C442H302N18O2S4 — CID 159629096
1-N,3-N-bis(9,9-dimethylfluoren-2-yl)-1-N,3-N-bis(4-phenylphenyl)-5-[9-(4-phenylphenyl)carbazol-2-yl]benzene-1,3-diamine;1-N-dibenzofuran-3-yl-3-N-dibenzothiophen-3-yl-1-N,3-N-bis(4-phenylphenyl)-5-[9-(4-phenylphenyl)carbazol-2-yl]benzene-1,3-diamine;1-N-dibenzofuran-3-yl-3-N-dibenzothiophen-3-yl-1-N,3-N-diphenyl-5-[9-(4-phenylphenyl)carbazol-2-yl]benzene-1,3-diamine;1-N,3-N-di(dibenzothiophen-3-yl)-1-N,3-N-bis(4-phenylphenyl)-5-[9-(4-phenylphenyl)carbazol-2-yl]benzene-1,3-diamine;1-N,3-N-dinaphthalen-2-yl-1-N,3-N-diphenyl-5-[9-(4-phenylphenyl)carbazol-2-yl]benzene-1,3-diamine;1-N,3-N-diphenyl-1-N,3-N-bis(6-phenylnaphthalen-2-yl)-5-[9-(4-phenylphenyl)carbazol-2-yl]benzene-1,3-diamine (PubChem CID 159629096) has the molecular formula C442H302N18O2S4 and a molecular weight of 6025.67 g/mol. Its IUPAC name is 1-N,3-N-bis(9,9-dimethylfluoren-2-yl)-1-N,3-N-bis(4-phenylphenyl)-5-[9-(4-phenylphenyl)carbazol-2-yl]benzene-1,3-diamine;1-N-dibenzofuran-3-yl-3-N-dibenzothiophen-3-yl-1-N,3-N-bis(4-phenylphenyl)-5-[9-(4-phenylphenyl)carbazol-2-yl]benzene-1,3-diamine;1-N-dibenzofuran-3-yl-3-N-dibenzothiophen-3-yl-1-N,3-N-diphenyl-5-[9-(4-phenylphenyl)carbazol-2-yl]benzene-1,3-diamine;1-N,3-N-di(dibenzothiophen-3-yl)-1-N,3-N-bis(4-phenylphenyl)-5-[9-(4-phenylphenyl)carbazol-2-yl]benzene-1,3-diamine;1-N,3-N-dinaphthalen-2-yl-1-N,3-N-diphenyl-5-[9-(4-phenylphenyl)carbazol-2-yl]benzene-1,3-diamine;1-N,3-N-diphenyl-1-N,3-N-bis(6-phenylnaphthalen-2-yl)-5-[9-(4-phenylphenyl)carbazol-2-yl]benzene-1,3-diamine.
| Compound Name | 1-N,3-N-bis(9,9-dimethylfluoren-2-yl)-1-N,3-N-bis(4-phenylphenyl)-5-[9-(4-phenylphenyl)carbazol-2-yl]benzene-1,3-diamine;1-N-dibenzofuran-3-yl-3-N-dibenzothiophen-3-yl-1-N,3-N-bis(4-phenylphenyl)-5-[9-(4-phenylphenyl)carbazol-2-yl]benzene-1,3-diamine;1-N-dibenzofuran-3-yl-3-N-dibenzothiophen-3-yl-1-N,3-N-diphenyl-5-[9-(4-phenylphenyl)carbazol-2-yl]benzene-1,3-diamine;1-N,3-N-di(dibenzothiophen-3-yl)-1-N,3-N-bis(4-phenylphenyl)-5-[9-(4-phenylphenyl)carbazol-2-yl]benzene-1,3-diamine;1-N,3-N-dinaphthalen-2-yl-1-N,3-N-diphenyl-5-[9-(4-phenylphenyl)carbazol-2-yl]benzene-1,3-diamine;1-N,3-N-diphenyl-1-N,3-N-bis(6-phenylnaphthalen-2-yl)-5-[9-(4-phenylphenyl)carbazol-2-yl]benzene-1,3-diamine |
|---|---|
| PubChem CID | 159629096 |
| Molecular Formula | C442H302N18O2S4 |
| Molecular Weight | 6025.67 g/mol |
| Exact Mass | 6020.30 |
| IUPAC Name | 1-N,3-N-bis(9,9-dimethylfluoren-2-yl)-1-N,3-N-bis(4-phenylphenyl)-5-[9-(4-phenylphenyl)carbazol-2-yl]benzene-1,3-diamine;1-N-dibenzofuran-3-yl-3-N-dibenzothiophen-3-yl-1-N,3-N-bis(4-phenylphenyl)-5-[9-(4-phenylphenyl)carbazol-2-yl]benzene-1,3-diamine;1-N-dibenzofuran-3-yl-3-N-dibenzothiophen-3-yl-1-N,3-N-diphenyl-5-[9-(4-phenylphenyl)carbazol-2-yl]benzene-1,3-diamine;1-N,3-N-di(dibenzothiophen-3-yl)-1-N,3-N-bis(4-phenylphenyl)-5-[9-(4-phenylphenyl)carbazol-2-yl]benzene-1,3-diamine;1-N,3-N-dinaphthalen-2-yl-1-N,3-N-diphenyl-5-[9-(4-phenylphenyl)carbazol-2-yl]benzene-1,3-diamine;1-N,3-N-diphenyl-1-N,3-N-bis(6-phenylnaphthalen-2-yl)-5-[9-(4-phenylphenyl)carbazol-2-yl]benzene-1,3-diamine |
| SMILES | CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cc(-c4ccc5c6ccccc6n(-c6ccc(-c7ccccc7)cc6)c5c4)cc(N(c4ccc(-c5ccccc5)cc4)c4ccc5c(c4)C(C)(C)c4ccccc4-5)c3)cc21.c1ccc(-c2ccc(-n3c4ccccc4c4ccc(-c5cc(N(c6ccccc6)c6ccc7c(c6)oc6ccccc67)cc(N(c6ccccc6)c6ccc7c(c6)sc6ccccc67)c5)cc43)cc2)cc1.c1ccc(-c2ccc(-n3c4ccccc4c4ccc(-c5cc(N(c6ccccc6)c6ccc7cc(-c8ccccc8)ccc7c6)cc(N(c6ccccc6)c6ccc7cc(-c8ccccc8)ccc7c6)c5)cc43)cc2)cc1.c1ccc(-c2ccc(-n3c4ccccc4c4ccc(-c5cc(N(c6ccccc6)c6ccc7ccccc7c6)cc(N(c6ccccc6)c6ccc7ccccc7c6)c5)cc43)cc2)cc1.c1ccc(-c2ccc(N(c3cc(-c4ccc5c6ccccc6n(-c6ccc(-c7ccccc7)cc6)c5c4)cc(N(c4ccc(-c5ccccc5)cc4)c4ccc5c(c4)sc4ccccc45)c3)c3ccc4c(c3)oc3ccccc34)cc2)cc1.c1ccc(-c2ccc(N(c3cc(-c4ccc5c6ccccc6n(-c6ccc(-c7ccccc7)cc6)c5c4)cc(N(c4ccc(-c5ccccc5)cc4)c4ccc5c(c4)sc4ccccc45)c3)c3ccc4c(c3)sc3ccccc34)cc2)cc1 |
| InChI | InChI=1S/C84H63N3.C78H51N3OS.C78H51N3S2.C74H51N3.C66H43N3OS.C62H43N3/c1-83(2)77-29-17-14-26-71(77)73-48-45-67(54-79(73)83)85(64-39-32-59(33-40-64)56-20-8-5-9-21-56)69-50-63(62-38-47-76-75-28-16-19-31-81(75)87(82(76)52-62)66-43-36-61(37-44-66)58-24-12-7-13-25-58)51-70(53-69)86(65-41-34-60(35-42-65)57-22-10-6-11-23-57)68-46-49-74-72-27-15-18-30-78(72)84(3,4)80(74)55-68;1-4-16-52(17-5-1)55-28-35-60(36-29-55)79(63-41-44-70-69-23-11-14-26-75(69)82-76(70)50-63)65-46-59(58-34-43-68-67-22-10-13-25-73(67)81(74(68)48-58)62-39-32-57(33-40-62)54-20-8-3-9-21-54)47-66(49-65)80(61-37-30-56(31-38-61)53-18-6-2-7-19-53)64-42-45-72-71-24-12-15-27-77(71)83-78(72)51-64;1-4-16-52(17-5-1)55-28-35-60(36-29-55)79(63-41-44-71-69-23-11-14-26-75(69)82-77(71)50-63)65-46-59(58-34-43-68-67-22-10-13-25-73(67)81(74(68)48-58)62-39-32-57(33-40-62)54-20-8-3-9-21-54)47-66(49-65)80(61-37-30-56(31-38-61)53-18-6-2-7-19-53)64-42-45-72-70-24-12-15-27-76(70)83-78(72)51-64;1-6-18-52(19-7-1)55-34-39-66(40-35-55)77-73-29-17-16-28-71(73)72-43-38-62(50-74(72)77)63-48-69(75(64-24-12-4-13-25-64)67-41-36-58-44-56(30-32-60(58)46-67)53-20-8-2-9-21-53)51-70(49-63)76(65-26-14-5-15-27-65)68-42-37-59-45-57(31-33-61(59)47-68)54-22-10-3-11-23-54;1-4-16-44(17-5-1)45-28-31-50(32-29-45)69-61-25-13-10-22-55(61)56-35-30-46(40-62(56)69)47-38-53(67(48-18-6-2-7-19-48)51-33-36-58-57-23-11-14-26-63(57)70-64(58)42-51)41-54(39-47)68(49-20-8-3-9-21-49)52-34-37-60-59-24-12-15-27-65(59)71-66(60)43-52;1-4-16-44(17-5-1)47-28-33-54(34-29-47)65-61-27-15-14-26-59(61)60-37-32-50(42-62(60)65)51-40-57(63(52-22-6-2-7-23-52)55-35-30-45-18-10-12-20-48(45)38-55)43-58(41-51)64(53-24-8-3-9-25-53)56-36-31-46-19-11-13-21-49(46)39-56/h5-55H,1-4H3;2*1-51H;1-51H;1-43H;1-43H |
| InChIKey | MOWQMDXSBBEKDA-UHFFFAOYSA-N |
| XLogP | 126.18 |
| TPSA | 94.74 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 24 |
| Rotatable Bonds | 62 |
| Heavy Atoms | 466 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 6025.67 |
| LogP ≤ 5 | 126.18 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 24 |