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;5-[1-(2-oxo-3-phenyl-3H-1-benzofuran-5-yl)cyclohexyl]-3-phenyl-3H-1-benzofuran-2-one;5-[9-(2-oxo-3-phenyl-3H-1-benzofuran-5-yl)fluoren-9-yl]-3-phenyl-3H-1-benzofuran-2-one;5-[1-(2-oxo-3-phenyl-3H-1-benzofuran-5-yl)-1-(2-oxo-3-phenyl-1,3-dihydroinden-5-yl)ethyl]-3-phenyl-3H-1-benzofuran-2-one;5-[(2-oxo-3-phenyl-3H-1-benzofuran-5-yl)oxy]-3-phenyl-3H-1-benzofuran-2-one;5-[2-(2-oxo-3-phenyl-3H-1-benzofuran-5-yl)propan-2-yl]-3-phenyl-3H-1-benzofuran-2-one;5-[2-[4-[2-(2-oxo-3-phenyl-3H-1-benzofuran-5-yl)propan-2-yl]phenyl]propan-2-yl]-3-phenyl-3H-1-benzofuran-2-one

C253H186F6O30 — CID 157352980

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;5-[1-(2-oxo-3-phenyl-3H-1-benzofuran-5-yl)cyclohexyl]-3-phenyl-3H-1-benzofuran-2-one;5-[9-(2-oxo-3-phenyl-3H-1-benzofuran-5-yl)fluoren-9-yl]-3-phenyl-3H-1-benzofuran-2-one;5-[1-(2-oxo-3-phenyl-3H-1-benzofuran-5-yl)-1-(2-oxo-3-phenyl-1,3-dihydroinden-5-yl)ethyl]-3-phenyl-3H-1-benzofuran-2-one;5-[(2-oxo-3-phenyl-3H-1-benzofuran-5-yl)oxy]-3-phenyl-3H-1-benzofuran-2-one;5-[2-(2-oxo-3-phenyl-3H-1-benzofuran-5-yl)propan-2-yl]-3-phenyl-3H-1-benzofuran-2-one;5-[2-[4-[2-(2-oxo-3-phenyl-3H-1-benzofuran-5-yl)propan-2-yl]phenyl]propan-2-yl]-3-phenyl-3H-1-benzofuran-2-one
SMILESCC(C)(c1ccc(C(C)(C)c2ccc3c(c2)C(c2ccccc2)C(=O)O3)cc1)c1ccc2c(c1)C(c1ccccc1)C(=O)O2.CC(C)(c1ccc2c(c1)C(c1ccccc1)C(=O)O2)c1ccc2c(c1)C(c1ccccc1)C(=O)O2.CC(c1ccc2c(c1)C(c1ccccc1)C(=O)C2)(c1ccc2c(c1)C(c1ccccc1)C(=O)O2)c1ccc2c(c1)C(c1ccccc1)C(=O)O2.Cc1cc(C(c2cc(C)c3c(c2C)C(c2ccccc2)C(=O)O3)(C(F)(F)F)C(F)(F)F)cc2c1OC(=O)C2c1ccccc1.O=C1Oc2ccc(C3(c4ccc5c(c4)C(c4ccccc4)C(=O)O5)CCCCC3)cc2C1c1ccccc1.O=C1Oc2ccc(C3(c4ccc5c(c4)C(c4ccccc4)C(=O)O5)c4ccccc4-c4ccccc43)cc2C1c1ccccc1.O=C1Oc2ccc(Oc3ccc4c(c3)C(c3ccccc3)C(=O)O4)cc2C1c1ccccc1
InChIInChI=1S/C45H32O5.C41H26O4.C40H34O4.C34H24F6O4.C34H28O4.C31H24O4.C28H18O5/c1-45(31-18-17-30-23-37(46)40(34(30)24-31)27-11-5-2-6-12-27,32-19-21-38-35(25-32)41(43(47)49-38)28-13-7-3-8-14-28)33-20-22-39-36(26-33)42(44(48)50-39)29-15-9-4-10-16-29;42-39-37(25-11-3-1-4-12-25)31-23-27(19-21-35(31)44-39)41(33-17-9-7-15-29(33)30-16-8-10-18-34(30)41)28-20-22-36-32(24-28)38(40(43)45-36)26-13-5-2-6-14-26;1-39(2,29-19-21-33-31(23-29)35(37(41)43-33)25-11-7-5-8-12-25)27-15-17-28(18-16-27)40(3,4)30-20-22-34-32(24-30)36(38(42)44-34)26-13-9-6-10-14-26;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;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;1-31(2,21-13-15-25-23(17-21)27(29(32)34-25)19-9-5-3-6-10-19)22-14-16-26-24(18-22)28(30(33)35-26)20-11-7-4-8-12-20;29-27-25(17-7-3-1-4-8-17)21-15-19(11-13-23(21)32-27)31-20-12-14-24-22(16-20)26(28(30)33-24)18-9-5-2-6-10-18/h2-22,24-26,40-42H,23H2,1H3;1-24,37-38H;5-24,35-36H,1-4H3;4-16,26-27H,1-3H3;1-2,4-7,10-17,20-21,30-31H,3,8-9,18-19H2;3-18,27-28H,1-2H3;1-16,25-26H
InChIKeyBHTDODJUVQTYHY-UHFFFAOYSA-N
MW3820.23 g/mol
LogP51.85
Rot. Bonds32

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;5-[1-(2-oxo-3-phenyl-3H-1-benzofuran-5-yl)cyclohexyl]-3-phenyl-3H-1-benzofuran-2-one;5-[9-(2-oxo-3-phenyl-3H-1-benzofuran-5-yl)fluoren-9-yl]-3-phenyl-3H-1-benzofuran-2-one;5-[1-(2-oxo-3-phenyl-3H-1-benzofuran-5-yl)-1-(2-oxo-3-phenyl-1,3-dihydroinden-5-yl)ethyl]-3-phenyl-3H-1-benzofuran-2-one;5-[(2-oxo-3-phenyl-3H-1-benzofuran-5-yl)oxy]-3-phenyl-3H-1-benzofuran-2-one;5-[2-(2-oxo-3-phenyl-3H-1-benzofuran-5-yl)propan-2-yl]-3-phenyl-3H-1-benzofuran-2-one;5-[2-[4-[2-(2-oxo-3-phenyl-3H-1-benzofuran-5-yl)propan-2-yl]phenyl]propan-2-yl]-3-phenyl-3H-1-benzofuran-2-one

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;5-[1-(2-oxo-3-phenyl-3H-1-benzofuran-5-yl)cyclohexyl]-3-phenyl-3H-1-benzofuran-2-one;5-[9-(2-oxo-3-phenyl-3H-1-benzofuran-5-yl)fluoren-9-yl]-3-phenyl-3H-1-benzofuran-2-one;5-[1-(2-oxo-3-phenyl-3H-1-benzofuran-5-yl)-1-(2-oxo-3-phenyl-1,3-dihydroinden-5-yl)ethyl]-3-phenyl-3H-1-benzofuran-2-one;5-[(2-oxo-3-phenyl-3H-1-benzofuran-5-yl)oxy]-3-phenyl-3H-1-benzofuran-2-one;5-[2-(2-oxo-3-phenyl-3H-1-benzofuran-5-yl)propan-2-yl]-3-phenyl-3H-1-benzofuran-2-one;5-[2-[4-[2-(2-oxo-3-phenyl-3H-1-benzofuran-5-yl)propan-2-yl]phenyl]propan-2-yl]-3-phenyl-3H-1-benzofuran-2-one (PubChem CID 157352980) has the molecular formula C253H186F6O30 and a molecular weight of 3820.23 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;5-[1-(2-oxo-3-phenyl-3H-1-benzofuran-5-yl)cyclohexyl]-3-phenyl-3H-1-benzofuran-2-one;5-[9-(2-oxo-3-phenyl-3H-1-benzofuran-5-yl)fluoren-9-yl]-3-phenyl-3H-1-benzofuran-2-one;5-[1-(2-oxo-3-phenyl-3H-1-benzofuran-5-yl)-1-(2-oxo-3-phenyl-1,3-dihydroinden-5-yl)ethyl]-3-phenyl-3H-1-benzofuran-2-one;5-[(2-oxo-3-phenyl-3H-1-benzofuran-5-yl)oxy]-3-phenyl-3H-1-benzofuran-2-one;5-[2-(2-oxo-3-phenyl-3H-1-benzofuran-5-yl)propan-2-yl]-3-phenyl-3H-1-benzofuran-2-one;5-[2-[4-[2-(2-oxo-3-phenyl-3H-1-benzofuran-5-yl)propan-2-yl]phenyl]propan-2-yl]-3-phenyl-3H-1-benzofuran-2-one.

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;5-[1-(2-oxo-3-phenyl-3H-1-benzofuran-5-yl)cyclohexyl]-3-phenyl-3H-1-benzofuran-2-one;5-[9-(2-oxo-3-phenyl-3H-1-benzofuran-5-yl)fluoren-9-yl]-3-phenyl-3H-1-benzofuran-2-one;5-[1-(2-oxo-3-phenyl-3H-1-benzofuran-5-yl)-1-(2-oxo-3-phenyl-1,3-dihydroinden-5-yl)ethyl]-3-phenyl-3H-1-benzofuran-2-one;5-[(2-oxo-3-phenyl-3H-1-benzofuran-5-yl)oxy]-3-phenyl-3H-1-benzofuran-2-one;5-[2-(2-oxo-3-phenyl-3H-1-benzofuran-5-yl)propan-2-yl]-3-phenyl-3H-1-benzofuran-2-one;5-[2-[4-[2-(2-oxo-3-phenyl-3H-1-benzofuran-5-yl)propan-2-yl]phenyl]propan-2-yl]-3-phenyl-3H-1-benzofuran-2-one
PubChem CID157352980
Molecular FormulaC253H186F6O30
Molecular Weight3820.23 g/mol
Exact Mass3817.29
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;5-[1-(2-oxo-3-phenyl-3H-1-benzofuran-5-yl)cyclohexyl]-3-phenyl-3H-1-benzofuran-2-one;5-[9-(2-oxo-3-phenyl-3H-1-benzofuran-5-yl)fluoren-9-yl]-3-phenyl-3H-1-benzofuran-2-one;5-[1-(2-oxo-3-phenyl-3H-1-benzofuran-5-yl)-1-(2-oxo-3-phenyl-1,3-dihydroinden-5-yl)ethyl]-3-phenyl-3H-1-benzofuran-2-one;5-[(2-oxo-3-phenyl-3H-1-benzofuran-5-yl)oxy]-3-phenyl-3H-1-benzofuran-2-one;5-[2-(2-oxo-3-phenyl-3H-1-benzofuran-5-yl)propan-2-yl]-3-phenyl-3H-1-benzofuran-2-one;5-[2-[4-[2-(2-oxo-3-phenyl-3H-1-benzofuran-5-yl)propan-2-yl]phenyl]propan-2-yl]-3-phenyl-3H-1-benzofuran-2-one
SMILESCC(C)(c1ccc(C(C)(C)c2ccc3c(c2)C(c2ccccc2)C(=O)O3)cc1)c1ccc2c(c1)C(c1ccccc1)C(=O)O2.CC(C)(c1ccc2c(c1)C(c1ccccc1)C(=O)O2)c1ccc2c(c1)C(c1ccccc1)C(=O)O2.CC(c1ccc2c(c1)C(c1ccccc1)C(=O)C2)(c1ccc2c(c1)C(c1ccccc1)C(=O)O2)c1ccc2c(c1)C(c1ccccc1)C(=O)O2.Cc1cc(C(c2cc(C)c3c(c2C)C(c2ccccc2)C(=O)O3)(C(F)(F)F)C(F)(F)F)cc2c1OC(=O)C2c1ccccc1.O=C1Oc2ccc(C3(c4ccc5c(c4)C(c4ccccc4)C(=O)O5)CCCCC3)cc2C1c1ccccc1.O=C1Oc2ccc(C3(c4ccc5c(c4)C(c4ccccc4)C(=O)O5)c4ccccc4-c4ccccc43)cc2C1c1ccccc1.O=C1Oc2ccc(Oc3ccc4c(c3)C(c3ccccc3)C(=O)O4)cc2C1c1ccccc1
InChIInChI=1S/C45H32O5.C41H26O4.C40H34O4.C34H24F6O4.C34H28O4.C31H24O4.C28H18O5/c1-45(31-18-17-30-23-37(46)40(34(30)24-31)27-11-5-2-6-12-27,32-19-21-38-35(25-32)41(43(47)49-38)28-13-7-3-8-14-28)33-20-22-39-36(26-33)42(44(48)50-39)29-15-9-4-10-16-29;42-39-37(25-11-3-1-4-12-25)31-23-27(19-21-35(31)44-39)41(33-17-9-7-15-29(33)30-16-8-10-18-34(30)41)28-20-22-36-32(24-28)38(40(43)45-36)26-13-5-2-6-14-26;1-39(2,29-19-21-33-31(23-29)35(37(41)43-33)25-11-7-5-8-12-25)27-15-17-28(18-16-27)40(3,4)30-20-22-34-32(24-30)36(38(42)44-34)26-13-9-6-10-14-26;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;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;1-31(2,21-13-15-25-23(17-21)27(29(32)34-25)19-9-5-3-6-10-19)22-14-16-26-24(18-22)28(30(33)35-26)20-11-7-4-8-12-20;29-27-25(17-7-3-1-4-8-17)21-15-19(11-13-23(21)32-27)31-20-12-14-24-22(16-20)26(28(30)33-24)18-9-5-2-6-10-18/h2-22,24-26,40-42H,23H2,1H3;1-24,37-38H;5-24,35-36H,1-4H3;4-16,26-27H,1-3H3;1-2,4-7,10-17,20-21,30-31H,3,8-9,18-19H2;3-18,27-28H,1-2H3;1-16,25-26H
InChIKeyBHTDODJUVQTYHY-UHFFFAOYSA-N
XLogP51.85
TPSA394.50 Ų
H-Bond Donors
H-Bond Acceptors30
Rotatable Bonds32
Heavy Atoms289
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003820.23
LogP ≤ 551.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1030

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;5-[1-(2-oxo-3-phenyl-3H-1-benzofuran-5-yl)cyclohexyl]-3-phenyl-3H-1-benzofuran-2-one;5-[9-(2-oxo-3-phenyl-3H-1-benzofuran-5-yl)fluoren-9-yl]-3-phenyl-3H-1-benzofuran-2-one;5-[1-(2-oxo-3-phenyl-3H-1-benzofuran-5-yl)-1-(2-oxo-3-phenyl-1,3-dihydroinden-5-yl)ethyl]-3-phenyl-3H-1-benzofuran-2-one;5-[(2-oxo-3-phenyl-3H-1-benzofuran-5-yl)oxy]-3-phenyl-3H-1-benzofuran-2-one;5-[2-(2-oxo-3-phenyl-3H-1-benzofuran-5-yl)propan-2-yl]-3-phenyl-3H-1-benzofuran-2-one;5-[2-[4-[2-(2-oxo-3-phenyl-3H-1-benzofuran-5-yl)propan-2-yl]phenyl]propan-2-yl]-3-phenyl-3H-1-benzofuran-2-one with MolForge

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Launch Full Analysis

Related Compounds

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CID 59601902
[4-[9-methyl-7-(6-prop-2-enoyloxyhexoxy)-9H-fluorene-2-carbonyl]oxy-2,3-bis(trifluoromethyl)phenyl] 9-methyl-7-(6-propanoyloxyhexoxy)-9H-fluorene-2-carboxylate
CID 59768963
methyl 2-[(3S)-6-[2-[(1R)-4-[4-(oxan-4-ylmethoxy)phenyl]-5-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]ethyl]-2,3-dihydro-1-benzofuran-3-yl]acetate
CID 89835830
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
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5-[1,1,1,3,3,3-Hexafluoro-2-(1-methylidene-3-oxo-5,6-dihydroinden-5-yl)propan-2-yl]-2-benzofuran-1,3-dione;methane;4-[3-(1-methylidene-3-oxoinden-4-yl)oxy-2,5-bis[3-methyl-5-(trifluoromethyl)phenyl]phenoxy]-2-benzofuran-1,3-dione;4-[3-(1-methylidene-3-oxoinden-4-yl)oxy-2,5-bis(trifluoromethyl)phenoxy]-2-benzofuran-1,3-dione;4-[3-(1-methylidene-3-oxoinden-4-yl)oxy-2-[3-methyl-5-(trifluoromethyl)phenyl]phenoxy]-2-benzofuran-1,3-dione
CID 157093895
[3-methyl-4-[5-[(E)-2-(4-prop-2-enoyloxyphenyl)ethenyl]furan-2-yl]phenyl] 2-methylprop-2-enoate;[4-[(E)-2-[5-(2-methyl-4-prop-2-enoyloxyphenyl)furan-2-yl]ethenyl]phenyl] prop-2-enoate;[4-[(E)-2-[5-(4-prop-2-enoyloxyphenyl)furan-2-yl]ethenyl]-3-(trifluoromethyl)phenyl] 2-methylprop-2-enoate;[4-[5-[(E)-2-[4-prop-2-enoyloxy-3-(trifluoromethyl)phenyl]ethenyl]furan-2-yl]phenyl] 2-methylprop-2-enoate;[4-[5-[(E)-2-[4-prop-2-enoyloxy-2-(trifluoromethyl)phenyl]ethenyl]furan-2-yl]phenyl] prop-2-enoate;[4-[5-[(E)-2-[4-prop-2-enoyloxy-3-(trifluoromethyl)phenyl]ethenyl]furan-2-yl]phenyl] prop-2-enoate;[4-[(E)-2-[5-[4-prop-2-enoyloxy-3-(trifluoromethyl)phenyl]furan-2-yl]ethenyl]phenyl] 2-methylprop-2-enoate;[4-[(E)-2-[5-[4-prop-2-enoyloxy-3-(trifluoromethyl)phenyl]furan-2-yl]ethenyl]phenyl] prop-2-enoate
CID 157164437
5-(1,3-dioxo-2-benzofuran-5-carbonyl)-2-benzofuran-1,3-dione;5-[4-[[4-[(1,3-dioxo-2-benzofuran-5-yl)oxy]phenyl]-difluoromethyl]phenoxy]-2-benzofuran-1,3-dione;5-[4-[2-[4-[(1,3-dioxo-2-benzofuran-5-yl)oxy]phenyl]propan-2-yl]phenoxy]-2-benzofuran-1,3-dione;3-[(2Z,6E,12E,15E,17E)-15-[2-(2,5-dioxooxolan-3-yl)ethylidene]-9-ethenyl-3-propylicosa-2,6,12,17-tetraenyl]oxolane-2,5-dione;3-[(2E,4E)-6-(2,5-dioxooxolan-3-yl)hexa-2,4-dienyl]furan-2,5-dione;6-(2,5-dioxooxolan-3-yl)-7-methyl-3a,4,5,7a-tetrahydro-2-benzofuran-1,3-dione;furo[3,4-f][2]benzofuran-1,3,5,7-tetrone
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4,10-Dioxatetracyclo[5.5.2.02,6.08,12]tetradec-13-ene-3,5,9,11-tetrone;4,10-dioxatricyclo[6.3.0.02,6]undecane-3,5,9,11-tetrone;5-(1,3-dioxo-2-benzofuran-5-carbonyl)-2-benzofuran-1,3-dione;5-(1,3-dioxo-2-benzofuran-5-yl)-2-benzofuran-1,3-dione;5-[(1,3-dioxo-2-benzofuran-5-yl)oxy]-2-benzofuran-1,3-dione;5-[2-(1,3-dioxoinden-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-benzofuran-1,3-dione;furo[3,4-f][2]benzofuran-1,3,5,7-tetrone;methane
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5-(1,3-dioxo-2-benzofuran-5-carbonyl)-2-benzofuran-1,3-dione;5-[(1,3-dioxo-2-benzofuran-5-yl)-difluoromethyl]-2-benzofuran-1,3-dione;5-[4-[[4-[(1,3-dioxo-2-benzofuran-5-yl)oxy]phenyl]-difluoromethyl]phenoxy]-2-benzofuran-1,3-dione;5-[4-[2-[4-[(1,3-dioxo-2-benzofuran-5-yl)oxy]phenyl]propan-2-yl]phenoxy]-2-benzofuran-1,3-dione;3-[(2E,4E)-6-(2,4-dioxocyclopentyl)hexa-2,4-dienyl]oxolane-2,5-dione;5-(2,5-dioxooxolan-3-yl)-4-methyl-2-benzofuran-1,3-dione;molecular fluorine
CID 157486129
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
5-[2-(1,3-Dioxo-3a,4,5,6,7,7a-hexahydro-2-benzofuran-5-yl)ethyl]-3a,4,5,6,7,7a-hexahydro-2-benzofuran-1,3-dione;5-[2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydro-2-benzofuran-5-yl)ethyl]-2-benzofuran-1,3-dione;5-[(1,3-dioxo-3a,4,5,6,7,7a-hexahydro-2-benzofuran-5-yl)oxy]-3a,4,5,6,7,7a-hexahydro-2-benzofuran-1,3-dione;5-[(1,3-dioxo-3a,4,5,6,7,7a-hexahydro-2-benzofuran-5-yl)oxy]-2-benzofuran-1,3-dione;5-[2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydro-2-benzofuran-5-yl)-1,1,1-trifluoropropan-2-yl]-3a,4,5,6,7,7a-hexahydro-2-benzofuran-1,3-dione;5-[2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydro-2-benzofuran-5-yl)-1,1,1-trifluoropropan-2-yl]-2-benzofuran-1,3-dione;bis(5-[(1,3-dioxo-2-benzofuran-5-yl)methyl]-2-benzofuran-1,3-dione);5-[2-(1,3-dioxo-2-benzofuran-5-yl)propan-2-yl]-2-benzofuran-1,3-dione;5-[2-(1,3-dioxo-2-benzofuran-5-yl)-1,1,1-trifluoropropan-2-yl]-2-benzofuran-1,3-dione
CID 157520806

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;5-[1-(2-oxo-3-phenyl-3H-1-benzofuran-5-yl)cyclohexyl]-3-phenyl-3H-1-benzofuran-2-one;5-[9-(2-oxo-3-phenyl-3H-1-benzofuran-5-yl)fluoren-9-yl]-3-phenyl-3H-1-benzofuran-2-one;5-[1-(2-oxo-3-phenyl-3H-1-benzofuran-5-yl)-1-(2-oxo-3-phenyl-1,3-dihydroinden-5-yl)ethyl]-3-phenyl-3H-1-benzofuran-2-one;5-[(2-oxo-3-phenyl-3H-1-benzofuran-5-yl)oxy]-3-phenyl-3H-1-benzofuran-2-one;5-[2-(2-oxo-3-phenyl-3H-1-benzofuran-5-yl)propan-2-yl]-3-phenyl-3H-1-benzofuran-2-one;5-[2-[4-[2-(2-oxo-3-phenyl-3H-1-benzofuran-5-yl)propan-2-yl]phenyl]propan-2-yl]-3-phenyl-3H-1-benzofuran-2-one?
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;5-[1-(2-oxo-3-phenyl-3H-1-benzofuran-5-yl)cyclohexyl]-3-phenyl-3H-1-benzofuran-2-one;5-[9-(2-oxo-3-phenyl-3H-1-benzofuran-5-yl)fluoren-9-yl]-3-phenyl-3H-1-benzofuran-2-one;5-[1-(2-oxo-3-phenyl-3H-1-benzofuran-5-yl)-1-(2-oxo-3-phenyl-1,3-dihydroinden-5-yl)ethyl]-3-phenyl-3H-1-benzofuran-2-one;5-[(2-oxo-3-phenyl-3H-1-benzofuran-5-yl)oxy]-3-phenyl-3H-1-benzofuran-2-one;5-[2-(2-oxo-3-phenyl-3H-1-benzofuran-5-yl)propan-2-yl]-3-phenyl-3H-1-benzofuran-2-one;5-[2-[4-[2-(2-oxo-3-phenyl-3H-1-benzofuran-5-yl)propan-2-yl]phenyl]propan-2-yl]-3-phenyl-3H-1-benzofuran-2-one (CID 157352980) 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;5-[1-(2-oxo-3-phenyl-3H-1-benzofuran-5-yl)cyclohexyl]-3-phenyl-3H-1-benzofuran-2-one;5-[9-(2-oxo-3-phenyl-3H-1-benzofuran-5-yl)fluoren-9-yl]-3-phenyl-3H-1-benzofuran-2-one;5-[1-(2-oxo-3-phenyl-3H-1-benzofuran-5-yl)-1-(2-oxo-3-phenyl-1,3-dihydroinden-5-yl)ethyl]-3-phenyl-3H-1-benzofuran-2-one;5-[(2-oxo-3-phenyl-3H-1-benzofuran-5-yl)oxy]-3-phenyl-3H-1-benzofuran-2-one;5-[2-(2-oxo-3-phenyl-3H-1-benzofuran-5-yl)propan-2-yl]-3-phenyl-3H-1-benzofuran-2-one;5-[2-[4-[2-(2-oxo-3-phenyl-3H-1-benzofuran-5-yl)propan-2-yl]phenyl]propan-2-yl]-3-phenyl-3H-1-benzofuran-2-one.
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;5-[1-(2-oxo-3-phenyl-3H-1-benzofuran-5-yl)cyclohexyl]-3-phenyl-3H-1-benzofuran-2-one;5-[9-(2-oxo-3-phenyl-3H-1-benzofuran-5-yl)fluoren-9-yl]-3-phenyl-3H-1-benzofuran-2-one;5-[1-(2-oxo-3-phenyl-3H-1-benzofuran-5-yl)-1-(2-oxo-3-phenyl-1,3-dihydroinden-5-yl)ethyl]-3-phenyl-3H-1-benzofuran-2-one;5-[(2-oxo-3-phenyl-3H-1-benzofuran-5-yl)oxy]-3-phenyl-3H-1-benzofuran-2-one;5-[2-(2-oxo-3-phenyl-3H-1-benzofuran-5-yl)propan-2-yl]-3-phenyl-3H-1-benzofuran-2-one;5-[2-[4-[2-(2-oxo-3-phenyl-3H-1-benzofuran-5-yl)propan-2-yl]phenyl]propan-2-yl]-3-phenyl-3H-1-benzofuran-2-one?
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;5-[1-(2-oxo-3-phenyl-3H-1-benzofuran-5-yl)cyclohexyl]-3-phenyl-3H-1-benzofuran-2-one;5-[9-(2-oxo-3-phenyl-3H-1-benzofuran-5-yl)fluoren-9-yl]-3-phenyl-3H-1-benzofuran-2-one;5-[1-(2-oxo-3-phenyl-3H-1-benzofuran-5-yl)-1-(2-oxo-3-phenyl-1,3-dihydroinden-5-yl)ethyl]-3-phenyl-3H-1-benzofuran-2-one;5-[(2-oxo-3-phenyl-3H-1-benzofuran-5-yl)oxy]-3-phenyl-3H-1-benzofuran-2-one;5-[2-(2-oxo-3-phenyl-3H-1-benzofuran-5-yl)propan-2-yl]-3-phenyl-3H-1-benzofuran-2-one;5-[2-[4-[2-(2-oxo-3-phenyl-3H-1-benzofuran-5-yl)propan-2-yl]phenyl]propan-2-yl]-3-phenyl-3H-1-benzofuran-2-one is CC(C)(c1ccc(C(C)(C)c2ccc3c(c2)C(c2ccccc2)C(=O)O3)cc1)c1ccc2c(c1)C(c1ccccc1)C(=O)O2.CC(C)(c1ccc2c(c1)C(c1ccccc1)C(=O)O2)c1ccc2c(c1)C(c1ccccc1)C(=O)O2.CC(c1ccc2c(c1)C(c1ccccc1)C(=O)C2)(c1ccc2c(c1)C(c1ccccc1)C(=O)O2)c1ccc2c(c1)C(c1ccccc1)C(=O)O2.Cc1cc(C(c2cc(C)c3c(c2C)C(c2ccccc2)C(=O)O3)(C(F)(F)F)C(F)(F)F)cc2c1OC(=O)C2c1ccccc1.O=C1Oc2ccc(C3(c4ccc5c(c4)C(c4ccccc4)C(=O)O5)CCCCC3)cc2C1c1ccccc1.O=C1Oc2ccc(C3(c4ccc5c(c4)C(c4ccccc4)C(=O)O5)c4ccccc4-c4ccccc43)cc2C1c1ccccc1.O=C1Oc2ccc(Oc3ccc4c(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;5-[1-(2-oxo-3-phenyl-3H-1-benzofuran-5-yl)cyclohexyl]-3-phenyl-3H-1-benzofuran-2-one;5-[9-(2-oxo-3-phenyl-3H-1-benzofuran-5-yl)fluoren-9-yl]-3-phenyl-3H-1-benzofuran-2-one;5-[1-(2-oxo-3-phenyl-3H-1-benzofuran-5-yl)-1-(2-oxo-3-phenyl-1,3-dihydroinden-5-yl)ethyl]-3-phenyl-3H-1-benzofuran-2-one;5-[(2-oxo-3-phenyl-3H-1-benzofuran-5-yl)oxy]-3-phenyl-3H-1-benzofuran-2-one;5-[2-(2-oxo-3-phenyl-3H-1-benzofuran-5-yl)propan-2-yl]-3-phenyl-3H-1-benzofuran-2-one;5-[2-[4-[2-(2-oxo-3-phenyl-3H-1-benzofuran-5-yl)propan-2-yl]phenyl]propan-2-yl]-3-phenyl-3H-1-benzofuran-2-one?
The InChIKey is BHTDODJUVQTYHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H32O5.C41H26O4.C40H34O4.C34H24F6O4.C34H28O4.C31H24O4.C28H18O5/c1-45(31-18-17-30-23-37(46)40(34(30)24-31)27-11-5-2-6-12-27,32-19-21-38-35(25-32)41(43(47)49-38)28-13-7-3-8-14-28)33-20-22-39-36(26-33)42(44(48)50-39)29-15-9-4-10-16-29;42-39-37(25-11-3-1-4-12-25)31-23-27(19-21-35(31)44-39)41(33-17-9-7-15-29(33)30-16-8-10-18-34(30)41)28-20-22-36-32(24-28)38(40(43)45-36)26-13-5-2-6-14-26;1-39(2,29-19-21-33-31(23-29)35(37(41)43-33)25-11-7-5-8-12-25)27-15-17-28(18-16-27)40(3,4)30-20-22-34-32(24-30)36(38(42)44-34)26-13-9-6-10-14-26;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;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;1-31(2,21-13-15-25-23(17-21)27(29(32)34-25)19-9-5-3-6-10-19)22-14-16-26-24(18-22)28(30(33)35-26)20-11-7-4-8-12-20;29-27-25(17-7-3-1-4-8-17)21-15-19(11-13-23(21)32-27)31-20-12-14-24-22(16-20)26(28(30)33-24)18-9-5-2-6-10-18/h2-22,24-26,40-42H,23H2,1H3;1-24,37-38H;5-24,35-36H,1-4H3;4-16,26-27H,1-3H3;1-2,4-7,10-17,20-21,30-31H,3,8-9,18-19H2;3-18,27-28H,1-2H3;1-16,25-26H.
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;5-[1-(2-oxo-3-phenyl-3H-1-benzofuran-5-yl)cyclohexyl]-3-phenyl-3H-1-benzofuran-2-one;5-[9-(2-oxo-3-phenyl-3H-1-benzofuran-5-yl)fluoren-9-yl]-3-phenyl-3H-1-benzofuran-2-one;5-[1-(2-oxo-3-phenyl-3H-1-benzofuran-5-yl)-1-(2-oxo-3-phenyl-1,3-dihydroinden-5-yl)ethyl]-3-phenyl-3H-1-benzofuran-2-one;5-[(2-oxo-3-phenyl-3H-1-benzofuran-5-yl)oxy]-3-phenyl-3H-1-benzofuran-2-one;5-[2-(2-oxo-3-phenyl-3H-1-benzofuran-5-yl)propan-2-yl]-3-phenyl-3H-1-benzofuran-2-one;5-[2-[4-[2-(2-oxo-3-phenyl-3H-1-benzofuran-5-yl)propan-2-yl]phenyl]propan-2-yl]-3-phenyl-3H-1-benzofuran-2-one?
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;5-[1-(2-oxo-3-phenyl-3H-1-benzofuran-5-yl)cyclohexyl]-3-phenyl-3H-1-benzofuran-2-one;5-[9-(2-oxo-3-phenyl-3H-1-benzofuran-5-yl)fluoren-9-yl]-3-phenyl-3H-1-benzofuran-2-one;5-[1-(2-oxo-3-phenyl-3H-1-benzofuran-5-yl)-1-(2-oxo-3-phenyl-1,3-dihydroinden-5-yl)ethyl]-3-phenyl-3H-1-benzofuran-2-one;5-[(2-oxo-3-phenyl-3H-1-benzofuran-5-yl)oxy]-3-phenyl-3H-1-benzofuran-2-one;5-[2-(2-oxo-3-phenyl-3H-1-benzofuran-5-yl)propan-2-yl]-3-phenyl-3H-1-benzofuran-2-one;5-[2-[4-[2-(2-oxo-3-phenyl-3H-1-benzofuran-5-yl)propan-2-yl]phenyl]propan-2-yl]-3-phenyl-3H-1-benzofuran-2-one has a molecular weight of 3820.23 g/mol, XLogP of 51.85, 32 rotatable bonds, 0 hydrogen bond donors, and 30 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;5-[1-(2-oxo-3-phenyl-3H-1-benzofuran-5-yl)cyclohexyl]-3-phenyl-3H-1-benzofuran-2-one;5-[9-(2-oxo-3-phenyl-3H-1-benzofuran-5-yl)fluoren-9-yl]-3-phenyl-3H-1-benzofuran-2-one;5-[1-(2-oxo-3-phenyl-3H-1-benzofuran-5-yl)-1-(2-oxo-3-phenyl-1,3-dihydroinden-5-yl)ethyl]-3-phenyl-3H-1-benzofuran-2-one;5-[(2-oxo-3-phenyl-3H-1-benzofuran-5-yl)oxy]-3-phenyl-3H-1-benzofuran-2-one;5-[2-(2-oxo-3-phenyl-3H-1-benzofuran-5-yl)propan-2-yl]-3-phenyl-3H-1-benzofuran-2-one;5-[2-[4-[2-(2-oxo-3-phenyl-3H-1-benzofuran-5-yl)propan-2-yl]phenyl]propan-2-yl]-3-phenyl-3H-1-benzofuran-2-one is sourced from PubChem (CID 157352980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).