C401H268N12O5SSi — CID 157160809
10-[9-(4-anthracen-9-ylphenyl)-7-naphthalen-1-ylcarbazol-3-yl]-7-(3-phenylphenyl)benzo[c]phenoxazine;9-[9,9-bis(4-methylphenyl)-10-naphthalen-1-ylacridin-2-yl]-7-(3-phenylphenyl)benzo[c]phenoxazine;9-[6-(4-butylphenyl)-9-(3-pyren-1-ylphenyl)carbazol-3-yl]-7-(3-phenylphenyl)benzo[c]phenoxazine;9-(5,5-diphenylnaphtho[2,3-b][1]benzosilol-2-yl)-7-(3,5-diphenylphenyl)-2,3-dimethylbenzo[c]phenoxazine;6-[12-(3,5-diphenylphenyl)benzo[b]phenothiazin-2-yl]-9-naphthalen-2-yl-N,N-diphenylcarbazol-3-amine;7-naphthalen-2-yl-9-(6-phenyl-9-triphenylen-2-ylcarbazol-3-yl)benzo[c]phenoxazine (PubChem CID 157160809) has the molecular formula C401H268N12O5SSi and a molecular weight of 5394.79 g/mol. Its IUPAC name is 10-[9-(4-anthracen-9-ylphenyl)-7-naphthalen-1-ylcarbazol-3-yl]-7-(3-phenylphenyl)benzo[c]phenoxazine;9-[9,9-bis(4-methylphenyl)-10-naphthalen-1-ylacridin-2-yl]-7-(3-phenylphenyl)benzo[c]phenoxazine;9-[6-(4-butylphenyl)-9-(3-pyren-1-ylphenyl)carbazol-3-yl]-7-(3-phenylphenyl)benzo[c]phenoxazine;9-(5,5-diphenylnaphtho[2,3-b][1]benzosilol-2-yl)-7-(3,5-diphenylphenyl)-2,3-dimethylbenzo[c]phenoxazine;6-[12-(3,5-diphenylphenyl)benzo[b]phenothiazin-2-yl]-9-naphthalen-2-yl-N,N-diphenylcarbazol-3-amine;7-naphthalen-2-yl-9-(6-phenyl-9-triphenylen-2-ylcarbazol-3-yl)benzo[c]phenoxazine.
| Compound Name | 10-[9-(4-anthracen-9-ylphenyl)-7-naphthalen-1-ylcarbazol-3-yl]-7-(3-phenylphenyl)benzo[c]phenoxazine;9-[9,9-bis(4-methylphenyl)-10-naphthalen-1-ylacridin-2-yl]-7-(3-phenylphenyl)benzo[c]phenoxazine;9-[6-(4-butylphenyl)-9-(3-pyren-1-ylphenyl)carbazol-3-yl]-7-(3-phenylphenyl)benzo[c]phenoxazine;9-(5,5-diphenylnaphtho[2,3-b][1]benzosilol-2-yl)-7-(3,5-diphenylphenyl)-2,3-dimethylbenzo[c]phenoxazine;6-[12-(3,5-diphenylphenyl)benzo[b]phenothiazin-2-yl]-9-naphthalen-2-yl-N,N-diphenylcarbazol-3-amine;7-naphthalen-2-yl-9-(6-phenyl-9-triphenylen-2-ylcarbazol-3-yl)benzo[c]phenoxazine |
|---|---|
| PubChem CID | 157160809 |
| Molecular Formula | C401H268N12O5SSi |
| Molecular Weight | 5394.79 g/mol |
| Exact Mass | 5390.06 |
| IUPAC Name | 10-[9-(4-anthracen-9-ylphenyl)-7-naphthalen-1-ylcarbazol-3-yl]-7-(3-phenylphenyl)benzo[c]phenoxazine;9-[9,9-bis(4-methylphenyl)-10-naphthalen-1-ylacridin-2-yl]-7-(3-phenylphenyl)benzo[c]phenoxazine;9-[6-(4-butylphenyl)-9-(3-pyren-1-ylphenyl)carbazol-3-yl]-7-(3-phenylphenyl)benzo[c]phenoxazine;9-(5,5-diphenylnaphtho[2,3-b][1]benzosilol-2-yl)-7-(3,5-diphenylphenyl)-2,3-dimethylbenzo[c]phenoxazine;6-[12-(3,5-diphenylphenyl)benzo[b]phenothiazin-2-yl]-9-naphthalen-2-yl-N,N-diphenylcarbazol-3-amine;7-naphthalen-2-yl-9-(6-phenyl-9-triphenylen-2-ylcarbazol-3-yl)benzo[c]phenoxazine |
| SMILES | CCCCc1ccc(-c2ccc3c(c2)c2cc(-c4ccc5c(c4)N(c4cccc(-c6ccccc6)c4)c4ccc6ccccc6c4O5)ccc2n3-c2cccc(-c3ccc4ccc5cccc6ccc3c4c56)c2)cc1.Cc1cc2ccc3c(c2cc1C)Oc1ccc(-c2ccc4c(c2)-c2cc5ccccc5cc2[Si]4(c2ccccc2)c2ccccc2)cc1N3c1cc(-c2ccccc2)cc(-c2ccccc2)c1.Cc1ccc(C2(c3ccc(C)cc3)c3ccccc3N(c3cccc4ccccc34)c3ccc(-c4ccc5c(c4)N(c4cccc(-c6ccccc6)c4)c4ccc6ccccc6c4O5)cc32)cc1.c1ccc(-c2cc(-c3ccccc3)cc(N3c4cc(-c5ccc6c(c5)c5cc(N(c7ccccc7)c7ccccc7)ccc5n6-c5ccc6ccccc6c5)ccc4Sc4cc5ccccc5cc43)c2)cc1.c1ccc(-c2ccc3c(c2)c2cc(-c4ccc5c(c4)N(c4ccc6ccccc6c4)c4ccc6ccccc6c4O5)ccc2n3-c2ccc3c4ccccc4c4ccccc4c3c2)cc1.c1ccc(-c2cccc(N3c4ccc(-c5ccc6c(c5)c5ccc(-c7cccc8ccccc78)cc5n6-c5ccc(-c6c7ccccc7cc7ccccc67)cc5)cc4Oc4c3ccc3ccccc43)c2)cc1 |
| InChI | InChI=1S/C72H50N2O.C70H44N2O.C68H45N3S.C65H46N2O.C64H45NOSi.C62H38N2O/c1-2-3-12-46-23-25-48(26-24-46)54-32-37-65-63(43-54)64-44-55(33-38-66(64)73(65)59-21-11-19-57(42-59)60-35-29-52-28-27-50-16-9-17-51-30-36-62(60)71(52)70(50)51)56-34-40-69-68(45-56)74(58-20-10-18-53(41-58)47-13-5-4-6-14-47)67-39-31-49-15-7-8-22-61(49)72(67)75-69;1-2-14-45(15-3-1)49-21-12-22-56(41-49)72-65-38-33-51(44-68(65)73-70-61-26-11-5-17-47(61)31-39-66(70)72)50-32-37-64-63(42-50)62-36-30-54(58-27-13-20-46-16-4-8-23-57(46)58)43-67(62)71(64)55-34-28-48(29-35-55)69-59-24-9-6-18-52(59)40-53-19-7-10-25-60(53)69;1-5-17-46(18-6-1)54-37-55(47-19-7-2-8-20-47)40-60(39-54)71-65-43-53(31-36-67(65)72-68-44-51-24-16-15-23-50(51)42-66(68)71)52-30-34-63-61(41-52)62-45-59(69(56-25-9-3-10-26-56)57-27-11-4-12-28-57)33-35-64(62)70(63)58-32-29-48-21-13-14-22-49(48)38-58;1-43-26-33-51(34-27-43)65(52-35-28-44(2)29-36-52)56-23-10-11-24-59(56)67(58-25-13-18-46-16-6-8-21-54(46)58)60-37-31-49(41-57(60)65)50-32-39-63-62(42-50)66(53-20-12-19-48(40-53)45-14-4-3-5-15-45)61-38-30-47-17-7-9-22-55(47)64(61)68-63;1-42-33-50-27-30-59-64(56(50)34-43(42)2)66-61-31-28-49(40-60(61)65(59)53-36-51(44-17-7-3-8-18-44)35-52(37-53)45-19-9-4-10-20-45)48-29-32-62-57(39-48)58-38-46-21-15-16-22-47(46)41-63(58)67(62,54-23-11-5-12-24-54)55-25-13-6-14-26-55;1-2-12-39(13-3-1)43-24-30-57-55(35-43)56-36-44(25-31-58(56)63(57)47-28-29-53-51-20-9-8-18-49(51)50-19-10-11-21-52(50)54(53)38-47)45-26-33-61-60(37-45)64(46-27-22-40-14-4-5-16-42(40)34-46)59-32-23-41-15-6-7-17-48(41)62(59)65-61/h4-11,13-45H,2-3,12H2,1H3;1-44H;1-45H;3-42H,1-2H3;3-41H,1-2H3;1-38H |
| InChIKey | AMIUFKSHNRDQTE-UHFFFAOYSA-N |
| XLogP | 109.24 |
| TPSA | 91.79 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 18 |
| Rotatable Bonds | 39 |
| Heavy Atoms | 420 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 5394.79 |
| LogP ≤ 5 | 109.24 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 18 |