C356H252N12 — CID 158021439
4-N-[4-(9,10-diphenylanthracen-2-yl)naphthalen-1-yl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine;4-N-[5-(9,10-diphenylanthracen-2-yl)naphthalen-1-yl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine;1-N-[4-(9,10-diphenylanthracen-2-yl)phenyl]-1-N,4-N-diphenyl-4-N-(2-phenylphenyl)benzene-1,4-diamine;4-N-[4-[4-(9,10-diphenylanthracen-2-yl)phenyl]phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine;4-N-[2-(9,10-diphenylanthracen-2-yl)phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine;4-N-[3-(9,10-diphenylanthracen-2-yl)phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine (PubChem CID 158021439) has the molecular formula C356H252N12 and a molecular weight of 4698.02 g/mol. Its IUPAC name is 4-N-[4-(9,10-diphenylanthracen-2-yl)naphthalen-1-yl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine;4-N-[5-(9,10-diphenylanthracen-2-yl)naphthalen-1-yl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine;1-N-[4-(9,10-diphenylanthracen-2-yl)phenyl]-1-N,4-N-diphenyl-4-N-(2-phenylphenyl)benzene-1,4-diamine;4-N-[4-[4-(9,10-diphenylanthracen-2-yl)phenyl]phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine;4-N-[2-(9,10-diphenylanthracen-2-yl)phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine;4-N-[3-(9,10-diphenylanthracen-2-yl)phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine.
| Compound Name | 4-N-[4-(9,10-diphenylanthracen-2-yl)naphthalen-1-yl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine;4-N-[5-(9,10-diphenylanthracen-2-yl)naphthalen-1-yl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine;1-N-[4-(9,10-diphenylanthracen-2-yl)phenyl]-1-N,4-N-diphenyl-4-N-(2-phenylphenyl)benzene-1,4-diamine;4-N-[4-[4-(9,10-diphenylanthracen-2-yl)phenyl]phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine;4-N-[2-(9,10-diphenylanthracen-2-yl)phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine;4-N-[3-(9,10-diphenylanthracen-2-yl)phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine |
|---|---|
| PubChem CID | 158021439 |
| Molecular Formula | C356H252N12 |
| Molecular Weight | 4698.02 g/mol |
| Exact Mass | 4694.01 |
| IUPAC Name | 4-N-[4-(9,10-diphenylanthracen-2-yl)naphthalen-1-yl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine;4-N-[5-(9,10-diphenylanthracen-2-yl)naphthalen-1-yl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine;1-N-[4-(9,10-diphenylanthracen-2-yl)phenyl]-1-N,4-N-diphenyl-4-N-(2-phenylphenyl)benzene-1,4-diamine;4-N-[4-[4-(9,10-diphenylanthracen-2-yl)phenyl]phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine;4-N-[2-(9,10-diphenylanthracen-2-yl)phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine;4-N-[3-(9,10-diphenylanthracen-2-yl)phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine |
| SMILES | c1ccc(-c2c3ccccc3c(-c3ccccc3)c3cc(-c4ccc(-c5ccc(N(c6ccccc6)c6ccc(N(c7ccccc7)c7ccccc7)cc6)cc5)cc4)ccc23)cc1.c1ccc(-c2c3ccccc3c(-c3ccccc3)c3cc(-c4ccc(N(c5ccccc5)c5ccc(N(c6ccccc6)c6ccccc6)cc5)c5ccccc45)ccc23)cc1.c1ccc(-c2c3ccccc3c(-c3ccccc3)c3cc(-c4cccc(N(c5ccccc5)c5ccc(N(c6ccccc6)c6ccccc6)cc5)c4)ccc23)cc1.c1ccc(-c2c3ccccc3c(-c3ccccc3)c3cc(-c4cccc5c(N(c6ccccc6)c6ccc(N(c7ccccc7)c7ccccc7)cc6)cccc45)ccc23)cc1.c1ccc(-c2c3ccccc3c(-c3ccccc3)c3cc(-c4ccccc4N(c4ccccc4)c4ccc(N(c5ccccc5)c5ccccc5)cc4)ccc23)cc1.c1ccc(-c2ccccc2N(c2ccccc2)c2ccc(N(c3ccccc3)c3ccc(-c4ccc5c(-c6ccccc6)c6ccccc6c(-c6ccccc6)c5c4)cc3)cc2)cc1 |
| InChI | InChI=1S/2C62H44N2.2C60H42N2.2C56H40N2/c1-6-20-46(21-7-1)55-30-18-19-33-60(55)64(51-28-14-5-15-29-51)54-41-39-53(40-42-54)63(50-26-12-4-13-27-50)52-37-34-45(35-38-52)49-36-43-58-59(44-49)62(48-24-10-3-11-25-48)57-32-17-16-31-56(57)61(58)47-22-8-2-9-23-47;1-6-18-48(19-7-1)61-57-28-16-17-29-58(57)62(49-20-8-2-9-21-49)60-44-50(36-43-59(60)61)47-32-30-45(31-33-47)46-34-37-54(38-35-46)64(53-26-14-5-15-27-53)56-41-39-55(40-42-56)63(51-22-10-3-11-23-51)52-24-12-4-13-25-52;1-6-20-43(21-7-1)59-54-30-16-17-31-55(54)60(44-22-8-2-9-23-44)57-42-45(36-41-56(57)59)51-32-18-34-53-52(51)33-19-35-58(53)62(48-28-14-5-15-29-48)50-39-37-49(38-40-50)61(46-24-10-3-11-25-46)47-26-12-4-13-27-47;1-6-20-43(21-7-1)59-54-32-18-19-33-55(54)60(44-22-8-2-9-23-44)57-42-45(34-39-56(57)59)51-40-41-58(53-31-17-16-30-52(51)53)62(48-28-14-5-15-29-48)50-37-35-49(36-38-50)61(46-24-10-3-11-25-46)47-26-12-4-13-27-47;1-6-20-41(21-7-1)55-50-31-16-17-32-51(50)56(42-22-8-2-9-23-42)53-40-43(34-39-52(53)55)49-30-18-19-33-54(49)58(46-28-14-5-15-29-46)48-37-35-47(36-38-48)57(44-24-10-3-11-25-44)45-26-12-4-13-27-45;1-6-19-41(20-7-1)55-51-31-16-17-32-52(51)56(42-21-8-2-9-22-42)54-40-44(33-38-53(54)55)43-23-18-30-50(39-43)58(47-28-14-5-15-29-47)49-36-34-48(35-37-49)57(45-24-10-3-11-25-45)46-26-12-4-13-27-46/h2*1-44H;2*1-42H;2*1-40H |
| InChIKey | FGCMGCBDEPPJNK-UHFFFAOYSA-N |
| XLogP | 101.24 |
| TPSA | 38.88 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 12 |
| Rotatable Bonds | 56 |
| Heavy Atoms | 368 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4698.02 |
| LogP ≤ 5 | 101.24 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 12 |