C252H182N16 — CID 163786005
1-N,4-N-bis(6-ethenyl-9-phenylcarbazol-3-yl)-1-N,4-N-bis(3-methylphenyl)benzene-1,4-diamine;1-N,4-N-bis(6-ethenyl-9-phenylcarbazol-3-yl)-1-N,4-N-dinaphthalen-1-ylbenzene-1,4-diamine;1-N,4-N-bis(6-ethenyl-9-phenylcarbazol-3-yl)-4-N-naphthalen-1-yl-1-N-phenylbenzene-1,4-diamine;1-N,4-N-bis(6-ethenyl-9-phenylcarbazol-3-yl)-1-N-phenyl-4-N-(4-phenylphenyl)benzene-1,4-diamine (PubChem CID 163786005) has the molecular formula C252H182N16 and a molecular weight of 3434.34 g/mol. Its IUPAC name is 1-N,4-N-bis(6-ethenyl-9-phenylcarbazol-3-yl)-1-N,4-N-bis(3-methylphenyl)benzene-1,4-diamine;1-N,4-N-bis(6-ethenyl-9-phenylcarbazol-3-yl)-1-N,4-N-dinaphthalen-1-ylbenzene-1,4-diamine;1-N,4-N-bis(6-ethenyl-9-phenylcarbazol-3-yl)-4-N-naphthalen-1-yl-1-N-phenylbenzene-1,4-diamine;1-N,4-N-bis(6-ethenyl-9-phenylcarbazol-3-yl)-1-N-phenyl-4-N-(4-phenylphenyl)benzene-1,4-diamine.
| Compound Name | 1-N,4-N-bis(6-ethenyl-9-phenylcarbazol-3-yl)-1-N,4-N-bis(3-methylphenyl)benzene-1,4-diamine;1-N,4-N-bis(6-ethenyl-9-phenylcarbazol-3-yl)-1-N,4-N-dinaphthalen-1-ylbenzene-1,4-diamine;1-N,4-N-bis(6-ethenyl-9-phenylcarbazol-3-yl)-4-N-naphthalen-1-yl-1-N-phenylbenzene-1,4-diamine;1-N,4-N-bis(6-ethenyl-9-phenylcarbazol-3-yl)-1-N-phenyl-4-N-(4-phenylphenyl)benzene-1,4-diamine |
|---|---|
| PubChem CID | 163786005 |
| Molecular Formula | C252H182N16 |
| Molecular Weight | 3434.34 g/mol |
| Exact Mass | 3431.47 |
| IUPAC Name | 1-N,4-N-bis(6-ethenyl-9-phenylcarbazol-3-yl)-1-N,4-N-bis(3-methylphenyl)benzene-1,4-diamine;1-N,4-N-bis(6-ethenyl-9-phenylcarbazol-3-yl)-1-N,4-N-dinaphthalen-1-ylbenzene-1,4-diamine;1-N,4-N-bis(6-ethenyl-9-phenylcarbazol-3-yl)-4-N-naphthalen-1-yl-1-N-phenylbenzene-1,4-diamine;1-N,4-N-bis(6-ethenyl-9-phenylcarbazol-3-yl)-1-N-phenyl-4-N-(4-phenylphenyl)benzene-1,4-diamine |
| SMILES | C=Cc1ccc2c(c1)c1cc(N(c3ccc(N(c4ccc5c(c4)c4cc(C=C)ccc4n5-c4ccccc4)c4cccc5ccccc45)cc3)c3cccc4ccccc34)ccc1n2-c1ccccc1.C=Cc1ccc2c(c1)c1cc(N(c3ccc(N(c4cccc(C)c4)c4ccc5c(c4)c4cc(C=C)ccc4n5-c4ccccc4)cc3)c3cccc(C)c3)ccc1n2-c1ccccc1.C=Cc1ccc2c(c1)c1cc(N(c3ccccc3)c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc5c(c4)c4cc(C=C)ccc4n5-c4ccccc4)cc3)ccc1n2-c1ccccc1.C=Cc1ccc2c(c1)c1cc(N(c3ccccc3)c3ccc(N(c4ccc5c(c4)c4cc(C=C)ccc4n5-c4ccccc4)c4cccc5ccccc45)cc3)ccc1n2-c1ccccc1 |
| InChI | InChI=1S/C66H46N4.C64H46N4.C62H44N4.C60H46N4/c1-3-45-29-37-63-57(41-45)59-43-53(35-39-65(59)69(63)49-21-7-5-8-22-49)67(61-27-15-19-47-17-11-13-25-55(47)61)51-31-33-52(34-32-51)68(62-28-16-20-48-18-12-14-26-56(48)62)54-36-40-66-60(44-54)58-42-46(4-2)30-38-64(58)70(66)50-23-9-6-10-24-50;1-3-45-25-37-61-57(41-45)59-43-55(35-39-63(59)67(61)50-21-13-7-14-22-50)65(49-19-11-6-12-20-49)53-31-33-54(34-32-53)66(52-29-27-48(28-30-52)47-17-9-5-10-18-47)56-36-40-64-60(44-56)58-42-46(4-2)26-38-62(58)68(64)51-23-15-8-16-24-51;1-3-43-27-35-59-54(39-43)56-41-51(33-37-61(56)65(59)47-21-10-6-11-22-47)63(46-19-8-5-9-20-46)49-29-31-50(32-30-49)64(58-26-16-18-45-17-14-15-25-53(45)58)52-34-38-62-57(42-52)55-40-44(4-2)28-36-60(55)66(62)48-23-12-7-13-24-48;1-5-43-23-31-57-53(37-43)55-39-51(29-33-59(55)63(57)45-17-9-7-10-18-45)61(49-21-13-15-41(3)35-49)47-25-27-48(28-26-47)62(50-22-14-16-42(4)36-50)52-30-34-60-56(40-52)54-38-44(6-2)24-32-58(54)64(60)46-19-11-8-12-20-46/h3-44H,1-2H2;3-44H,1-2H2;3-42H,1-2H2;5-40H,1-2H2,3-4H3 |
| InChIKey | MSOVZVTWXSZQNI-UHFFFAOYSA-N |
| XLogP | 70.17 |
| TPSA | 65.36 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 16 |
| Rotatable Bonds | 41 |
| Heavy Atoms | 268 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3434.34 |
| LogP ≤ 5 | 70.17 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 16 |