C414H269N13S3 — CID 158925061
2-[4-[9,10-bis(3,5-diphenylphenyl)anthracen-2-yl]phenyl]-1-phenylbenzimidazole;2-[4-[9,10-bis(2-phenylphenyl)anthracen-2-yl]phenyl]-1,3-benzothiazole;2-[4-[9,10-bis(2-phenylphenyl)anthracen-2-yl]phenyl]-1-phenylbenzimidazole;2-[4-(9,10-dinaphthalen-1-ylanthracen-2-yl)phenyl]-1,3-benzothiazole;2-[4-(9,10-dinaphthalen-1-ylanthracen-2-yl)phenyl]-1-phenylbenzimidazole;2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-1-phenylbenzimidazole;2-[4-(9,10-diphenylanthracen-2-yl)phenyl]-1,3-benzothiazole;2-[4-(9,10-diphenylanthracen-2-yl)phenyl]-1-phenylbenzimidazole (PubChem CID 158925061) has the molecular formula C414H269N13S3 and a molecular weight of 5522.00 g/mol. Its IUPAC name is 2-[4-[9,10-bis(3,5-diphenylphenyl)anthracen-2-yl]phenyl]-1-phenylbenzimidazole;2-[4-[9,10-bis(2-phenylphenyl)anthracen-2-yl]phenyl]-1,3-benzothiazole;2-[4-[9,10-bis(2-phenylphenyl)anthracen-2-yl]phenyl]-1-phenylbenzimidazole;2-[4-(9,10-dinaphthalen-1-ylanthracen-2-yl)phenyl]-1,3-benzothiazole;2-[4-(9,10-dinaphthalen-1-ylanthracen-2-yl)phenyl]-1-phenylbenzimidazole;2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-1-phenylbenzimidazole;2-[4-(9,10-diphenylanthracen-2-yl)phenyl]-1,3-benzothiazole;2-[4-(9,10-diphenylanthracen-2-yl)phenyl]-1-phenylbenzimidazole.
| Compound Name | 2-[4-[9,10-bis(3,5-diphenylphenyl)anthracen-2-yl]phenyl]-1-phenylbenzimidazole;2-[4-[9,10-bis(2-phenylphenyl)anthracen-2-yl]phenyl]-1,3-benzothiazole;2-[4-[9,10-bis(2-phenylphenyl)anthracen-2-yl]phenyl]-1-phenylbenzimidazole;2-[4-(9,10-dinaphthalen-1-ylanthracen-2-yl)phenyl]-1,3-benzothiazole;2-[4-(9,10-dinaphthalen-1-ylanthracen-2-yl)phenyl]-1-phenylbenzimidazole;2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-1-phenylbenzimidazole;2-[4-(9,10-diphenylanthracen-2-yl)phenyl]-1,3-benzothiazole;2-[4-(9,10-diphenylanthracen-2-yl)phenyl]-1-phenylbenzimidazole |
|---|---|
| PubChem CID | 158925061 |
| Molecular Formula | C414H269N13S3 |
| Molecular Weight | 5522.00 g/mol |
| Exact Mass | 5517.06 |
| IUPAC Name | 2-[4-[9,10-bis(3,5-diphenylphenyl)anthracen-2-yl]phenyl]-1-phenylbenzimidazole;2-[4-[9,10-bis(2-phenylphenyl)anthracen-2-yl]phenyl]-1,3-benzothiazole;2-[4-[9,10-bis(2-phenylphenyl)anthracen-2-yl]phenyl]-1-phenylbenzimidazole;2-[4-(9,10-dinaphthalen-1-ylanthracen-2-yl)phenyl]-1,3-benzothiazole;2-[4-(9,10-dinaphthalen-1-ylanthracen-2-yl)phenyl]-1-phenylbenzimidazole;2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-1-phenylbenzimidazole;2-[4-(9,10-diphenylanthracen-2-yl)phenyl]-1,3-benzothiazole;2-[4-(9,10-diphenylanthracen-2-yl)phenyl]-1-phenylbenzimidazole |
| SMILES | c1ccc(-c2c3ccccc3c(-c3ccccc3)c3cc(-c4ccc(-c5nc6ccccc6n5-c5ccccc5)cc4)ccc23)cc1.c1ccc(-c2c3ccccc3c(-c3ccccc3)c3cc(-c4ccc(-c5nc6ccccc6s5)cc4)ccc23)cc1.c1ccc(-c2cc(-c3ccccc3)cc(-c3c4ccccc4c(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)c4cc(-c5ccc(-c6nc7ccccc7n6-c6ccccc6)cc5)ccc34)c2)cc1.c1ccc(-c2ccccc2-c2c3ccccc3c(-c3ccccc3-c3ccccc3)c3cc(-c4ccc(-c5nc6ccccc6n5-c5ccccc5)cc4)ccc23)cc1.c1ccc(-c2ccccc2-c2c3ccccc3c(-c3ccccc3-c3ccccc3)c3cc(-c4ccc(-c5nc6ccccc6s5)cc4)ccc23)cc1.c1ccc(-n2c(-c3ccc(-c4ccc5c(-c6ccc7ccccc7c6)c6ccccc6c(-c6ccc7ccccc7c6)c5c4)cc3)nc3ccccc32)cc1.c1ccc(-n2c(-c3ccc(-c4ccc5c(-c6cccc7ccccc67)c6ccccc6c(-c6cccc7ccccc67)c5c4)cc3)nc3ccccc32)cc1.c1ccc2c(-c3c4ccccc4c(-c4cccc5ccccc45)c4cc(-c5ccc(-c6nc7ccccc7s6)cc5)ccc34)cccc2c1 |
| InChI | InChI=1S/C69H46N2.C57H38N2.2C53H34N2.C51H33NS.C47H29NS.C45H30N2.C39H25NS/c1-6-20-47(21-7-1)54-40-55(48-22-8-2-9-23-48)43-58(42-54)67-61-30-16-17-31-62(61)68(59-44-56(49-24-10-3-11-25-49)41-57(45-59)50-26-12-4-13-27-50)64-46-53(38-39-63(64)67)51-34-36-52(37-35-51)69-70-65-32-18-19-33-66(65)71(69)60-28-14-5-15-29-60;1-4-18-40(19-5-1)45-24-10-12-26-47(45)55-49-28-14-15-29-50(49)56(48-27-13-11-25-46(48)41-20-6-2-7-21-41)52-38-43(36-37-51(52)55)39-32-34-42(35-33-39)57-58-53-30-16-17-31-54(53)59(57)44-22-8-3-9-23-44;1-2-18-40(19-3-1)55-50-27-11-10-26-49(50)54-53(55)38-30-28-35(29-31-38)39-32-33-47-48(34-39)52(44-25-13-17-37-15-5-7-21-42(37)44)46-23-9-8-22-45(46)51(47)43-24-12-16-36-14-4-6-20-41(36)43;1-2-16-44(17-3-1)55-50-21-11-10-20-49(50)54-53(55)38-26-22-37(23-27-38)41-30-31-47-48(34-41)52(43-29-25-36-13-5-7-15-40(36)33-43)46-19-9-8-18-45(46)51(47)42-28-24-35-12-4-6-14-39(35)32-42;1-3-15-35(16-4-1)39-19-7-9-21-41(39)49-43-23-11-12-24-44(43)50(42-22-10-8-20-40(42)36-17-5-2-6-18-36)46-33-38(31-32-45(46)49)34-27-29-37(30-28-34)51-52-47-25-13-14-26-48(47)53-51;1-3-15-35-31(11-1)13-9-19-37(35)45-39-17-5-6-18-40(39)46(38-20-10-14-32-12-2-4-16-36(32)38)42-29-34(27-28-41(42)45)30-23-25-33(26-24-30)47-48-43-21-7-8-22-44(43)49-47;1-4-14-32(15-5-1)43-37-20-10-11-21-38(37)44(33-16-6-2-7-17-33)40-30-35(28-29-39(40)43)31-24-26-34(27-25-31)45-46-41-22-12-13-23-42(41)47(45)36-18-8-3-9-19-36;1-3-11-27(12-4-1)37-31-15-7-8-16-32(31)38(28-13-5-2-6-14-28)34-25-30(23-24-33(34)37)26-19-21-29(22-20-26)39-40-35-17-9-10-18-36(35)41-39/h1-46H;1-38H;2*1-34H;1-33H;1-29H;1-30H;1-25H |
| InChIKey | JIIGSWPSPSWJEU-UHFFFAOYSA-N |
| XLogP | 114.07 |
| TPSA | 127.77 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 16 |
| Rotatable Bonds | 45 |
| Heavy Atoms | 430 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 5522.00 |
| LogP ≤ 5 | 114.07 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 16 |