About 4-[(4-aminophenyl)methyl]aniline;2-[4-[[4-(5,6-dimethyl-1,3-dioxo-4,7-diphenyl-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)phenyl]methyl]phenyl]-5-[2-[4-[[4-(5,6-dimethyl-1,3-dioxo-4,7-diphenyl-3a,4,7,7a-tetrahydroisoindol-2-yl)phenyl]methyl]phenyl]-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione;5-(1,3-dioxo-2-benzofuran-5-carbonyl)-2-benzofuran-1,3-dione;2-[4-[[4-(1,3-dioxo-4,7-diphenyl-3a,4,7,7a-tetrahydroisoindol-2-yl)phenyl]methyl]phenyl]-5-[2-[4-[[4-(1,3-dioxo-4,7-diphenyl-3a,4,7,7a-tetrahydroisoindol-2-yl)phenyl]methyl]phenyl]-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione;methane;6-methoxycarbonyl-2,5-diphenylcyclohex-3-ene-1-carboxylic acid
4-[(4-aminophenyl)methyl]aniline;2-[4-[[4-(5,6-dimethyl-1,3-dioxo-4,7-diphenyl-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)phenyl]methyl]phenyl]-5-[2-[4-[[4-(5,6-dimethyl-1,3-dioxo-4,7-diphenyl-3a,4,7,7a-tetrahydroisoindol-2-yl)phenyl]methyl]phenyl]-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione;5-(1,3-dioxo-2-benzofuran-5-carbonyl)-2-benzofuran-1,3-dione;2-[4-[[4-(1,3-dioxo-4,7-diphenyl-3a,4,7,7a-tetrahydroisoindol-2-yl)phenyl]methyl]phenyl]-5-[2-[4-[[4-(1,3-dioxo-4,7-diphenyl-3a,4,7,7a-tetrahydroisoindol-2-yl)phenyl]methyl]phenyl]-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione;methane;6-methoxycarbonyl-2,5-diphenylcyclohex-3-ene-1-carboxylic acid (PubChem CID 159982761) has the molecular formula C223H174N10O29
and a molecular weight of 3457.89 g/mol. Its IUPAC name is 4-[(4-aminophenyl)methyl]aniline;2-[4-[[4-(5,6-dimethyl-1,3-dioxo-4,7-diphenyl-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)phenyl]methyl]phenyl]-5-[2-[4-[[4-(5,6-dimethyl-1,3-dioxo-4,7-diphenyl-3a,4,7,7a-tetrahydroisoindol-2-yl)phenyl]methyl]phenyl]-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione;5-(1,3-dioxo-2-benzofuran-5-carbonyl)-2-benzofuran-1,3-dione;2-[4-[[4-(1,3-dioxo-4,7-diphenyl-3a,4,7,7a-tetrahydroisoindol-2-yl)phenyl]methyl]phenyl]-5-[2-[4-[[4-(1,3-dioxo-4,7-diphenyl-3a,4,7,7a-tetrahydroisoindol-2-yl)phenyl]methyl]phenyl]-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione;methane;6-methoxycarbonyl-2,5-diphenylcyclohex-3-ene-1-carboxylic acid.
Frequently Asked Questions
What is the IUPAC name of 4-[(4-aminophenyl)methyl]aniline;2-[4-[[4-(5,6-dimethyl-1,3-dioxo-4,7-diphenyl-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)phenyl]methyl]phenyl]-5-[2-[4-[[4-(5,6-dimethyl-1,3-dioxo-4,7-diphenyl-3a,4,7,7a-tetrahydroisoindol-2-yl)phenyl]methyl]phenyl]-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione;5-(1,3-dioxo-2-benzofuran-5-carbonyl)-2-benzofuran-1,3-dione;2-[4-[[4-(1,3-dioxo-4,7-diphenyl-3a,4,7,7a-tetrahydroisoindol-2-yl)phenyl]methyl]phenyl]-5-[2-[4-[[4-(1,3-dioxo-4,7-diphenyl-3a,4,7,7a-tetrahydroisoindol-2-yl)phenyl]methyl]phenyl]-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione;methane;6-methoxycarbonyl-2,5-diphenylcyclohex-3-ene-1-carboxylic acid?
The IUPAC name of 4-[(4-aminophenyl)methyl]aniline;2-[4-[[4-(5,6-dimethyl-1,3-dioxo-4,7-diphenyl-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)phenyl]methyl]phenyl]-5-[2-[4-[[4-(5,6-dimethyl-1,3-dioxo-4,7-diphenyl-3a,4,7,7a-tetrahydroisoindol-2-yl)phenyl]methyl]phenyl]-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione;5-(1,3-dioxo-2-benzofuran-5-carbonyl)-2-benzofuran-1,3-dione;2-[4-[[4-(1,3-dioxo-4,7-diphenyl-3a,4,7,7a-tetrahydroisoindol-2-yl)phenyl]methyl]phenyl]-5-[2-[4-[[4-(1,3-dioxo-4,7-diphenyl-3a,4,7,7a-tetrahydroisoindol-2-yl)phenyl]methyl]phenyl]-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione;methane;6-methoxycarbonyl-2,5-diphenylcyclohex-3-ene-1-carboxylic acid (CID 159982761) is 4-[(4-aminophenyl)methyl]aniline;2-[4-[[4-(5,6-dimethyl-1,3-dioxo-4,7-diphenyl-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)phenyl]methyl]phenyl]-5-[2-[4-[[4-(5,6-dimethyl-1,3-dioxo-4,7-diphenyl-3a,4,7,7a-tetrahydroisoindol-2-yl)phenyl]methyl]phenyl]-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione;5-(1,3-dioxo-2-benzofuran-5-carbonyl)-2-benzofuran-1,3-dione;2-[4-[[4-(1,3-dioxo-4,7-diphenyl-3a,4,7,7a-tetrahydroisoindol-2-yl)phenyl]methyl]phenyl]-5-[2-[4-[[4-(1,3-dioxo-4,7-diphenyl-3a,4,7,7a-tetrahydroisoindol-2-yl)phenyl]methyl]phenyl]-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione;methane;6-methoxycarbonyl-2,5-diphenylcyclohex-3-ene-1-carboxylic acid.
What is the SMILES notation for 4-[(4-aminophenyl)methyl]aniline;2-[4-[[4-(5,6-dimethyl-1,3-dioxo-4,7-diphenyl-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)phenyl]methyl]phenyl]-5-[2-[4-[[4-(5,6-dimethyl-1,3-dioxo-4,7-diphenyl-3a,4,7,7a-tetrahydroisoindol-2-yl)phenyl]methyl]phenyl]-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione;5-(1,3-dioxo-2-benzofuran-5-carbonyl)-2-benzofuran-1,3-dione;2-[4-[[4-(1,3-dioxo-4,7-diphenyl-3a,4,7,7a-tetrahydroisoindol-2-yl)phenyl]methyl]phenyl]-5-[2-[4-[[4-(1,3-dioxo-4,7-diphenyl-3a,4,7,7a-tetrahydroisoindol-2-yl)phenyl]methyl]phenyl]-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione;methane;6-methoxycarbonyl-2,5-diphenylcyclohex-3-ene-1-carboxylic acid?
The canonical SMILES for 4-[(4-aminophenyl)methyl]aniline;2-[4-[[4-(5,6-dimethyl-1,3-dioxo-4,7-diphenyl-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)phenyl]methyl]phenyl]-5-[2-[4-[[4-(5,6-dimethyl-1,3-dioxo-4,7-diphenyl-3a,4,7,7a-tetrahydroisoindol-2-yl)phenyl]methyl]phenyl]-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione;5-(1,3-dioxo-2-benzofuran-5-carbonyl)-2-benzofuran-1,3-dione;2-[4-[[4-(1,3-dioxo-4,7-diphenyl-3a,4,7,7a-tetrahydroisoindol-2-yl)phenyl]methyl]phenyl]-5-[2-[4-[[4-(1,3-dioxo-4,7-diphenyl-3a,4,7,7a-tetrahydroisoindol-2-yl)phenyl]methyl]phenyl]-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione;methane;6-methoxycarbonyl-2,5-diphenylcyclohex-3-ene-1-carboxylic acid is C.C.CC1=C(C)C(c2ccccc2)C2C(=O)N(c3ccc(Cc4ccc(N5C(=O)c6ccc(C(=O)c7ccc8c(c7)C(=O)N(c7ccc(Cc9ccc(N%10C(=O)C%11C(C%10=O)C(c%10ccccc%10)C(C)C(C)C%11c%10ccccc%10)cc9)cc7)C8=O)cc6C5=O)cc4)cc3)C(=O)C2C1c1ccccc1.COC(=O)C1C(c2ccccc2)C=CC(c2ccccc2)C1C(=O)O.Nc1ccc(Cc2ccc(N)cc2)cc1.O=C(c1ccc2c(c1)C(=O)N(c1ccc(Cc3ccc(N4C(=O)C5C(c6ccccc6)C=CC(c6ccccc6)C5C4=O)cc3)cc1)C2=O)c1ccc2c(c1)C(=O)N(c1ccc(Cc3ccc(N4C(=O)C5C(c6ccccc6)C=CC(c6ccccc6)C5C4=O)cc3)cc1)C2=O.O=C(c1ccc2c(c1)C(=O)OC2=O)c1ccc2c(c1)C(=O)OC2=O.
What is the InChIKey of 4-[(4-aminophenyl)methyl]aniline;2-[4-[[4-(5,6-dimethyl-1,3-dioxo-4,7-diphenyl-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)phenyl]methyl]phenyl]-5-[2-[4-[[4-(5,6-dimethyl-1,3-dioxo-4,7-diphenyl-3a,4,7,7a-tetrahydroisoindol-2-yl)phenyl]methyl]phenyl]-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione;5-(1,3-dioxo-2-benzofuran-5-carbonyl)-2-benzofuran-1,3-dione;2-[4-[[4-(1,3-dioxo-4,7-diphenyl-3a,4,7,7a-tetrahydroisoindol-2-yl)phenyl]methyl]phenyl]-5-[2-[4-[[4-(1,3-dioxo-4,7-diphenyl-3a,4,7,7a-tetrahydroisoindol-2-yl)phenyl]methyl]phenyl]-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione;methane;6-methoxycarbonyl-2,5-diphenylcyclohex-3-ene-1-carboxylic acid?
The InChIKey is OFZCUWDSOJEBTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C87H68N4O9.C83H58N4O9.C21H20O4.C17H6O7.C13H14N2.2CH4/c1-49-50(2)72(58-19-11-6-12-20-58)76-75(71(49)57-17-9-5-10-18-57)84(97)90(85(76)98)65-39-29-55(30-40-65)45-53-25-35-63(36-26-53)88-80(93)67-43-33-61(47-69(67)82(88)95)79(92)62-34-44-68-70(48-62)83(96)89(81(68)94)64-37-27-54(28-38-64)46-56-31-41-66(42-32-56)91-86(99)77-73(59-21-13-7-14-22-59)51(3)52(4)74(78(77)87(91)100)60-23-15-8-16-24-60;88-75(57-29-39-67-69(47-57)78(91)84(76(67)89)59-31-21-49(22-32-59)45-51-25-35-61(36-26-51)86-80(93)71-63(53-13-5-1-6-14-53)41-42-64(72(71)81(86)94)54-15-7-2-8-16-54)58-30-40-68-70(48-58)79(92)85(77(68)90)60-33-23-50(24-34-60)46-52-27-37-62(38-28-52)87-82(95)73-65(55-17-9-3-10-18-55)43-44-66(74(73)83(87)96)56-19-11-4-12-20-56;1-25-21(24)19-17(15-10-6-3-7-11-15)13-12-16(18(19)20(22)23)14-8-4-2-5-9-14;18-13(7-1-3-9-11(5-7)16(21)23-14(9)19)8-2-4-10-12(6-8)17(22)24-15(10)20;14-12-5-1-10(2-6-12)9-11-3-7-13(15)8-4-11;;/h5-44,47-50,71-78H,45-46H2,1-4H3;1-44,47-48,63-66,71-74H,45-46H2;2-13,16-19H,1H3,(H,22,23);1-6H;1-8H,9,14-15H2;2*1H4.
What are the key properties of 4-[(4-aminophenyl)methyl]aniline;2-[4-[[4-(5,6-dimethyl-1,3-dioxo-4,7-diphenyl-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)phenyl]methyl]phenyl]-5-[2-[4-[[4-(5,6-dimethyl-1,3-dioxo-4,7-diphenyl-3a,4,7,7a-tetrahydroisoindol-2-yl)phenyl]methyl]phenyl]-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione;5-(1,3-dioxo-2-benzofuran-5-carbonyl)-2-benzofuran-1,3-dione;2-[4-[[4-(1,3-dioxo-4,7-diphenyl-3a,4,7,7a-tetrahydroisoindol-2-yl)phenyl]methyl]phenyl]-5-[2-[4-[[4-(1,3-dioxo-4,7-diphenyl-3a,4,7,7a-tetrahydroisoindol-2-yl)phenyl]methyl]phenyl]-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione;methane;6-methoxycarbonyl-2,5-diphenylcyclohex-3-ene-1-carboxylic acid?
4-[(4-aminophenyl)methyl]aniline;2-[4-[[4-(5,6-dimethyl-1,3-dioxo-4,7-diphenyl-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)phenyl]methyl]phenyl]-5-[2-[4-[[4-(5,6-dimethyl-1,3-dioxo-4,7-diphenyl-3a,4,7,7a-tetrahydroisoindol-2-yl)phenyl]methyl]phenyl]-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione;5-(1,3-dioxo-2-benzofuran-5-carbonyl)-2-benzofuran-1,3-dione;2-[4-[[4-(1,3-dioxo-4,7-diphenyl-3a,4,7,7a-tetrahydroisoindol-2-yl)phenyl]methyl]phenyl]-5-[2-[4-[[4-(1,3-dioxo-4,7-diphenyl-3a,4,7,7a-tetrahydroisoindol-2-yl)phenyl]methyl]phenyl]-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione;methane;6-methoxycarbonyl-2,5-diphenylcyclohex-3-ene-1-carboxylic acid has a molecular weight of 3457.89 g/mol, XLogP of 38.74, 36 rotatable bonds, 3 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-aminophenyl)methyl]aniline;2-[4-[[4-(5,6-dimethyl-1,3-dioxo-4,7-diphenyl-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)phenyl]methyl]phenyl]-5-[2-[4-[[4-(5,6-dimethyl-1,3-dioxo-4,7-diphenyl-3a,4,7,7a-tetrahydroisoindol-2-yl)phenyl]methyl]phenyl]-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione;5-(1,3-dioxo-2-benzofuran-5-carbonyl)-2-benzofuran-1,3-dione;2-[4-[[4-(1,3-dioxo-4,7-diphenyl-3a,4,7,7a-tetrahydroisoindol-2-yl)phenyl]methyl]phenyl]-5-[2-[4-[[4-(1,3-dioxo-4,7-diphenyl-3a,4,7,7a-tetrahydroisoindol-2-yl)phenyl]methyl]phenyl]-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione;methane;6-methoxycarbonyl-2,5-diphenylcyclohex-3-ene-1-carboxylic acid is sourced from PubChem (CID 159982761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).