C299H222N20 — CID 161262944
3-[(E)-2-[3,5-bis[(E)-2-(9-ethylcarbazol-3-yl)ethenyl]phenyl]ethenyl]-9-ethylcarbazole;3-N,6-N-bis(9-ethylcarbazol-3-yl)-3-N,6-N,9-triphenylcarbazole-3,6-diamine;4-carbazol-9-yl-N,N-bis(4-carbazol-9-ylphenyl)aniline;bis(5,11-dinaphthalen-1-ylindolo[3,2-b]carbazole);4-N-(3-methylphenyl)-1-N,1-N-bis[4-(N-(3-methylphenyl)anilino)phenyl]-4-N-phenylbenzene-1,4-diamine (PubChem CID 161262944) has the molecular formula C299H222N20 and a molecular weight of 4095.20 g/mol. Its IUPAC name is 3-[(E)-2-[3,5-bis[(E)-2-(9-ethylcarbazol-3-yl)ethenyl]phenyl]ethenyl]-9-ethylcarbazole;3-N,6-N-bis(9-ethylcarbazol-3-yl)-3-N,6-N,9-triphenylcarbazole-3,6-diamine;4-carbazol-9-yl-N,N-bis(4-carbazol-9-ylphenyl)aniline;bis(5,11-dinaphthalen-1-ylindolo[3,2-b]carbazole);4-N-(3-methylphenyl)-1-N,1-N-bis[4-(N-(3-methylphenyl)anilino)phenyl]-4-N-phenylbenzene-1,4-diamine.
| Compound Name | 3-[(E)-2-[3,5-bis[(E)-2-(9-ethylcarbazol-3-yl)ethenyl]phenyl]ethenyl]-9-ethylcarbazole;3-N,6-N-bis(9-ethylcarbazol-3-yl)-3-N,6-N,9-triphenylcarbazole-3,6-diamine;4-carbazol-9-yl-N,N-bis(4-carbazol-9-ylphenyl)aniline;bis(5,11-dinaphthalen-1-ylindolo[3,2-b]carbazole);4-N-(3-methylphenyl)-1-N,1-N-bis[4-(N-(3-methylphenyl)anilino)phenyl]-4-N-phenylbenzene-1,4-diamine |
|---|---|
| PubChem CID | 161262944 |
| Molecular Formula | C299H222N20 |
| Molecular Weight | 4095.20 g/mol |
| Exact Mass | 4091.80 |
| IUPAC Name | 3-[(E)-2-[3,5-bis[(E)-2-(9-ethylcarbazol-3-yl)ethenyl]phenyl]ethenyl]-9-ethylcarbazole;3-N,6-N-bis(9-ethylcarbazol-3-yl)-3-N,6-N,9-triphenylcarbazole-3,6-diamine;4-carbazol-9-yl-N,N-bis(4-carbazol-9-ylphenyl)aniline;bis(5,11-dinaphthalen-1-ylindolo[3,2-b]carbazole);4-N-(3-methylphenyl)-1-N,1-N-bis[4-(N-(3-methylphenyl)anilino)phenyl]-4-N-phenylbenzene-1,4-diamine |
| SMILES | CCn1c2ccccc2c2cc(/C=C/c3cc(/C=C/c4ccc5c(c4)c4ccccc4n5CC)cc(/C=C/c4ccc5c(c4)c4ccccc4n5CC)c3)ccc21.CCn1c2ccccc2c2cc(N(c3ccccc3)c3ccc4c(c3)c3cc(N(c5ccccc5)c5ccc6c(c5)c5ccccc5n6CC)ccc3n4-c3ccccc3)ccc21.Cc1cccc(N(c2ccccc2)c2ccc(N(c3ccc(N(c4ccccc4)c4cccc(C)c4)cc3)c3ccc(N(c4ccccc4)c4cccc(C)c4)cc3)cc2)c1.c1ccc2c(-n3c4ccccc4c4cc5c(cc43)c3ccccc3n5-c3cccc4ccccc34)cccc2c1.c1ccc2c(-n3c4ccccc4c4cc5c(cc43)c3ccccc3n5-c3cccc4ccccc34)cccc2c1.c1ccc2c(c1)c1ccccc1n2-c1ccc(N(c2ccc(-n3c4ccccc4c4ccccc43)cc2)c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1 |
| InChI | InChI=1S/C58H45N5.C57H48N4.C54H36N4.C54H45N3.2C38H24N2/c1-3-59-53-26-16-14-24-47(53)49-36-43(28-32-55(49)59)61(40-18-8-5-9-19-40)45-30-34-57-51(38-45)52-39-46(31-35-58(52)63(57)42-22-12-7-13-23-42)62(41-20-10-6-11-21-41)44-29-33-56-50(37-44)48-25-15-17-27-54(48)60(56)4-2;1-43-16-13-25-55(40-43)59(46-19-7-4-8-20-46)52-34-28-49(29-35-52)58(50-30-36-53(37-31-50)60(47-21-9-5-10-22-47)56-26-14-17-44(2)41-56)51-32-38-54(39-33-51)61(48-23-11-6-12-24-48)57-27-15-18-45(3)42-57;1-7-19-49-43(13-1)44-14-2-8-20-50(44)56(49)40-31-25-37(26-32-40)55(38-27-33-41(34-28-38)57-51-21-9-3-15-45(51)46-16-4-10-22-52(46)57)39-29-35-42(36-30-39)58-53-23-11-5-17-47(53)48-18-6-12-24-54(48)58;1-4-55-49-16-10-7-13-43(49)46-34-37(25-28-52(46)55)19-22-40-31-41(23-20-38-26-29-53-47(35-38)44-14-8-11-17-50(44)56(53)5-2)33-42(32-40)24-21-39-27-30-54-48(36-39)45-15-9-12-18-51(45)57(54)6-3;2*1-3-15-27-25(11-1)13-9-21-33(27)39-35-19-7-5-17-29(35)31-24-38-32(23-37(31)39)30-18-6-8-20-36(30)40(38)34-22-10-14-26-12-2-4-16-28(26)34/h5-39H,3-4H2,1-2H3;4-42H,1-3H3;1-36H;7-36H,4-6H2,1-3H3;2*1-24H/b;;;22-19+,23-20+,24-21+;; |
| InChIKey | VCUKVCKPPBZOQI-VNIGEEHNSA-N |
| XLogP | 81.87 |
| TPSA | 86.77 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 20 |
| Rotatable Bonds | 40 |
| Heavy Atoms | 319 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4095.20 |
| LogP ≤ 5 | 81.87 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 20 |