5-[1,1,1,3,3,3-hexafluoro-2-(7-methyl-2-oxo-3-phenyl-3H-1-benzofuran-5-yl)propan-2-yl]-4,7-dimethyl-3-phenyl-3H-1-benzofuran-2-one;bis(7-methyl-5-[2-(7-methyl-2-oxo-3-phenyl-3H-1-benzofuran-5-yl)propan-2-yl]-3-phenyl-3H-1-benzofuran-2-one);7-methyl-5-[2-(2-oxo-3-phenyl-3H-1-benzofuran-5-yl)propan-2-yl]-3-phenyl-3H-1-benzofuran-2-one;5-(2-oxo-3-phenyl-3H-1-benzofuran-5-carbonyl)-3-phenyl-3H-1-benzofuran-2-one;5-[1-(2-oxo-3-phenyl-3H-1-benzofuran-5-yl)cyclohexyl]-3-phenyl-3H-1-benzofuran-2-one;5-[1-(2-oxo-3-phenyl-3H-1-benzofuran-5-yl)ethyl]-3-phenyl-3H-1-benzofuran-2-one;5-[(2-oxo-3-phenyl-3H-1-benzofuran-5-yl)methyl]-3-phenyl-3H-1-benzofuran-2-one;5-[1-(2-oxo-3-phenyl-3H-1-benzofuran-5-yl)-1-phenylethyl]-3-phenyl-3H-1-benzofuran-2-one;9,12,14,20-tetramethyl-5,16-diphenyl-7,18-dioxapentacyclo[11.7.0.03,11.04,8.015,19]icosa-1(20),3(11),4(8),9,13,15(19)-hexaene-6,17-dione

C324H248F6O41 — CID 157490197

IUPAC5-[1,1,1,3,3,3-hexafluoro-2-(7-methyl-2-oxo-3-phenyl-3H-1-benzofuran-5-yl)propan-2-yl]-4,7-dimethyl-3-phenyl-3H-1-benzofuran-2-one;bis(7-methyl-5-[2-(7-methyl-2-oxo-3-phenyl-3H-1-benzofuran-5-yl)propan-2-yl]-3-phenyl-3H-1-benzofuran-2-one);7-methyl-5-[2-(2-oxo-3-phenyl-3H-1-benzofuran-5-yl)propan-2-yl]-3-phenyl-3H-1-benzofuran-2-one;5-(2-oxo-3-phenyl-3H-1-benzofuran-5-carbonyl)-3-phenyl-3H-1-benzofuran-2-one;5-[1-(2-oxo-3-phenyl-3H-1-benzofuran-5-yl)cyclohexyl]-3-phenyl-3H-1-benzofuran-2-one;5-[1-(2-oxo-3-phenyl-3H-1-benzofuran-5-yl)ethyl]-3-phenyl-3H-1-benzofuran-2-one;5-[(2-oxo-3-phenyl-3H-1-benzofuran-5-yl)methyl]-3-phenyl-3H-1-benzofuran-2-one;5-[1-(2-oxo-3-phenyl-3H-1-benzofuran-5-yl)-1-phenylethyl]-3-phenyl-3H-1-benzofuran-2-one;9,12,14,20-tetramethyl-5,16-diphenyl-7,18-dioxapentacyclo[11.7.0.03,11.04,8.015,19]icosa-1(20),3(11),4(8),9,13,15(19)-hexaene-6,17-dione
SMILESCC(c1ccc2c(c1)C(c1ccccc1)C(=O)O2)c1ccc2c(c1)C(c1ccccc1)C(=O)O2.CC(c1ccccc1)(c1ccc2c(c1)C(c1ccccc1)C(=O)O2)c1ccc2c(c1)C(c1ccccc1)C(=O)O2.Cc1cc(C(C)(C)c2cc(C)c3c(c2)C(c2ccccc2)C(=O)O3)cc2c1OC(=O)C2c1ccccc1.Cc1cc(C(C)(C)c2cc(C)c3c(c2)C(c2ccccc2)C(=O)O3)cc2c1OC(=O)C2c1ccccc1.Cc1cc(C(C)(C)c2ccc3c(c2)C(c2ccccc2)C(=O)O3)cc2c1OC(=O)C2c1ccccc1.Cc1cc(C(c2cc(C)c3c(c2C)C(c2ccccc2)C(=O)O3)(C(F)(F)F)C(F)(F)F)cc2c1OC(=O)C2c1ccccc1.Cc1cc2c(c3c1OC(=O)C3c1ccccc1)Cc1c(C)c3c(c(C)c1C2C)C(c1ccccc1)C(=O)O3.O=C(c1ccc2c(c1)C(c1ccccc1)C(=O)O2)c1ccc2c(c1)C(c1ccccc1)C(=O)O2.O=C1Oc2ccc(C3(c4ccc5c(c4)C(c4ccccc4)C(=O)O5)CCCCC3)cc2C1c1ccccc1.O=C1Oc2ccc(Cc3ccc4c(c3)C(c3ccccc3)C(=O)O4)cc2C1c1ccccc1
InChIInChI=1S/C36H26O4.C34H24F6O4.2C34H28O4.2C33H28O4.C32H26O4.C30H22O4.C29H18O5.C29H20O4/c1-36(25-15-9-4-10-16-25,26-17-19-30-28(21-26)32(34(37)39-30)23-11-5-2-6-12-23)27-18-20-31-29(22-27)33(35(38)40-31)24-13-7-3-8-14-24;1-17-14-22(16-23-26(30(41)43-28(17)23)20-10-6-4-7-11-20)32(33(35,36)37,34(38,39)40)24-15-18(2)29-25(19(24)3)27(31(42)44-29)21-12-8-5-9-13-21;1-17-15-23-18(2)26-20(4)27-28(21-11-7-5-8-12-21)33(35)38-32(27)19(3)24(26)16-25(23)30-29(34(36)37-31(17)30)22-13-9-6-10-14-22;35-32-30(22-10-4-1-5-11-22)26-20-24(14-16-28(26)37-32)34(18-8-3-9-19-34)25-15-17-29-27(21-25)31(33(36)38-29)23-12-6-2-7-13-23;2*1-19-15-23(17-25-27(31(34)36-29(19)25)21-11-7-5-8-12-21)33(3,4)24-16-20(2)30-26(18-24)28(32(35)37-30)22-13-9-6-10-14-22;1-19-16-23(18-25-28(31(34)36-29(19)25)21-12-8-5-9-13-21)32(2,3)22-14-15-26-24(17-22)27(30(33)35-26)20-10-6-4-7-11-20;1-18(21-12-14-25-23(16-21)27(29(31)33-25)19-8-4-2-5-9-19)22-13-15-26-24(17-22)28(30(32)34-26)20-10-6-3-7-11-20;30-27(19-11-13-23-21(15-19)25(28(31)33-23)17-7-3-1-4-8-17)20-12-14-24-22(16-20)26(29(32)34-24)18-9-5-2-6-10-18;30-28-26(20-7-3-1-4-8-20)22-16-18(11-13-24(22)32-28)15-19-12-14-25-23(17-19)27(29(31)33-25)21-9-5-2-6-10-21/h2-22,32-33H,1H3;4-16,26-27H,1-3H3;5-15,18,28-29H,16H2,1-4H3;1-2,4-7,10-17,20-21,30-31H,3,8-9,18-19H2;2*5-18,27-28H,1-4H3;4-18,27-28H,1-3H3;2-18,27-28H,1H3;1-16,25-26H;1-14,16-17,26-27H,15H2
InChIKeyBXEHPEDFEVPCEC-UHFFFAOYSA-N
MW4911.49 g/mol
LogP65.30
Rot. Bonds39

About 5-[1,1,1,3,3,3-hexafluoro-2-(7-methyl-2-oxo-3-phenyl-3H-1-benzofuran-5-yl)propan-2-yl]-4,7-dimethyl-3-phenyl-3H-1-benzofuran-2-one;bis(7-methyl-5-[2-(7-methyl-2-oxo-3-phenyl-3H-1-benzofuran-5-yl)propan-2-yl]-3-phenyl-3H-1-benzofuran-2-one);7-methyl-5-[2-(2-oxo-3-phenyl-3H-1-benzofuran-5-yl)propan-2-yl]-3-phenyl-3H-1-benzofuran-2-one;5-(2-oxo-3-phenyl-3H-1-benzofuran-5-carbonyl)-3-phenyl-3H-1-benzofuran-2-one;5-[1-(2-oxo-3-phenyl-3H-1-benzofuran-5-yl)cyclohexyl]-3-phenyl-3H-1-benzofuran-2-one;5-[1-(2-oxo-3-phenyl-3H-1-benzofuran-5-yl)ethyl]-3-phenyl-3H-1-benzofuran-2-one;5-[(2-oxo-3-phenyl-3H-1-benzofuran-5-yl)methyl]-3-phenyl-3H-1-benzofuran-2-one;5-[1-(2-oxo-3-phenyl-3H-1-benzofuran-5-yl)-1-phenylethyl]-3-phenyl-3H-1-benzofuran-2-one;9,12,14,20-tetramethyl-5,16-diphenyl-7,18-dioxapentacyclo[11.7.0.03,11.04,8.015,19]icosa-1(20),3(11),4(8),9,13,15(19)-hexaene-6,17-dione

5-[1,1,1,3,3,3-hexafluoro-2-(7-methyl-2-oxo-3-phenyl-3H-1-benzofuran-5-yl)propan-2-yl]-4,7-dimethyl-3-phenyl-3H-1-benzofuran-2-one;bis(7-methyl-5-[2-(7-methyl-2-oxo-3-phenyl-3H-1-benzofuran-5-yl)propan-2-yl]-3-phenyl-3H-1-benzofuran-2-one);7-methyl-5-[2-(2-oxo-3-phenyl-3H-1-benzofuran-5-yl)propan-2-yl]-3-phenyl-3H-1-benzofuran-2-one;5-(2-oxo-3-phenyl-3H-1-benzofuran-5-carbonyl)-3-phenyl-3H-1-benzofuran-2-one;5-[1-(2-oxo-3-phenyl-3H-1-benzofuran-5-yl)cyclohexyl]-3-phenyl-3H-1-benzofuran-2-one;5-[1-(2-oxo-3-phenyl-3H-1-benzofuran-5-yl)ethyl]-3-phenyl-3H-1-benzofuran-2-one;5-[(2-oxo-3-phenyl-3H-1-benzofuran-5-yl)methyl]-3-phenyl-3H-1-benzofuran-2-one;5-[1-(2-oxo-3-phenyl-3H-1-benzofuran-5-yl)-1-phenylethyl]-3-phenyl-3H-1-benzofuran-2-one;9,12,14,20-tetramethyl-5,16-diphenyl-7,18-dioxapentacyclo[11.7.0.03,11.04,8.015,19]icosa-1(20),3(11),4(8),9,13,15(19)-hexaene-6,17-dione (PubChem CID 157490197) has the molecular formula C324H248F6O41 and a molecular weight of 4911.49 g/mol. Its IUPAC name is 5-[1,1,1,3,3,3-hexafluoro-2-(7-methyl-2-oxo-3-phenyl-3H-1-benzofuran-5-yl)propan-2-yl]-4,7-dimethyl-3-phenyl-3H-1-benzofuran-2-one;bis(7-methyl-5-[2-(7-methyl-2-oxo-3-phenyl-3H-1-benzofuran-5-yl)propan-2-yl]-3-phenyl-3H-1-benzofuran-2-one);7-methyl-5-[2-(2-oxo-3-phenyl-3H-1-benzofuran-5-yl)propan-2-yl]-3-phenyl-3H-1-benzofuran-2-one;5-(2-oxo-3-phenyl-3H-1-benzofuran-5-carbonyl)-3-phenyl-3H-1-benzofuran-2-one;5-[1-(2-oxo-3-phenyl-3H-1-benzofuran-5-yl)cyclohexyl]-3-phenyl-3H-1-benzofuran-2-one;5-[1-(2-oxo-3-phenyl-3H-1-benzofuran-5-yl)ethyl]-3-phenyl-3H-1-benzofuran-2-one;5-[(2-oxo-3-phenyl-3H-1-benzofuran-5-yl)methyl]-3-phenyl-3H-1-benzofuran-2-one;5-[1-(2-oxo-3-phenyl-3H-1-benzofuran-5-yl)-1-phenylethyl]-3-phenyl-3H-1-benzofuran-2-one;9,12,14,20-tetramethyl-5,16-diphenyl-7,18-dioxapentacyclo[11.7.0.03,11.04,8.015,19]icosa-1(20),3(11),4(8),9,13,15(19)-hexaene-6,17-dione.

Molecular Properties

Compound Name5-[1,1,1,3,3,3-hexafluoro-2-(7-methyl-2-oxo-3-phenyl-3H-1-benzofuran-5-yl)propan-2-yl]-4,7-dimethyl-3-phenyl-3H-1-benzofuran-2-one;bis(7-methyl-5-[2-(7-methyl-2-oxo-3-phenyl-3H-1-benzofuran-5-yl)propan-2-yl]-3-phenyl-3H-1-benzofuran-2-one);7-methyl-5-[2-(2-oxo-3-phenyl-3H-1-benzofuran-5-yl)propan-2-yl]-3-phenyl-3H-1-benzofuran-2-one;5-(2-oxo-3-phenyl-3H-1-benzofuran-5-carbonyl)-3-phenyl-3H-1-benzofuran-2-one;5-[1-(2-oxo-3-phenyl-3H-1-benzofuran-5-yl)cyclohexyl]-3-phenyl-3H-1-benzofuran-2-one;5-[1-(2-oxo-3-phenyl-3H-1-benzofuran-5-yl)ethyl]-3-phenyl-3H-1-benzofuran-2-one;5-[(2-oxo-3-phenyl-3H-1-benzofuran-5-yl)methyl]-3-phenyl-3H-1-benzofuran-2-one;5-[1-(2-oxo-3-phenyl-3H-1-benzofuran-5-yl)-1-phenylethyl]-3-phenyl-3H-1-benzofuran-2-one;9,12,14,20-tetramethyl-5,16-diphenyl-7,18-dioxapentacyclo[11.7.0.03,11.04,8.015,19]icosa-1(20),3(11),4(8),9,13,15(19)-hexaene-6,17-dione
PubChem CID157490197
Molecular FormulaC324H248F6O41
Molecular Weight4911.49 g/mol
Exact Mass4907.72
IUPAC Name5-[1,1,1,3,3,3-hexafluoro-2-(7-methyl-2-oxo-3-phenyl-3H-1-benzofuran-5-yl)propan-2-yl]-4,7-dimethyl-3-phenyl-3H-1-benzofuran-2-one;bis(7-methyl-5-[2-(7-methyl-2-oxo-3-phenyl-3H-1-benzofuran-5-yl)propan-2-yl]-3-phenyl-3H-1-benzofuran-2-one);7-methyl-5-[2-(2-oxo-3-phenyl-3H-1-benzofuran-5-yl)propan-2-yl]-3-phenyl-3H-1-benzofuran-2-one;5-(2-oxo-3-phenyl-3H-1-benzofuran-5-carbonyl)-3-phenyl-3H-1-benzofuran-2-one;5-[1-(2-oxo-3-phenyl-3H-1-benzofuran-5-yl)cyclohexyl]-3-phenyl-3H-1-benzofuran-2-one;5-[1-(2-oxo-3-phenyl-3H-1-benzofuran-5-yl)ethyl]-3-phenyl-3H-1-benzofuran-2-one;5-[(2-oxo-3-phenyl-3H-1-benzofuran-5-yl)methyl]-3-phenyl-3H-1-benzofuran-2-one;5-[1-(2-oxo-3-phenyl-3H-1-benzofuran-5-yl)-1-phenylethyl]-3-phenyl-3H-1-benzofuran-2-one;9,12,14,20-tetramethyl-5,16-diphenyl-7,18-dioxapentacyclo[11.7.0.03,11.04,8.015,19]icosa-1(20),3(11),4(8),9,13,15(19)-hexaene-6,17-dione
SMILESCC(c1ccc2c(c1)C(c1ccccc1)C(=O)O2)c1ccc2c(c1)C(c1ccccc1)C(=O)O2.CC(c1ccccc1)(c1ccc2c(c1)C(c1ccccc1)C(=O)O2)c1ccc2c(c1)C(c1ccccc1)C(=O)O2.Cc1cc(C(C)(C)c2cc(C)c3c(c2)C(c2ccccc2)C(=O)O3)cc2c1OC(=O)C2c1ccccc1.Cc1cc(C(C)(C)c2cc(C)c3c(c2)C(c2ccccc2)C(=O)O3)cc2c1OC(=O)C2c1ccccc1.Cc1cc(C(C)(C)c2ccc3c(c2)C(c2ccccc2)C(=O)O3)cc2c1OC(=O)C2c1ccccc1.Cc1cc(C(c2cc(C)c3c(c2C)C(c2ccccc2)C(=O)O3)(C(F)(F)F)C(F)(F)F)cc2c1OC(=O)C2c1ccccc1.Cc1cc2c(c3c1OC(=O)C3c1ccccc1)Cc1c(C)c3c(c(C)c1C2C)C(c1ccccc1)C(=O)O3.O=C(c1ccc2c(c1)C(c1ccccc1)C(=O)O2)c1ccc2c(c1)C(c1ccccc1)C(=O)O2.O=C1Oc2ccc(C3(c4ccc5c(c4)C(c4ccccc4)C(=O)O5)CCCCC3)cc2C1c1ccccc1.O=C1Oc2ccc(Cc3ccc4c(c3)C(c3ccccc3)C(=O)O4)cc2C1c1ccccc1
InChIInChI=1S/C36H26O4.C34H24F6O4.2C34H28O4.2C33H28O4.C32H26O4.C30H22O4.C29H18O5.C29H20O4/c1-36(25-15-9-4-10-16-25,26-17-19-30-28(21-26)32(34(37)39-30)23-11-5-2-6-12-23)27-18-20-31-29(22-27)33(35(38)40-31)24-13-7-3-8-14-24;1-17-14-22(16-23-26(30(41)43-28(17)23)20-10-6-4-7-11-20)32(33(35,36)37,34(38,39)40)24-15-18(2)29-25(19(24)3)27(31(42)44-29)21-12-8-5-9-13-21;1-17-15-23-18(2)26-20(4)27-28(21-11-7-5-8-12-21)33(35)38-32(27)19(3)24(26)16-25(23)30-29(34(36)37-31(17)30)22-13-9-6-10-14-22;35-32-30(22-10-4-1-5-11-22)26-20-24(14-16-28(26)37-32)34(18-8-3-9-19-34)25-15-17-29-27(21-25)31(33(36)38-29)23-12-6-2-7-13-23;2*1-19-15-23(17-25-27(31(34)36-29(19)25)21-11-7-5-8-12-21)33(3,4)24-16-20(2)30-26(18-24)28(32(35)37-30)22-13-9-6-10-14-22;1-19-16-23(18-25-28(31(34)36-29(19)25)21-12-8-5-9-13-21)32(2,3)22-14-15-26-24(17-22)27(30(33)35-26)20-10-6-4-7-11-20;1-18(21-12-14-25-23(16-21)27(29(31)33-25)19-8-4-2-5-9-19)22-13-15-26-24(17-22)28(30(32)34-26)20-10-6-3-7-11-20;30-27(19-11-13-23-21(15-19)25(28(31)33-23)17-7-3-1-4-8-17)20-12-14-24-22(16-20)26(29(32)34-24)18-9-5-2-6-10-18;30-28-26(20-7-3-1-4-8-20)22-16-18(11-13-24(22)32-28)15-19-12-14-25-23(17-19)27(29(31)33-25)21-9-5-2-6-10-21/h2-22,32-33H,1H3;4-16,26-27H,1-3H3;5-15,18,28-29H,16H2,1-4H3;1-2,4-7,10-17,20-21,30-31H,3,8-9,18-19H2;2*5-18,27-28H,1-4H3;4-18,27-28H,1-3H3;2-18,27-28H,1H3;1-16,25-26H;1-14,16-17,26-27H,15H2
InChIKeyBXEHPEDFEVPCEC-UHFFFAOYSA-N
XLogP65.30
TPSA543.07 Ų
H-Bond Donors
H-Bond Acceptors41
Rotatable Bonds39
Heavy Atoms371
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004911.49
LogP ≤ 565.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1041

Analyze 5-[1,1,1,3,3,3-hexafluoro-2-(7-methyl-2-oxo-3-phenyl-3H-1-benzofuran-5-yl)propan-2-yl]-4,7-dimethyl-3-phenyl-3H-1-benzofuran-2-one;bis(7-methyl-5-[2-(7-methyl-2-oxo-3-phenyl-3H-1-benzofuran-5-yl)propan-2-yl]-3-phenyl-3H-1-benzofuran-2-one);7-methyl-5-[2-(2-oxo-3-phenyl-3H-1-benzofuran-5-yl)propan-2-yl]-3-phenyl-3H-1-benzofuran-2-one;5-(2-oxo-3-phenyl-3H-1-benzofuran-5-carbonyl)-3-phenyl-3H-1-benzofuran-2-one;5-[1-(2-oxo-3-phenyl-3H-1-benzofuran-5-yl)cyclohexyl]-3-phenyl-3H-1-benzofuran-2-one;5-[1-(2-oxo-3-phenyl-3H-1-benzofuran-5-yl)ethyl]-3-phenyl-3H-1-benzofuran-2-one;5-[(2-oxo-3-phenyl-3H-1-benzofuran-5-yl)methyl]-3-phenyl-3H-1-benzofuran-2-one;5-[1-(2-oxo-3-phenyl-3H-1-benzofuran-5-yl)-1-phenylethyl]-3-phenyl-3H-1-benzofuran-2-one;9,12,14,20-tetramethyl-5,16-diphenyl-7,18-dioxapentacyclo[11.7.0.03,11.04,8.015,19]icosa-1(20),3(11),4(8),9,13,15(19)-hexaene-6,17-dione with MolForge

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Launch Full Analysis

Related Compounds

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CID 58773760
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CID 58982792
5-[2-(1,3-Dioxo-2-benzofuran-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-benzofuran-1,3-dione;5-[(1,3-dioxo-2-benzofuran-5-yl)oxy]-2-benzofuran-1,3-dione
CID 88524927
[4-[4-[4-[4-[1,1,1,3,3,3-Hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]-2,3,5,6-tetrakis(trifluoromethyl)benzoyl]phenoxy]phenyl]-[4-methyl-2,3,5,6-tetrakis(trifluoromethyl)phenyl]methanone
CID 89308242
5-[1,1,1,3,3,3-hexafluoro-2-(7-methyl-2-oxo-3-phenyl-3H-1-benzofuran-5-yl)propan-2-yl]-4,7-dimethyl-3-phenyl-3H-1-benzofuran-2-one;7-methyl-5-[2-(7-methyl-2-oxo-3-phenyl-3H-1-benzofuran-5-yl)propan-2-yl]-3-phenyl-3H-1-benzofuran-2-one;5-[(2-oxo-3-phenyl-3H-1-benzofuran-5-yl)methyl]-3-phenyl-3H-1-benzofuran-2-one
CID 90847500
[1-[2-[4-[4-(4-Butylphenyl)-2,3-difluorophenyl]benzoyl]oxy-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-yl] 4-[4-(4-butylphenyl)-2,3-difluorophenyl]benzoate
CID 118444989

Frequently Asked Questions

What is the IUPAC name of 5-[1,1,1,3,3,3-hexafluoro-2-(7-methyl-2-oxo-3-phenyl-3H-1-benzofuran-5-yl)propan-2-yl]-4,7-dimethyl-3-phenyl-3H-1-benzofuran-2-one;bis(7-methyl-5-[2-(7-methyl-2-oxo-3-phenyl-3H-1-benzofuran-5-yl)propan-2-yl]-3-phenyl-3H-1-benzofuran-2-one);7-methyl-5-[2-(2-oxo-3-phenyl-3H-1-benzofuran-5-yl)propan-2-yl]-3-phenyl-3H-1-benzofuran-2-one;5-(2-oxo-3-phenyl-3H-1-benzofuran-5-carbonyl)-3-phenyl-3H-1-benzofuran-2-one;5-[1-(2-oxo-3-phenyl-3H-1-benzofuran-5-yl)cyclohexyl]-3-phenyl-3H-1-benzofuran-2-one;5-[1-(2-oxo-3-phenyl-3H-1-benzofuran-5-yl)ethyl]-3-phenyl-3H-1-benzofuran-2-one;5-[(2-oxo-3-phenyl-3H-1-benzofuran-5-yl)methyl]-3-phenyl-3H-1-benzofuran-2-one;5-[1-(2-oxo-3-phenyl-3H-1-benzofuran-5-yl)-1-phenylethyl]-3-phenyl-3H-1-benzofuran-2-one;9,12,14,20-tetramethyl-5,16-diphenyl-7,18-dioxapentacyclo[11.7.0.03,11.04,8.015,19]icosa-1(20),3(11),4(8),9,13,15(19)-hexaene-6,17-dione?
The IUPAC name of 5-[1,1,1,3,3,3-hexafluoro-2-(7-methyl-2-oxo-3-phenyl-3H-1-benzofuran-5-yl)propan-2-yl]-4,7-dimethyl-3-phenyl-3H-1-benzofuran-2-one;bis(7-methyl-5-[2-(7-methyl-2-oxo-3-phenyl-3H-1-benzofuran-5-yl)propan-2-yl]-3-phenyl-3H-1-benzofuran-2-one);7-methyl-5-[2-(2-oxo-3-phenyl-3H-1-benzofuran-5-yl)propan-2-yl]-3-phenyl-3H-1-benzofuran-2-one;5-(2-oxo-3-phenyl-3H-1-benzofuran-5-carbonyl)-3-phenyl-3H-1-benzofuran-2-one;5-[1-(2-oxo-3-phenyl-3H-1-benzofuran-5-yl)cyclohexyl]-3-phenyl-3H-1-benzofuran-2-one;5-[1-(2-oxo-3-phenyl-3H-1-benzofuran-5-yl)ethyl]-3-phenyl-3H-1-benzofuran-2-one;5-[(2-oxo-3-phenyl-3H-1-benzofuran-5-yl)methyl]-3-phenyl-3H-1-benzofuran-2-one;5-[1-(2-oxo-3-phenyl-3H-1-benzofuran-5-yl)-1-phenylethyl]-3-phenyl-3H-1-benzofuran-2-one;9,12,14,20-tetramethyl-5,16-diphenyl-7,18-dioxapentacyclo[11.7.0.03,11.04,8.015,19]icosa-1(20),3(11),4(8),9,13,15(19)-hexaene-6,17-dione (CID 157490197) is 5-[1,1,1,3,3,3-hexafluoro-2-(7-methyl-2-oxo-3-phenyl-3H-1-benzofuran-5-yl)propan-2-yl]-4,7-dimethyl-3-phenyl-3H-1-benzofuran-2-one;bis(7-methyl-5-[2-(7-methyl-2-oxo-3-phenyl-3H-1-benzofuran-5-yl)propan-2-yl]-3-phenyl-3H-1-benzofuran-2-one);7-methyl-5-[2-(2-oxo-3-phenyl-3H-1-benzofuran-5-yl)propan-2-yl]-3-phenyl-3H-1-benzofuran-2-one;5-(2-oxo-3-phenyl-3H-1-benzofuran-5-carbonyl)-3-phenyl-3H-1-benzofuran-2-one;5-[1-(2-oxo-3-phenyl-3H-1-benzofuran-5-yl)cyclohexyl]-3-phenyl-3H-1-benzofuran-2-one;5-[1-(2-oxo-3-phenyl-3H-1-benzofuran-5-yl)ethyl]-3-phenyl-3H-1-benzofuran-2-one;5-[(2-oxo-3-phenyl-3H-1-benzofuran-5-yl)methyl]-3-phenyl-3H-1-benzofuran-2-one;5-[1-(2-oxo-3-phenyl-3H-1-benzofuran-5-yl)-1-phenylethyl]-3-phenyl-3H-1-benzofuran-2-one;9,12,14,20-tetramethyl-5,16-diphenyl-7,18-dioxapentacyclo[11.7.0.03,11.04,8.015,19]icosa-1(20),3(11),4(8),9,13,15(19)-hexaene-6,17-dione.
What is the SMILES notation for 5-[1,1,1,3,3,3-hexafluoro-2-(7-methyl-2-oxo-3-phenyl-3H-1-benzofuran-5-yl)propan-2-yl]-4,7-dimethyl-3-phenyl-3H-1-benzofuran-2-one;bis(7-methyl-5-[2-(7-methyl-2-oxo-3-phenyl-3H-1-benzofuran-5-yl)propan-2-yl]-3-phenyl-3H-1-benzofuran-2-one);7-methyl-5-[2-(2-oxo-3-phenyl-3H-1-benzofuran-5-yl)propan-2-yl]-3-phenyl-3H-1-benzofuran-2-one;5-(2-oxo-3-phenyl-3H-1-benzofuran-5-carbonyl)-3-phenyl-3H-1-benzofuran-2-one;5-[1-(2-oxo-3-phenyl-3H-1-benzofuran-5-yl)cyclohexyl]-3-phenyl-3H-1-benzofuran-2-one;5-[1-(2-oxo-3-phenyl-3H-1-benzofuran-5-yl)ethyl]-3-phenyl-3H-1-benzofuran-2-one;5-[(2-oxo-3-phenyl-3H-1-benzofuran-5-yl)methyl]-3-phenyl-3H-1-benzofuran-2-one;5-[1-(2-oxo-3-phenyl-3H-1-benzofuran-5-yl)-1-phenylethyl]-3-phenyl-3H-1-benzofuran-2-one;9,12,14,20-tetramethyl-5,16-diphenyl-7,18-dioxapentacyclo[11.7.0.03,11.04,8.015,19]icosa-1(20),3(11),4(8),9,13,15(19)-hexaene-6,17-dione?
The canonical SMILES for 5-[1,1,1,3,3,3-hexafluoro-2-(7-methyl-2-oxo-3-phenyl-3H-1-benzofuran-5-yl)propan-2-yl]-4,7-dimethyl-3-phenyl-3H-1-benzofuran-2-one;bis(7-methyl-5-[2-(7-methyl-2-oxo-3-phenyl-3H-1-benzofuran-5-yl)propan-2-yl]-3-phenyl-3H-1-benzofuran-2-one);7-methyl-5-[2-(2-oxo-3-phenyl-3H-1-benzofuran-5-yl)propan-2-yl]-3-phenyl-3H-1-benzofuran-2-one;5-(2-oxo-3-phenyl-3H-1-benzofuran-5-carbonyl)-3-phenyl-3H-1-benzofuran-2-one;5-[1-(2-oxo-3-phenyl-3H-1-benzofuran-5-yl)cyclohexyl]-3-phenyl-3H-1-benzofuran-2-one;5-[1-(2-oxo-3-phenyl-3H-1-benzofuran-5-yl)ethyl]-3-phenyl-3H-1-benzofuran-2-one;5-[(2-oxo-3-phenyl-3H-1-benzofuran-5-yl)methyl]-3-phenyl-3H-1-benzofuran-2-one;5-[1-(2-oxo-3-phenyl-3H-1-benzofuran-5-yl)-1-phenylethyl]-3-phenyl-3H-1-benzofuran-2-one;9,12,14,20-tetramethyl-5,16-diphenyl-7,18-dioxapentacyclo[11.7.0.03,11.04,8.015,19]icosa-1(20),3(11),4(8),9,13,15(19)-hexaene-6,17-dione is CC(c1ccc2c(c1)C(c1ccccc1)C(=O)O2)c1ccc2c(c1)C(c1ccccc1)C(=O)O2.CC(c1ccccc1)(c1ccc2c(c1)C(c1ccccc1)C(=O)O2)c1ccc2c(c1)C(c1ccccc1)C(=O)O2.Cc1cc(C(C)(C)c2cc(C)c3c(c2)C(c2ccccc2)C(=O)O3)cc2c1OC(=O)C2c1ccccc1.Cc1cc(C(C)(C)c2cc(C)c3c(c2)C(c2ccccc2)C(=O)O3)cc2c1OC(=O)C2c1ccccc1.Cc1cc(C(C)(C)c2ccc3c(c2)C(c2ccccc2)C(=O)O3)cc2c1OC(=O)C2c1ccccc1.Cc1cc(C(c2cc(C)c3c(c2C)C(c2ccccc2)C(=O)O3)(C(F)(F)F)C(F)(F)F)cc2c1OC(=O)C2c1ccccc1.Cc1cc2c(c3c1OC(=O)C3c1ccccc1)Cc1c(C)c3c(c(C)c1C2C)C(c1ccccc1)C(=O)O3.O=C(c1ccc2c(c1)C(c1ccccc1)C(=O)O2)c1ccc2c(c1)C(c1ccccc1)C(=O)O2.O=C1Oc2ccc(C3(c4ccc5c(c4)C(c4ccccc4)C(=O)O5)CCCCC3)cc2C1c1ccccc1.O=C1Oc2ccc(Cc3ccc4c(c3)C(c3ccccc3)C(=O)O4)cc2C1c1ccccc1.
What is the InChIKey of 5-[1,1,1,3,3,3-hexafluoro-2-(7-methyl-2-oxo-3-phenyl-3H-1-benzofuran-5-yl)propan-2-yl]-4,7-dimethyl-3-phenyl-3H-1-benzofuran-2-one;bis(7-methyl-5-[2-(7-methyl-2-oxo-3-phenyl-3H-1-benzofuran-5-yl)propan-2-yl]-3-phenyl-3H-1-benzofuran-2-one);7-methyl-5-[2-(2-oxo-3-phenyl-3H-1-benzofuran-5-yl)propan-2-yl]-3-phenyl-3H-1-benzofuran-2-one;5-(2-oxo-3-phenyl-3H-1-benzofuran-5-carbonyl)-3-phenyl-3H-1-benzofuran-2-one;5-[1-(2-oxo-3-phenyl-3H-1-benzofuran-5-yl)cyclohexyl]-3-phenyl-3H-1-benzofuran-2-one;5-[1-(2-oxo-3-phenyl-3H-1-benzofuran-5-yl)ethyl]-3-phenyl-3H-1-benzofuran-2-one;5-[(2-oxo-3-phenyl-3H-1-benzofuran-5-yl)methyl]-3-phenyl-3H-1-benzofuran-2-one;5-[1-(2-oxo-3-phenyl-3H-1-benzofuran-5-yl)-1-phenylethyl]-3-phenyl-3H-1-benzofuran-2-one;9,12,14,20-tetramethyl-5,16-diphenyl-7,18-dioxapentacyclo[11.7.0.03,11.04,8.015,19]icosa-1(20),3(11),4(8),9,13,15(19)-hexaene-6,17-dione?
The InChIKey is BXEHPEDFEVPCEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H26O4.C34H24F6O4.2C34H28O4.2C33H28O4.C32H26O4.C30H22O4.C29H18O5.C29H20O4/c1-36(25-15-9-4-10-16-25,26-17-19-30-28(21-26)32(34(37)39-30)23-11-5-2-6-12-23)27-18-20-31-29(22-27)33(35(38)40-31)24-13-7-3-8-14-24;1-17-14-22(16-23-26(30(41)43-28(17)23)20-10-6-4-7-11-20)32(33(35,36)37,34(38,39)40)24-15-18(2)29-25(19(24)3)27(31(42)44-29)21-12-8-5-9-13-21;1-17-15-23-18(2)26-20(4)27-28(21-11-7-5-8-12-21)33(35)38-32(27)19(3)24(26)16-25(23)30-29(34(36)37-31(17)30)22-13-9-6-10-14-22;35-32-30(22-10-4-1-5-11-22)26-20-24(14-16-28(26)37-32)34(18-8-3-9-19-34)25-15-17-29-27(21-25)31(33(36)38-29)23-12-6-2-7-13-23;2*1-19-15-23(17-25-27(31(34)36-29(19)25)21-11-7-5-8-12-21)33(3,4)24-16-20(2)30-26(18-24)28(32(35)37-30)22-13-9-6-10-14-22;1-19-16-23(18-25-28(31(34)36-29(19)25)21-12-8-5-9-13-21)32(2,3)22-14-15-26-24(17-22)27(30(33)35-26)20-10-6-4-7-11-20;1-18(21-12-14-25-23(16-21)27(29(31)33-25)19-8-4-2-5-9-19)22-13-15-26-24(17-22)28(30(32)34-26)20-10-6-3-7-11-20;30-27(19-11-13-23-21(15-19)25(28(31)33-23)17-7-3-1-4-8-17)20-12-14-24-22(16-20)26(29(32)34-24)18-9-5-2-6-10-18;30-28-26(20-7-3-1-4-8-20)22-16-18(11-13-24(22)32-28)15-19-12-14-25-23(17-19)27(29(31)33-25)21-9-5-2-6-10-21/h2-22,32-33H,1H3;4-16,26-27H,1-3H3;5-15,18,28-29H,16H2,1-4H3;1-2,4-7,10-17,20-21,30-31H,3,8-9,18-19H2;2*5-18,27-28H,1-4H3;4-18,27-28H,1-3H3;2-18,27-28H,1H3;1-16,25-26H;1-14,16-17,26-27H,15H2.
What are the key properties of 5-[1,1,1,3,3,3-hexafluoro-2-(7-methyl-2-oxo-3-phenyl-3H-1-benzofuran-5-yl)propan-2-yl]-4,7-dimethyl-3-phenyl-3H-1-benzofuran-2-one;bis(7-methyl-5-[2-(7-methyl-2-oxo-3-phenyl-3H-1-benzofuran-5-yl)propan-2-yl]-3-phenyl-3H-1-benzofuran-2-one);7-methyl-5-[2-(2-oxo-3-phenyl-3H-1-benzofuran-5-yl)propan-2-yl]-3-phenyl-3H-1-benzofuran-2-one;5-(2-oxo-3-phenyl-3H-1-benzofuran-5-carbonyl)-3-phenyl-3H-1-benzofuran-2-one;5-[1-(2-oxo-3-phenyl-3H-1-benzofuran-5-yl)cyclohexyl]-3-phenyl-3H-1-benzofuran-2-one;5-[1-(2-oxo-3-phenyl-3H-1-benzofuran-5-yl)ethyl]-3-phenyl-3H-1-benzofuran-2-one;5-[(2-oxo-3-phenyl-3H-1-benzofuran-5-yl)methyl]-3-phenyl-3H-1-benzofuran-2-one;5-[1-(2-oxo-3-phenyl-3H-1-benzofuran-5-yl)-1-phenylethyl]-3-phenyl-3H-1-benzofuran-2-one;9,12,14,20-tetramethyl-5,16-diphenyl-7,18-dioxapentacyclo[11.7.0.03,11.04,8.015,19]icosa-1(20),3(11),4(8),9,13,15(19)-hexaene-6,17-dione?
5-[1,1,1,3,3,3-hexafluoro-2-(7-methyl-2-oxo-3-phenyl-3H-1-benzofuran-5-yl)propan-2-yl]-4,7-dimethyl-3-phenyl-3H-1-benzofuran-2-one;bis(7-methyl-5-[2-(7-methyl-2-oxo-3-phenyl-3H-1-benzofuran-5-yl)propan-2-yl]-3-phenyl-3H-1-benzofuran-2-one);7-methyl-5-[2-(2-oxo-3-phenyl-3H-1-benzofuran-5-yl)propan-2-yl]-3-phenyl-3H-1-benzofuran-2-one;5-(2-oxo-3-phenyl-3H-1-benzofuran-5-carbonyl)-3-phenyl-3H-1-benzofuran-2-one;5-[1-(2-oxo-3-phenyl-3H-1-benzofuran-5-yl)cyclohexyl]-3-phenyl-3H-1-benzofuran-2-one;5-[1-(2-oxo-3-phenyl-3H-1-benzofuran-5-yl)ethyl]-3-phenyl-3H-1-benzofuran-2-one;5-[(2-oxo-3-phenyl-3H-1-benzofuran-5-yl)methyl]-3-phenyl-3H-1-benzofuran-2-one;5-[1-(2-oxo-3-phenyl-3H-1-benzofuran-5-yl)-1-phenylethyl]-3-phenyl-3H-1-benzofuran-2-one;9,12,14,20-tetramethyl-5,16-diphenyl-7,18-dioxapentacyclo[11.7.0.03,11.04,8.015,19]icosa-1(20),3(11),4(8),9,13,15(19)-hexaene-6,17-dione has a molecular weight of 4911.49 g/mol, XLogP of 65.30, 39 rotatable bonds, 0 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1,1,1,3,3,3-hexafluoro-2-(7-methyl-2-oxo-3-phenyl-3H-1-benzofuran-5-yl)propan-2-yl]-4,7-dimethyl-3-phenyl-3H-1-benzofuran-2-one;bis(7-methyl-5-[2-(7-methyl-2-oxo-3-phenyl-3H-1-benzofuran-5-yl)propan-2-yl]-3-phenyl-3H-1-benzofuran-2-one);7-methyl-5-[2-(2-oxo-3-phenyl-3H-1-benzofuran-5-yl)propan-2-yl]-3-phenyl-3H-1-benzofuran-2-one;5-(2-oxo-3-phenyl-3H-1-benzofuran-5-carbonyl)-3-phenyl-3H-1-benzofuran-2-one;5-[1-(2-oxo-3-phenyl-3H-1-benzofuran-5-yl)cyclohexyl]-3-phenyl-3H-1-benzofuran-2-one;5-[1-(2-oxo-3-phenyl-3H-1-benzofuran-5-yl)ethyl]-3-phenyl-3H-1-benzofuran-2-one;5-[(2-oxo-3-phenyl-3H-1-benzofuran-5-yl)methyl]-3-phenyl-3H-1-benzofuran-2-one;5-[1-(2-oxo-3-phenyl-3H-1-benzofuran-5-yl)-1-phenylethyl]-3-phenyl-3H-1-benzofuran-2-one;9,12,14,20-tetramethyl-5,16-diphenyl-7,18-dioxapentacyclo[11.7.0.03,11.04,8.015,19]icosa-1(20),3(11),4(8),9,13,15(19)-hexaene-6,17-dione is sourced from PubChem (CID 157490197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).