C378H284F2N18 — CID 158166939
1-N,3-N-bis(9,9-dimethylfluoren-2-yl)-1-N,3-N-bis(4-phenylphenyl)-5-[9-(4-phenylphenyl)carbazol-3-yl]benzene-1,3-diamine;1-N,3-N-bis(9,9-dimethylfluoren-2-yl)-1-N,3-N-diphenyl-5-[9-(4-phenylphenyl)carbazol-3-yl]benzene-1,3-diamine;1-N,3-N-bis(4-fluorophenyl)-1-N,3-N-diphenyl-5-[9-(4-phenylphenyl)carbazol-3-yl]benzene-1,3-diamine;1-N,3-N-bis(4-methylphenyl)-1-N,3-N-diphenyl-5-[9-(4-phenylphenyl)carbazol-3-yl]benzene-1,3-diamine;1-N,1-N,3-N,3-N-tetrakis(4-methylphenyl)-5-[9-(4-phenylphenyl)carbazol-3-yl]benzene-1,3-diamine;1-N,1-N,3-N,3-N-tetraphenyl-5-[9-(4-phenylphenyl)carbazol-3-yl]benzene-1,3-diamine (PubChem CID 158166939) has the molecular formula C378H284F2N18 and a molecular weight of 5116.55 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-3-yl]benzene-1,3-diamine;1-N,3-N-bis(9,9-dimethylfluoren-2-yl)-1-N,3-N-diphenyl-5-[9-(4-phenylphenyl)carbazol-3-yl]benzene-1,3-diamine;1-N,3-N-bis(4-fluorophenyl)-1-N,3-N-diphenyl-5-[9-(4-phenylphenyl)carbazol-3-yl]benzene-1,3-diamine;1-N,3-N-bis(4-methylphenyl)-1-N,3-N-diphenyl-5-[9-(4-phenylphenyl)carbazol-3-yl]benzene-1,3-diamine;1-N,1-N,3-N,3-N-tetrakis(4-methylphenyl)-5-[9-(4-phenylphenyl)carbazol-3-yl]benzene-1,3-diamine;1-N,1-N,3-N,3-N-tetraphenyl-5-[9-(4-phenylphenyl)carbazol-3-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-3-yl]benzene-1,3-diamine;1-N,3-N-bis(9,9-dimethylfluoren-2-yl)-1-N,3-N-diphenyl-5-[9-(4-phenylphenyl)carbazol-3-yl]benzene-1,3-diamine;1-N,3-N-bis(4-fluorophenyl)-1-N,3-N-diphenyl-5-[9-(4-phenylphenyl)carbazol-3-yl]benzene-1,3-diamine;1-N,3-N-bis(4-methylphenyl)-1-N,3-N-diphenyl-5-[9-(4-phenylphenyl)carbazol-3-yl]benzene-1,3-diamine;1-N,1-N,3-N,3-N-tetrakis(4-methylphenyl)-5-[9-(4-phenylphenyl)carbazol-3-yl]benzene-1,3-diamine;1-N,1-N,3-N,3-N-tetraphenyl-5-[9-(4-phenylphenyl)carbazol-3-yl]benzene-1,3-diamine |
|---|---|
| PubChem CID | 158166939 |
| Molecular Formula | C378H284F2N18 |
| Molecular Weight | 5116.55 g/mol |
| Exact Mass | 5112.27 |
| IUPAC Name | 1-N,3-N-bis(9,9-dimethylfluoren-2-yl)-1-N,3-N-bis(4-phenylphenyl)-5-[9-(4-phenylphenyl)carbazol-3-yl]benzene-1,3-diamine;1-N,3-N-bis(9,9-dimethylfluoren-2-yl)-1-N,3-N-diphenyl-5-[9-(4-phenylphenyl)carbazol-3-yl]benzene-1,3-diamine;1-N,3-N-bis(4-fluorophenyl)-1-N,3-N-diphenyl-5-[9-(4-phenylphenyl)carbazol-3-yl]benzene-1,3-diamine;1-N,3-N-bis(4-methylphenyl)-1-N,3-N-diphenyl-5-[9-(4-phenylphenyl)carbazol-3-yl]benzene-1,3-diamine;1-N,1-N,3-N,3-N-tetrakis(4-methylphenyl)-5-[9-(4-phenylphenyl)carbazol-3-yl]benzene-1,3-diamine;1-N,1-N,3-N,3-N-tetraphenyl-5-[9-(4-phenylphenyl)carbazol-3-yl]benzene-1,3-diamine |
| SMILES | CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(-c5ccccc5)cc4)cc(N(c4ccc(-c5ccccc5)cc4)c4ccc5c(c4)C(C)(C)c4ccccc4-5)c3)cc21.CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(-c5ccccc5)cc4)cc(N(c4ccccc4)c4ccc5c(c4)C(C)(C)c4ccccc4-5)c3)cc21.Cc1ccc(N(c2ccc(C)cc2)c2cc(-c3ccc4c(c3)c3ccccc3n4-c3ccc(-c4ccccc4)cc3)cc(N(c3ccc(C)cc3)c3ccc(C)cc3)c2)cc1.Cc1ccc(N(c2ccccc2)c2cc(-c3ccc4c(c3)c3ccccc3n4-c3ccc(-c4ccccc4)cc3)cc(N(c3ccccc3)c3ccc(C)cc3)c2)cc1.Fc1ccc(N(c2ccccc2)c2cc(-c3ccc4c(c3)c3ccccc3n4-c3ccc(-c4ccccc4)cc3)cc(N(c3ccccc3)c3ccc(F)cc3)c2)cc1.c1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5cc(N(c6ccccc6)c6ccccc6)cc(N(c6ccccc6)c6ccccc6)c5)ccc43)cc2)cc1 |
| InChI | InChI=1S/C84H63N3.C72H55N3.C58H47N3.C56H43N3.C54H37F2N3.C54H39N3/c1-83(2)77-29-17-14-26-71(77)73-47-45-67(54-79(73)83)85(64-39-32-59(33-40-64)56-20-8-5-9-21-56)69-50-63(62-38-49-82-76(52-62)75-28-16-19-31-81(75)87(82)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)68-46-48-74-72-27-15-18-30-78(72)84(3,4)80(74)55-68;1-71(2)65-29-17-14-26-59(65)61-39-37-55(46-67(61)71)73(52-22-10-6-11-23-52)57-42-51(43-58(45-57)74(53-24-12-7-13-25-53)56-38-40-62-60-27-15-18-30-66(60)72(3,4)68(62)47-56)50-34-41-70-64(44-50)63-28-16-19-31-69(63)75(70)54-35-32-49(33-36-54)48-20-8-5-9-21-48;1-40-14-25-48(26-15-40)59(49-27-16-41(2)17-28-49)53-36-47(37-54(39-53)60(50-29-18-42(3)19-30-50)51-31-20-43(4)21-32-51)46-24-35-58-56(38-46)55-12-8-9-13-57(55)61(58)52-33-22-45(23-34-52)44-10-6-5-7-11-44;1-40-22-29-48(30-23-40)57(46-16-8-4-9-17-46)51-36-45(37-52(39-51)58(47-18-10-5-11-19-47)49-31-24-41(2)25-32-49)44-28-35-56-54(38-44)53-20-12-13-21-55(53)59(56)50-33-26-43(27-34-50)42-14-6-3-7-15-42;55-42-23-29-46(30-24-42)57(44-14-6-2-7-15-44)49-34-41(35-50(37-49)58(45-16-8-3-9-17-45)47-31-25-43(56)26-32-47)40-22-33-54-52(36-40)51-18-10-11-19-53(51)59(54)48-27-20-39(21-28-48)38-12-4-1-5-13-38;1-6-18-40(19-7-1)41-30-33-48(34-31-41)57-53-29-17-16-28-51(53)52-38-42(32-35-54(52)57)43-36-49(55(44-20-8-2-9-21-44)45-22-10-3-11-23-45)39-50(37-43)56(46-24-12-4-13-25-46)47-26-14-5-15-27-47/h5-55H,1-4H3;5-47H,1-4H3;5-39H,1-4H3;3-39H,1-2H3;1-37H;1-39H |
| InChIKey | FWYNHORJLKFHJH-UHFFFAOYSA-N |
| XLogP | 105.03 |
| TPSA | 68.46 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 18 |
| Rotatable Bonds | 56 |
| Heavy Atoms | 398 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 5116.55 |
| LogP ≤ 5 | 105.03 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 18 |