31-15-9-16-32-57,58-33-17-10-18-34-58)66-38-22-26-42-72(66)80;1-34(2)43-31-45(35(3)4)57(46(32-43)36(5)6)59-49-21-15-18-24-53(49)61-54-33-44(25-26-50(54)59)60-51-22-16-13-19-47(51)58(48-20-14-17-23-52(48)60,55-39(9)27-37(7)28-40(55)10)56-41(11)29-38(8)30-42(56)12;1-34(2)39-31-43(35(3)4)53(44(32-39)36(5)6)55-47-21-15-16-22-51(47)57-52-33-42(25-26-48(52)55)56-49-27-23-37(7)29-45(49)54(40-17-11-9-12-18-40,41-19-13-10-14-20-41)46-30-38(8)24-28-50(46)56;1-34(2)37-31-41(35(3)4)51(42(32-37)36(5)6)53-45-25-15-18-28-49(45)55-50-33-40(29-30-46(50)53)54-47-26-16-13-23-43(47)52(38-19-9-7-10-20-38,39-21-11-8-12-22-39)44-24-14-17-27-48(44)54/h7-53H,1-6H3;13-36H,1-12H3;9-36H,1-8H3;7-36H,1-6H3 |
| InChIKey | HDMZAEXYTLBIDN-UHFFFAOYSA-N |
| XLogP | 56.01 |
| TPSA | 53.12 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 9 |
| Rotatable Bonds | 31 |
| Heavy Atoms | 254 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3298.73 |
| LogP ≤ 5 | 56.01 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 9 |
| Structural Alerts | {'alert_name': 'heavy_metal', 'substructure': 'N/A'} |
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