C219H185N7 — CID 158933288
N-[4-[7-[4-(N-[4-(9,9-dibenzyl-7-methylfluoren-2-yl)phenyl]anilino)phenyl]-9,9-dimethylfluoren-2-yl]phenyl]-4-methyl-N-phenylaniline;N-[4-[9,9-dimethyl-7-[4-(N-[4-[4-(N-methylanilino)phenyl]phenyl]anilino)phenyl]fluoren-2-yl]phenyl]-4-methyl-N-phenylaniline;N-[4-[9,9-dimethyl-7-[4-(N-[4-(7,9,9-trimethylfluoren-2-yl)phenyl]anilino)phenyl]fluoren-2-yl]phenyl]-4-methyl-N-phenylaniline;bis(prop-1-ene) (PubChem CID 158933288) has the molecular formula C219H185N7 and a molecular weight of 2914.94 g/mol. Its IUPAC name is N-[4-[7-[4-(N-[4-(9,9-dibenzyl-7-methylfluoren-2-yl)phenyl]anilino)phenyl]-9,9-dimethylfluoren-2-yl]phenyl]-4-methyl-N-phenylaniline;N-[4-[9,9-dimethyl-7-[4-(N-[4-[4-(N-methylanilino)phenyl]phenyl]anilino)phenyl]fluoren-2-yl]phenyl]-4-methyl-N-phenylaniline;N-[4-[9,9-dimethyl-7-[4-(N-[4-(7,9,9-trimethylfluoren-2-yl)phenyl]anilino)phenyl]fluoren-2-yl]phenyl]-4-methyl-N-phenylaniline;bis(prop-1-ene).
| Compound Name | N-[4-[7-[4-(N-[4-(9,9-dibenzyl-7-methylfluoren-2-yl)phenyl]anilino)phenyl]-9,9-dimethylfluoren-2-yl]phenyl]-4-methyl-N-phenylaniline;N-[4-[9,9-dimethyl-7-[4-(N-[4-[4-(N-methylanilino)phenyl]phenyl]anilino)phenyl]fluoren-2-yl]phenyl]-4-methyl-N-phenylaniline;N-[4-[9,9-dimethyl-7-[4-(N-[4-(7,9,9-trimethylfluoren-2-yl)phenyl]anilino)phenyl]fluoren-2-yl]phenyl]-4-methyl-N-phenylaniline;bis(prop-1-ene) |
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| PubChem CID | 158933288 |
| Molecular Formula | C219H185N7 |
| Molecular Weight | 2914.94 g/mol |
| Exact Mass | 2912.47 |
| IUPAC Name | N-[4-[7-[4-(N-[4-(9,9-dibenzyl-7-methylfluoren-2-yl)phenyl]anilino)phenyl]-9,9-dimethylfluoren-2-yl]phenyl]-4-methyl-N-phenylaniline;N-[4-[9,9-dimethyl-7-[4-(N-[4-[4-(N-methylanilino)phenyl]phenyl]anilino)phenyl]fluoren-2-yl]phenyl]-4-methyl-N-phenylaniline;N-[4-[9,9-dimethyl-7-[4-(N-[4-(7,9,9-trimethylfluoren-2-yl)phenyl]anilino)phenyl]fluoren-2-yl]phenyl]-4-methyl-N-phenylaniline;bis(prop-1-ene) |
| SMILES | C=CC.C=CC.Cc1ccc(N(c2ccccc2)c2ccc(-c3ccc4c(c3)C(C)(C)c3cc(-c5ccc(N(c6ccccc6)c6ccc(-c7ccc(N(C)c8ccccc8)cc7)cc6)cc5)ccc3-4)cc2)cc1.Cc1ccc(N(c2ccccc2)c2ccc(-c3ccc4c(c3)C(C)(C)c3cc(-c5ccc(N(c6ccccc6)c6ccc(-c7ccc8c(c7)C(C)(C)c7cc(C)ccc7-8)cc6)cc5)ccc3-4)cc2)cc1.Cc1ccc(N(c2ccccc2)c2ccc(-c3ccc4c(c3)C(C)(C)c3cc(-c5ccc(N(c6ccccc6)c6ccc(-c7ccc8c(c7)C(Cc7ccccc7)(Cc7ccccc7)c7cc(C)ccc7-8)cc6)cc5)ccc3-4)cc2)cc1 |
| InChI | InChI=1S/C80H64N2.C68H56N2.C65H53N3.2C3H6/c1-55-25-37-67(38-26-55)81(65-21-13-7-14-22-65)68-39-28-59(29-40-68)62-34-46-71-72-47-35-63(51-76(72)79(3,4)75(71)50-62)60-30-41-69(42-31-60)82(66-23-15-8-16-24-66)70-43-32-61(33-44-70)64-36-48-74-73-45-27-56(2)49-77(73)80(78(74)52-64,53-57-17-9-5-10-18-57)54-58-19-11-6-12-20-58;1-45-17-29-55(30-18-45)69(53-13-9-7-10-14-53)56-31-20-48(21-32-56)51-27-39-61-62-40-28-52(44-66(62)68(5,6)65(61)43-51)49-24-35-58(36-25-49)70(54-15-11-8-12-16-54)57-33-22-47(23-34-57)50-26-38-60-59-37-19-46(2)41-63(59)67(3,4)64(60)42-50;1-46-20-32-57(33-21-46)67(55-16-10-6-11-17-55)59-38-26-49(27-39-59)51-30-42-61-62-43-31-52(45-64(62)65(2,3)63(61)44-51)50-28-40-60(41-29-50)68(56-18-12-7-13-19-56)58-36-24-48(25-37-58)47-22-34-54(35-23-47)66(4)53-14-8-5-9-15-53;2*1-3-2/h5-52H,53-54H2,1-4H3;7-44H,1-6H3;5-45H,1-4H3;2*3H,1H2,2H3 |
| InChIKey | JJIJSBNGSMLHDK-UHFFFAOYSA-N |
| XLogP | 60.55 |
| TPSA | 22.68 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 7 |
| Rotatable Bonds | 33 |
| Heavy Atoms | 226 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2914.94 |
| LogP ≤ 5 | 60.55 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 7 |
| Structural Alerts | {'alert_name': 'isolated_alkene', 'substructure': 'N/A'} |
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