C357H281N13O2S2 — CID 159053967
N,N-bis(2,4-dimethylphenyl)-12,12,22,22-tetramethylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaen-9-amine;6-N,12-N-bis(8-methyldibenzofuran-2-yl)-6-N,12-N-diphenylchrysene-6,12-diamine;6-N,12-N-di(dibenzothiophen-2-yl)-6-N,12-N-diphenylchrysene-6,12-diamine;N,N-diphenyl-10-[10-(N-phenylanilino)anthracen-9-yl]anthracen-9-amine;1-N,1-N,5-N,5-N-tetrakis(4-tert-butylphenyl)pyrene-1,5-diamine;9-N,9-N,10-N,10-N-tetrakis(4-methylphenyl)anthracene-9,10-diamine;5-N,5-N,9-N,9-N-tetraphenylspiro[benzo[c]fluorene-7,9'-fluorene]-5,9-diamine (PubChem CID 159053967) has the molecular formula C357H281N13O2S2 and a molecular weight of 4849.40 g/mol. Its IUPAC name is N,N-bis(2,4-dimethylphenyl)-12,12,22,22-tetramethylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaen-9-amine;6-N,12-N-bis(8-methyldibenzofuran-2-yl)-6-N,12-N-diphenylchrysene-6,12-diamine;6-N,12-N-di(dibenzothiophen-2-yl)-6-N,12-N-diphenylchrysene-6,12-diamine;N,N-diphenyl-10-[10-(N-phenylanilino)anthracen-9-yl]anthracen-9-amine;1-N,1-N,5-N,5-N-tetrakis(4-tert-butylphenyl)pyrene-1,5-diamine;9-N,9-N,10-N,10-N-tetrakis(4-methylphenyl)anthracene-9,10-diamine;5-N,5-N,9-N,9-N-tetraphenylspiro[benzo[c]fluorene-7,9'-fluorene]-5,9-diamine.
| Compound Name | N,N-bis(2,4-dimethylphenyl)-12,12,22,22-tetramethylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaen-9-amine;6-N,12-N-bis(8-methyldibenzofuran-2-yl)-6-N,12-N-diphenylchrysene-6,12-diamine;6-N,12-N-di(dibenzothiophen-2-yl)-6-N,12-N-diphenylchrysene-6,12-diamine;N,N-diphenyl-10-[10-(N-phenylanilino)anthracen-9-yl]anthracen-9-amine;1-N,1-N,5-N,5-N-tetrakis(4-tert-butylphenyl)pyrene-1,5-diamine;9-N,9-N,10-N,10-N-tetrakis(4-methylphenyl)anthracene-9,10-diamine;5-N,5-N,9-N,9-N-tetraphenylspiro[benzo[c]fluorene-7,9'-fluorene]-5,9-diamine |
|---|---|
| PubChem CID | 159053967 |
| Molecular Formula | C357H281N13O2S2 |
| Molecular Weight | 4849.40 g/mol |
| Exact Mass | 4845.17 |
| IUPAC Name | N,N-bis(2,4-dimethylphenyl)-12,12,22,22-tetramethylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaen-9-amine;6-N,12-N-bis(8-methyldibenzofuran-2-yl)-6-N,12-N-diphenylchrysene-6,12-diamine;6-N,12-N-di(dibenzothiophen-2-yl)-6-N,12-N-diphenylchrysene-6,12-diamine;N,N-diphenyl-10-[10-(N-phenylanilino)anthracen-9-yl]anthracen-9-amine;1-N,1-N,5-N,5-N-tetrakis(4-tert-butylphenyl)pyrene-1,5-diamine;9-N,9-N,10-N,10-N-tetrakis(4-methylphenyl)anthracene-9,10-diamine;5-N,5-N,9-N,9-N-tetraphenylspiro[benzo[c]fluorene-7,9'-fluorene]-5,9-diamine |
| SMILES | CC(C)(C)c1ccc(N(c2ccc(C(C)(C)C)cc2)c2cc3ccc(N(c4ccc(C(C)(C)C)cc4)c4ccc(C(C)(C)C)cc4)c4ccc5cccc2c5c34)cc1.Cc1ccc(N(c2ccc(C)cc2)c2c3ccccc3c(N(c3ccc(C)cc3)c3ccc(C)cc3)c3ccccc23)cc1.Cc1ccc(N(c2ccc(C)cc2C)c2cc3c(c4ccccc24)-c2cc4c(cc2C3(C)C)-c2ccccc2C4(C)C)c(C)c1.Cc1ccc2oc3ccc(N(c4ccccc4)c4cc5c6ccccc6c(N(c6ccccc6)c6ccc7oc8ccc(C)cc8c7c6)cc5c5ccccc45)cc3c2c1.c1ccc(N(c2ccc3sc4ccccc4c3c2)c2cc3c4ccccc4c(N(c4ccccc4)c4ccc5sc6ccccc6c5c4)cc3c3ccccc23)cc1.c1ccc(N(c2ccccc2)c2c3ccccc3c(-c3c4ccccc4c(N(c4ccccc4)c4ccccc4)c4ccccc34)c3ccccc23)cc1.c1ccc(N(c2ccccc2)c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2cc(N(c4ccccc4)c4ccccc4)c4ccccc4c2-3)cc1 |
| InChI | InChI=1S/C56H38N2O2.C56H60N2.C54H34N2S2.C53H36N2.C52H36N2.C44H41N.C42H36N2/c1-35-21-25-53-47(29-35)49-31-39(23-27-55(49)59-53)57(37-13-5-3-6-14-37)51-33-45-42-18-10-12-20-44(42)52(34-46(45)41-17-9-11-19-43(41)51)58(38-15-7-4-8-16-38)40-24-28-56-50(32-40)48-30-36(2)22-26-54(48)60-56;1-53(2,3)39-18-26-43(27-19-39)57(44-28-20-40(21-29-44)54(4,5)6)49-35-17-38-36-50(47-15-13-14-37-16-34-48(49)52(38)51(37)47)58(45-30-22-41(23-31-45)55(7,8)9)46-32-24-42(25-33-46)56(10,11)12;1-3-15-35(16-4-1)55(37-27-29-53-47(31-37)43-23-11-13-25-51(43)57-53)49-33-45-40-20-8-10-22-42(40)50(34-46(45)39-19-7-9-21-41(39)49)56(36-17-5-2-6-18-36)38-28-30-54-48(32-38)44-24-12-14-26-52(44)58-54;1-5-19-37(20-6-1)54(38-21-7-2-8-22-38)41-33-34-46-49(35-41)53(47-31-17-15-27-42(47)43-28-16-18-32-48(43)53)50-36-51(44-29-13-14-30-45(44)52(46)50)55(39-23-9-3-10-24-39)40-25-11-4-12-26-40;1-5-21-37(22-6-1)53(38-23-7-2-8-24-38)51-45-33-17-13-29-41(45)49(42-30-14-18-34-46(42)51)50-43-31-15-19-35-47(43)52(48-36-20-16-32-44(48)50)54(39-25-9-3-10-26-39)40-27-11-4-12-28-40;1-26-17-19-39(28(3)21-26)45(40-20-18-27(2)22-29(40)4)41-25-38-42(32-15-10-9-14-31(32)41)34-24-36-33(23-37(34)44(38,7)8)30-13-11-12-16-35(30)43(36,5)6;1-29-13-21-33(22-14-29)43(34-23-15-30(2)16-24-34)41-37-9-5-7-11-39(37)42(40-12-8-6-10-38(40)41)44(35-25-17-31(3)18-26-35)36-27-19-32(4)20-28-36/h3-34H,1-2H3;13-36H,1-12H3;1-34H;1-36H;1-36H;9-25H,1-8H3;5-28H,1-4H3 |
| InChIKey | JXPYFRPLQTXQRT-UHFFFAOYSA-N |
| XLogP | 103.39 |
| TPSA | 68.40 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 17 |
| Rotatable Bonds | 40 |
| Heavy Atoms | 374 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4849.40 |
| LogP ≤ 5 | 103.39 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 17 |