C242H190N12 — CID 158613408
4-methyl-N-[4-[1-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]cyclohexyl]phenyl]-N-(4-methylphenyl)aniline;2-N,2-N,2-N',2-N',7-N,7-N,7-N',7-N'-octakis-phenyl-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine;1-N,1-N,3-N,3-N-tetrakis(3-methylphenyl)benzene-1,3-diamine;2-N,2-N',7-N,7-N'-tetranaphthalen-1-yl-2-N,2-N',7-N,7-N'-tetraphenyl-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine (PubChem CID 158613408) has the molecular formula C242H190N12 and a molecular weight of 3266.27 g/mol. Its IUPAC name is 4-methyl-N-[4-[1-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]cyclohexyl]phenyl]-N-(4-methylphenyl)aniline;2-N,2-N,2-N',2-N',7-N,7-N,7-N',7-N'-octakis-phenyl-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine;1-N,1-N,3-N,3-N-tetrakis(3-methylphenyl)benzene-1,3-diamine;2-N,2-N',7-N,7-N'-tetranaphthalen-1-yl-2-N,2-N',7-N,7-N'-tetraphenyl-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine.
| Compound Name | 4-methyl-N-[4-[1-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]cyclohexyl]phenyl]-N-(4-methylphenyl)aniline;2-N,2-N,2-N',2-N',7-N,7-N,7-N',7-N'-octakis-phenyl-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine;1-N,1-N,3-N,3-N-tetrakis(3-methylphenyl)benzene-1,3-diamine;2-N,2-N',7-N,7-N'-tetranaphthalen-1-yl-2-N,2-N',7-N,7-N'-tetraphenyl-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine |
|---|---|
| PubChem CID | 158613408 |
| Molecular Formula | C242H190N12 |
| Molecular Weight | 3266.27 g/mol |
| Exact Mass | 3263.52 |
| IUPAC Name | 4-methyl-N-[4-[1-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]cyclohexyl]phenyl]-N-(4-methylphenyl)aniline;2-N,2-N,2-N',2-N',7-N,7-N,7-N',7-N'-octakis-phenyl-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine;1-N,1-N,3-N,3-N-tetrakis(3-methylphenyl)benzene-1,3-diamine;2-N,2-N',7-N,7-N'-tetranaphthalen-1-yl-2-N,2-N',7-N,7-N'-tetraphenyl-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine |
| SMILES | Cc1ccc(N(c2ccc(C)cc2)c2ccc(C3(c4ccc(N(c5ccc(C)cc5)c5ccc(C)cc5)cc4)CCCCC3)cc2)cc1.Cc1cccc(N(c2cccc(C)c2)c2cccc(N(c3cccc(C)c3)c3cccc(C)c3)c2)c1.c1ccc(N(c2ccc3c(c2)C2(c4cc(N(c5ccccc5)c5cccc6ccccc56)ccc4-3)c3cc(N(c4ccccc4)c4cccc5ccccc45)ccc3-c3ccc(N(c4ccccc4)c4cccc5ccccc45)cc32)c2cccc3ccccc23)cc1.c1ccc(N(c2ccccc2)c2ccc3c(c2)C2(c4cc(N(c5ccccc5)c5ccccc5)ccc4-3)c3cc(N(c4ccccc4)c4ccccc4)ccc3-c3ccc(N(c4ccccc4)c4ccccc4)cc32)cc1 |
| InChI | InChI=1S/C89H60N4.C73H52N4.C46H46N2.C34H32N2/c1-5-33-65(34-6-1)90(85-45-21-29-61-25-13-17-41-73(61)85)69-49-53-77-78-54-50-70(91(66-35-7-2-8-36-66)86-46-22-30-62-26-14-18-42-74(62)86)58-82(78)89(81(77)57-69)83-59-71(92(67-37-9-3-10-38-67)87-47-23-31-63-27-15-19-43-75(63)87)51-55-79(83)80-56-52-72(60-84(80)89)93(68-39-11-4-12-40-68)88-48-24-32-64-28-16-20-44-76(64)88;1-9-25-53(26-10-1)74(54-27-11-2-12-28-54)61-41-45-65-66-46-42-62(75(55-29-13-3-14-30-55)56-31-15-4-16-32-56)50-70(66)73(69(65)49-61)71-51-63(76(57-33-17-5-18-34-57)58-35-19-6-20-36-58)43-47-67(71)68-48-44-64(52-72(68)73)77(59-37-21-7-22-38-59)60-39-23-8-24-40-60;1-34-8-20-40(21-9-34)47(41-22-10-35(2)11-23-41)44-28-16-38(17-29-44)46(32-6-5-7-33-46)39-18-30-45(31-19-39)48(42-24-12-36(3)13-25-42)43-26-14-37(4)15-27-43;1-25-10-5-14-29(20-25)35(30-15-6-11-26(2)21-30)33-18-9-19-34(24-33)36(31-16-7-12-27(3)22-31)32-17-8-13-28(4)23-32/h1-60H;1-52H;8-31H,5-7,32-33H2,1-4H3;5-24H,1-4H3 |
| InChIKey | HXCNEQREGSGWSY-UHFFFAOYSA-N |
| XLogP | 67.40 |
| TPSA | 38.88 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 12 |
| Rotatable Bonds | 38 |
| Heavy Atoms | 254 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3266.27 |
| LogP ≤ 5 | 67.40 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 12 |