8-methyl-1-(trifluoromethyl)benzo[b]xanthen-12-one;8-methyl-2-(trifluoromethyl)benzo[b]xanthen-12-one;8-methyl-3-(trifluoromethyl)benzo[b]xanthen-12-one;8-methyl-4-(trifluoromethyl)benzo[b]xanthen-12-one;2,5,7,17,19-pentaoxahexacyclo[11.11.0.03,11.04,8.015,23.016,20]tetracosa-1(13),3(11),4(8),9,14,16(20),21,23-octaen-12-one;2,6,8,18,20-pentaoxahexacyclo[11.11.0.03,11.05,9.015,23.017,21]tetracosa-1(13),3,5(9),10,14,16,21,23-octaen-12-one;5,7,12,19,21-pentaoxahexacyclo[11.11.0.03,11.04,8.015,23.018,22]tetracosa-1(13),3(11),4(8),9,14,16,18(22),23-octaen-2-one;5,7,14,18,20-pentaoxahexacyclo[11.11.0.03,11.04,8.015,23.017,21]tetracosa-1(13),2,4(8),9,11,15,17(21),22-octaen-24-one

C152H84F12O32 — CID 157058506

IUPAC8-methyl-1-(trifluoromethyl)benzo[b]xanthen-12-one;8-methyl-2-(trifluoromethyl)benzo[b]xanthen-12-one;8-methyl-3-(trifluoromethyl)benzo[b]xanthen-12-one;8-methyl-4-(trifluoromethyl)benzo[b]xanthen-12-one;2,5,7,17,19-pentaoxahexacyclo[11.11.0.03,11.04,8.015,23.016,20]tetracosa-1(13),3(11),4(8),9,14,16(20),21,23-octaen-12-one;2,6,8,18,20-pentaoxahexacyclo[11.11.0.03,11.05,9.015,23.017,21]tetracosa-1(13),3,5(9),10,14,16,21,23-octaen-12-one;5,7,12,19,21-pentaoxahexacyclo[11.11.0.03,11.04,8.015,23.018,22]tetracosa-1(13),3(11),4(8),9,14,16,18(22),23-octaen-2-one;5,7,14,18,20-pentaoxahexacyclo[11.11.0.03,11.04,8.015,23.017,21]tetracosa-1(13),2,4(8),9,11,15,17(21),22-octaen-24-one
SMILESCc1ccc2cc3c(=O)c4c(C(F)(F)F)cccc4oc3cc2c1.Cc1ccc2cc3c(=O)c4cc(C(F)(F)F)ccc4oc3cc2c1.Cc1ccc2cc3c(=O)c4ccc(C(F)(F)F)cc4oc3cc2c1.Cc1ccc2cc3c(=O)c4cccc(C(F)(F)F)c4oc3cc2c1.O=c1c2cc3c(cc2oc2cc4cc5c(cc4cc12)OCO5)OCO3.O=c1c2cc3c(cc2oc2cc4ccc5c(c4cc12)OCO5)OCO3.O=c1c2cc3c4c(ccc3cc2oc2c3c(ccc12)OCO3)OCO4.O=c1c2cc3c4c(ccc3cc2oc2ccc3c(c12)OCO3)OCO4
InChIInChI=1S/4C19H11F3O2.4C19H10O6/c1-10-2-3-11-7-14-17(8-12(11)6-10)24-16-5-4-13(19(20,21)22)9-15(16)18(14)23;1-10-2-3-11-7-15-16(8-12(11)6-10)24-17-9-13(19(20,21)22)4-5-14(17)18(15)23;1-10-5-6-11-8-13-16(9-12(11)7-10)24-15-4-2-3-14(19(20,21)22)17(15)18(13)23;1-10-5-6-11-8-14-16(9-12(11)7-10)24-18-13(17(14)23)3-2-4-15(18)19(20,21)22;20-19-11-1-9-3-15-16(22-7-21-15)4-10(9)2-13(11)25-14-6-18-17(5-12(14)19)23-8-24-18;20-16-10-2-4-14-19(24-8-22-14)18(10)25-15-5-9-1-3-13-17(23-7-21-13)11(9)6-12(15)16;20-18-11-4-10-9(1-2-13-19(10)24-8-21-13)3-14(11)25-15-6-17-16(5-12(15)18)22-7-23-17;20-17-11-6-10-9(1-2-13-18(10)23-7-21-13)5-15(11)25-12-3-4-14-19(16(12)17)24-8-22-14/h4*2-9H,1H3;4*1-6H,7-8H2
InChIKeyABAPLMUYFRIAMU-UHFFFAOYSA-N
MW2650.29 g/mol
LogP35.93
Rot. Bonds

About 8-methyl-1-(trifluoromethyl)benzo[b]xanthen-12-one;8-methyl-2-(trifluoromethyl)benzo[b]xanthen-12-one;8-methyl-3-(trifluoromethyl)benzo[b]xanthen-12-one;8-methyl-4-(trifluoromethyl)benzo[b]xanthen-12-one;2,5,7,17,19-pentaoxahexacyclo[11.11.0.03,11.04,8.015,23.016,20]tetracosa-1(13),3(11),4(8),9,14,16(20),21,23-octaen-12-one;2,6,8,18,20-pentaoxahexacyclo[11.11.0.03,11.05,9.015,23.017,21]tetracosa-1(13),3,5(9),10,14,16,21,23-octaen-12-one;5,7,12,19,21-pentaoxahexacyclo[11.11.0.03,11.04,8.015,23.018,22]tetracosa-1(13),3(11),4(8),9,14,16,18(22),23-octaen-2-one;5,7,14,18,20-pentaoxahexacyclo[11.11.0.03,11.04,8.015,23.017,21]tetracosa-1(13),2,4(8),9,11,15,17(21),22-octaen-24-one

8-methyl-1-(trifluoromethyl)benzo[b]xanthen-12-one;8-methyl-2-(trifluoromethyl)benzo[b]xanthen-12-one;8-methyl-3-(trifluoromethyl)benzo[b]xanthen-12-one;8-methyl-4-(trifluoromethyl)benzo[b]xanthen-12-one;2,5,7,17,19-pentaoxahexacyclo[11.11.0.03,11.04,8.015,23.016,20]tetracosa-1(13),3(11),4(8),9,14,16(20),21,23-octaen-12-one;2,6,8,18,20-pentaoxahexacyclo[11.11.0.03,11.05,9.015,23.017,21]tetracosa-1(13),3,5(9),10,14,16,21,23-octaen-12-one;5,7,12,19,21-pentaoxahexacyclo[11.11.0.03,11.04,8.015,23.018,22]tetracosa-1(13),3(11),4(8),9,14,16,18(22),23-octaen-2-one;5,7,14,18,20-pentaoxahexacyclo[11.11.0.03,11.04,8.015,23.017,21]tetracosa-1(13),2,4(8),9,11,15,17(21),22-octaen-24-one (PubChem CID 157058506) has the molecular formula C152H84F12O32 and a molecular weight of 2650.29 g/mol. Its IUPAC name is 8-methyl-1-(trifluoromethyl)benzo[b]xanthen-12-one;8-methyl-2-(trifluoromethyl)benzo[b]xanthen-12-one;8-methyl-3-(trifluoromethyl)benzo[b]xanthen-12-one;8-methyl-4-(trifluoromethyl)benzo[b]xanthen-12-one;2,5,7,17,19-pentaoxahexacyclo[11.11.0.03,11.04,8.015,23.016,20]tetracosa-1(13),3(11),4(8),9,14,16(20),21,23-octaen-12-one;2,6,8,18,20-pentaoxahexacyclo[11.11.0.03,11.05,9.015,23.017,21]tetracosa-1(13),3,5(9),10,14,16,21,23-octaen-12-one;5,7,12,19,21-pentaoxahexacyclo[11.11.0.03,11.04,8.015,23.018,22]tetracosa-1(13),3(11),4(8),9,14,16,18(22),23-octaen-2-one;5,7,14,18,20-pentaoxahexacyclo[11.11.0.03,11.04,8.015,23.017,21]tetracosa-1(13),2,4(8),9,11,15,17(21),22-octaen-24-one.

Molecular Properties

Compound Name8-methyl-1-(trifluoromethyl)benzo[b]xanthen-12-one;8-methyl-2-(trifluoromethyl)benzo[b]xanthen-12-one;8-methyl-3-(trifluoromethyl)benzo[b]xanthen-12-one;8-methyl-4-(trifluoromethyl)benzo[b]xanthen-12-one;2,5,7,17,19-pentaoxahexacyclo[11.11.0.03,11.04,8.015,23.016,20]tetracosa-1(13),3(11),4(8),9,14,16(20),21,23-octaen-12-one;2,6,8,18,20-pentaoxahexacyclo[11.11.0.03,11.05,9.015,23.017,21]tetracosa-1(13),3,5(9),10,14,16,21,23-octaen-12-one;5,7,12,19,21-pentaoxahexacyclo[11.11.0.03,11.04,8.015,23.018,22]tetracosa-1(13),3(11),4(8),9,14,16,18(22),23-octaen-2-one;5,7,14,18,20-pentaoxahexacyclo[11.11.0.03,11.04,8.015,23.017,21]tetracosa-1(13),2,4(8),9,11,15,17(21),22-octaen-24-one
PubChem CID157058506
Molecular FormulaC152H84F12O32
Molecular Weight2650.29 g/mol
Exact Mass2648.48
IUPAC Name8-methyl-1-(trifluoromethyl)benzo[b]xanthen-12-one;8-methyl-2-(trifluoromethyl)benzo[b]xanthen-12-one;8-methyl-3-(trifluoromethyl)benzo[b]xanthen-12-one;8-methyl-4-(trifluoromethyl)benzo[b]xanthen-12-one;2,5,7,17,19-pentaoxahexacyclo[11.11.0.03,11.04,8.015,23.016,20]tetracosa-1(13),3(11),4(8),9,14,16(20),21,23-octaen-12-one;2,6,8,18,20-pentaoxahexacyclo[11.11.0.03,11.05,9.015,23.017,21]tetracosa-1(13),3,5(9),10,14,16,21,23-octaen-12-one;5,7,12,19,21-pentaoxahexacyclo[11.11.0.03,11.04,8.015,23.018,22]tetracosa-1(13),3(11),4(8),9,14,16,18(22),23-octaen-2-one;5,7,14,18,20-pentaoxahexacyclo[11.11.0.03,11.04,8.015,23.017,21]tetracosa-1(13),2,4(8),9,11,15,17(21),22-octaen-24-one
SMILESCc1ccc2cc3c(=O)c4c(C(F)(F)F)cccc4oc3cc2c1.Cc1ccc2cc3c(=O)c4cc(C(F)(F)F)ccc4oc3cc2c1.Cc1ccc2cc3c(=O)c4ccc(C(F)(F)F)cc4oc3cc2c1.Cc1ccc2cc3c(=O)c4cccc(C(F)(F)F)c4oc3cc2c1.O=c1c2cc3c(cc2oc2cc4cc5c(cc4cc12)OCO5)OCO3.O=c1c2cc3c(cc2oc2cc4ccc5c(c4cc12)OCO5)OCO3.O=c1c2cc3c4c(ccc3cc2oc2c3c(ccc12)OCO3)OCO4.O=c1c2cc3c4c(ccc3cc2oc2ccc3c(c12)OCO3)OCO4
InChIInChI=1S/4C19H11F3O2.4C19H10O6/c1-10-2-3-11-7-14-17(8-12(11)6-10)24-16-5-4-13(19(20,21)22)9-15(16)18(14)23;1-10-2-3-11-7-15-16(8-12(11)6-10)24-17-9-13(19(20,21)22)4-5-14(17)18(15)23;1-10-5-6-11-8-13-16(9-12(11)7-10)24-15-4-2-3-14(19(20,21)22)17(15)18(13)23;1-10-5-6-11-8-14-16(9-12(11)7-10)24-18-13(17(14)23)3-2-4-15(18)19(20,21)22;20-19-11-1-9-3-15-16(22-7-21-15)4-10(9)2-13(11)25-14-6-18-17(5-12(14)19)23-8-24-18;20-16-10-2-4-14-19(24-8-22-14)18(10)25-15-5-9-1-3-13-17(23-7-21-13)11(9)6-12(15)16;20-18-11-4-10-9(1-2-13-19(10)24-8-21-13)3-14(11)25-15-6-17-16(5-12(15)18)22-7-23-17;20-17-11-6-10-9(1-2-13-18(10)23-7-21-13)5-15(11)25-12-3-4-14-19(16(12)17)24-8-22-14/h4*2-9H,1H3;4*1-6H,7-8H2
InChIKeyABAPLMUYFRIAMU-UHFFFAOYSA-N
XLogP35.93
TPSA389.36 Ų
H-Bond Donors
H-Bond Acceptors32
Rotatable Bonds
Heavy Atoms196
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002650.29
LogP ≤ 535.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1032

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 8-methyl-1-(trifluoromethyl)benzo[b]xanthen-12-one;8-methyl-2-(trifluoromethyl)benzo[b]xanthen-12-one;8-methyl-3-(trifluoromethyl)benzo[b]xanthen-12-one;8-methyl-4-(trifluoromethyl)benzo[b]xanthen-12-one;2,5,7,17,19-pentaoxahexacyclo[11.11.0.03,11.04,8.015,23.016,20]tetracosa-1(13),3(11),4(8),9,14,16(20),21,23-octaen-12-one;2,6,8,18,20-pentaoxahexacyclo[11.11.0.03,11.05,9.015,23.017,21]tetracosa-1(13),3,5(9),10,14,16,21,23-octaen-12-one;5,7,12,19,21-pentaoxahexacyclo[11.11.0.03,11.04,8.015,23.018,22]tetracosa-1(13),3(11),4(8),9,14,16,18(22),23-octaen-2-one;5,7,14,18,20-pentaoxahexacyclo[11.11.0.03,11.04,8.015,23.017,21]tetracosa-1(13),2,4(8),9,11,15,17(21),22-octaen-24-one with MolForge

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Related Compounds

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CID 164609731
[(5S,5aR,8aR,9R)-8-oxo-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl] 5-[3-(4-methoxyphenyl)-4-oxochromen-7-yl]oxypentanoate
CID 164623308
7,8-dideoxy-6-oxo-griseorhodin C pentaacetate
CID 9987266
6-[(2S,3R,4S,5R,6R)-3-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-5-hydroxy-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxy-10-[6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-1,3-benzodioxol-5-yl]-7H-[2]benzofuro[5,6-g][1,3]benzodioxol-9-one
CID 44206014
(4',8',9',10-Tetraacetyloxy-7'-methoxy-7-methyl-3',9-dioxospiro[3,4-dihydropyrano[4,3-g]chromene-2,2'-benzo[][1]benzouran]-5'-yl) acetate
CID 169491825
[4-[4-[[7-[4-[4-[2,2-Difluoro-7-(2-prop-2-enoyloxyethoxy)-1,3-benzodioxole-4-carbonyl]oxyphenyl]benzoyl]oxy-2,2-difluoro-1,3-benzodioxol-4-yl]oxycarbonyl]phenyl]phenyl] 2,2-difluoro-7-(2-prop-2-enoyloxyethoxy)-1,3-benzodioxole-4-carboxylate
CID 58776300
7-O-[2,2-difluoro-7-[2-oxo-2-[4-(4-prop-2-enoyloxybutoxy)phenyl]ethyl]-1,3-benzodioxol-4-yl] 2-O-[2,2-difluoro-7-[4-(4-prop-2-enoyloxybutoxy)benzoyl]oxy-1,3-benzodioxol-4-yl] 9-methyl-9H-fluorene-2,7-dicarboxylate
CID 58776399
[2,2-Difluoro-7-[6-[4-(4-prop-2-enoyloxybutoxy)benzoyl]oxynaphthalene-2-carbonyl]oxy-1,3-benzodioxol-4-yl] 6-[4-(4-prop-2-enoyloxybutoxy)benzoyl]oxynaphthalene-2-carboxylate
CID 58776445
7-O-[2,2-difluoro-7-[2-oxo-2-[4-(4-prop-2-enoyloxybutoxy)phenyl]ethyl]-1,3-benzodioxol-4-yl] 2-O-[2,2-difluoro-7-[4-(3-prop-2-enoyloxypropoxy)benzoyl]oxy-1,3-benzodioxol-4-yl] 9-methyl-9H-fluorene-2,7-dicarboxylate
CID 89383313
6-(4-Tert-butylphenyl)-7-[2-[6-(4-tert-butylphenyl)furo[2,3-f][1,3]benzodioxol-7-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]furo[2,3-f][1,3]benzodioxole
CID 89484098
CID 117946657
CID 117946657
6-(4-Tert-butylphenyl)-7-[2-[(6-ethynoxy-1,3-benzodioxol-5-yl)methyl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]furo[2,3-f][1,3]benzodioxole
CID 134505177

Frequently Asked Questions

What is the IUPAC name of 8-methyl-1-(trifluoromethyl)benzo[b]xanthen-12-one;8-methyl-2-(trifluoromethyl)benzo[b]xanthen-12-one;8-methyl-3-(trifluoromethyl)benzo[b]xanthen-12-one;8-methyl-4-(trifluoromethyl)benzo[b]xanthen-12-one;2,5,7,17,19-pentaoxahexacyclo[11.11.0.03,11.04,8.015,23.016,20]tetracosa-1(13),3(11),4(8),9,14,16(20),21,23-octaen-12-one;2,6,8,18,20-pentaoxahexacyclo[11.11.0.03,11.05,9.015,23.017,21]tetracosa-1(13),3,5(9),10,14,16,21,23-octaen-12-one;5,7,12,19,21-pentaoxahexacyclo[11.11.0.03,11.04,8.015,23.018,22]tetracosa-1(13),3(11),4(8),9,14,16,18(22),23-octaen-2-one;5,7,14,18,20-pentaoxahexacyclo[11.11.0.03,11.04,8.015,23.017,21]tetracosa-1(13),2,4(8),9,11,15,17(21),22-octaen-24-one?
The IUPAC name of 8-methyl-1-(trifluoromethyl)benzo[b]xanthen-12-one;8-methyl-2-(trifluoromethyl)benzo[b]xanthen-12-one;8-methyl-3-(trifluoromethyl)benzo[b]xanthen-12-one;8-methyl-4-(trifluoromethyl)benzo[b]xanthen-12-one;2,5,7,17,19-pentaoxahexacyclo[11.11.0.03,11.04,8.015,23.016,20]tetracosa-1(13),3(11),4(8),9,14,16(20),21,23-octaen-12-one;2,6,8,18,20-pentaoxahexacyclo[11.11.0.03,11.05,9.015,23.017,21]tetracosa-1(13),3,5(9),10,14,16,21,23-octaen-12-one;5,7,12,19,21-pentaoxahexacyclo[11.11.0.03,11.04,8.015,23.018,22]tetracosa-1(13),3(11),4(8),9,14,16,18(22),23-octaen-2-one;5,7,14,18,20-pentaoxahexacyclo[11.11.0.03,11.04,8.015,23.017,21]tetracosa-1(13),2,4(8),9,11,15,17(21),22-octaen-24-one (CID 157058506) is 8-methyl-1-(trifluoromethyl)benzo[b]xanthen-12-one;8-methyl-2-(trifluoromethyl)benzo[b]xanthen-12-one;8-methyl-3-(trifluoromethyl)benzo[b]xanthen-12-one;8-methyl-4-(trifluoromethyl)benzo[b]xanthen-12-one;2,5,7,17,19-pentaoxahexacyclo[11.11.0.03,11.04,8.015,23.016,20]tetracosa-1(13),3(11),4(8),9,14,16(20),21,23-octaen-12-one;2,6,8,18,20-pentaoxahexacyclo[11.11.0.03,11.05,9.015,23.017,21]tetracosa-1(13),3,5(9),10,14,16,21,23-octaen-12-one;5,7,12,19,21-pentaoxahexacyclo[11.11.0.03,11.04,8.015,23.018,22]tetracosa-1(13),3(11),4(8),9,14,16,18(22),23-octaen-2-one;5,7,14,18,20-pentaoxahexacyclo[11.11.0.03,11.04,8.015,23.017,21]tetracosa-1(13),2,4(8),9,11,15,17(21),22-octaen-24-one.
What is the SMILES notation for 8-methyl-1-(trifluoromethyl)benzo[b]xanthen-12-one;8-methyl-2-(trifluoromethyl)benzo[b]xanthen-12-one;8-methyl-3-(trifluoromethyl)benzo[b]xanthen-12-one;8-methyl-4-(trifluoromethyl)benzo[b]xanthen-12-one;2,5,7,17,19-pentaoxahexacyclo[11.11.0.03,11.04,8.015,23.016,20]tetracosa-1(13),3(11),4(8),9,14,16(20),21,23-octaen-12-one;2,6,8,18,20-pentaoxahexacyclo[11.11.0.03,11.05,9.015,23.017,21]tetracosa-1(13),3,5(9),10,14,16,21,23-octaen-12-one;5,7,12,19,21-pentaoxahexacyclo[11.11.0.03,11.04,8.015,23.018,22]tetracosa-1(13),3(11),4(8),9,14,16,18(22),23-octaen-2-one;5,7,14,18,20-pentaoxahexacyclo[11.11.0.03,11.04,8.015,23.017,21]tetracosa-1(13),2,4(8),9,11,15,17(21),22-octaen-24-one?
The canonical SMILES for 8-methyl-1-(trifluoromethyl)benzo[b]xanthen-12-one;8-methyl-2-(trifluoromethyl)benzo[b]xanthen-12-one;8-methyl-3-(trifluoromethyl)benzo[b]xanthen-12-one;8-methyl-4-(trifluoromethyl)benzo[b]xanthen-12-one;2,5,7,17,19-pentaoxahexacyclo[11.11.0.03,11.04,8.015,23.016,20]tetracosa-1(13),3(11),4(8),9,14,16(20),21,23-octaen-12-one;2,6,8,18,20-pentaoxahexacyclo[11.11.0.03,11.05,9.015,23.017,21]tetracosa-1(13),3,5(9),10,14,16,21,23-octaen-12-one;5,7,12,19,21-pentaoxahexacyclo[11.11.0.03,11.04,8.015,23.018,22]tetracosa-1(13),3(11),4(8),9,14,16,18(22),23-octaen-2-one;5,7,14,18,20-pentaoxahexacyclo[11.11.0.03,11.04,8.015,23.017,21]tetracosa-1(13),2,4(8),9,11,15,17(21),22-octaen-24-one is Cc1ccc2cc3c(=O)c4c(C(F)(F)F)cccc4oc3cc2c1.Cc1ccc2cc3c(=O)c4cc(C(F)(F)F)ccc4oc3cc2c1.Cc1ccc2cc3c(=O)c4ccc(C(F)(F)F)cc4oc3cc2c1.Cc1ccc2cc3c(=O)c4cccc(C(F)(F)F)c4oc3cc2c1.O=c1c2cc3c(cc2oc2cc4cc5c(cc4cc12)OCO5)OCO3.O=c1c2cc3c(cc2oc2cc4ccc5c(c4cc12)OCO5)OCO3.O=c1c2cc3c4c(ccc3cc2oc2c3c(ccc12)OCO3)OCO4.O=c1c2cc3c4c(ccc3cc2oc2ccc3c(c12)OCO3)OCO4.
What is the InChIKey of 8-methyl-1-(trifluoromethyl)benzo[b]xanthen-12-one;8-methyl-2-(trifluoromethyl)benzo[b]xanthen-12-one;8-methyl-3-(trifluoromethyl)benzo[b]xanthen-12-one;8-methyl-4-(trifluoromethyl)benzo[b]xanthen-12-one;2,5,7,17,19-pentaoxahexacyclo[11.11.0.03,11.04,8.015,23.016,20]tetracosa-1(13),3(11),4(8),9,14,16(20),21,23-octaen-12-one;2,6,8,18,20-pentaoxahexacyclo[11.11.0.03,11.05,9.015,23.017,21]tetracosa-1(13),3,5(9),10,14,16,21,23-octaen-12-one;5,7,12,19,21-pentaoxahexacyclo[11.11.0.03,11.04,8.015,23.018,22]tetracosa-1(13),3(11),4(8),9,14,16,18(22),23-octaen-2-one;5,7,14,18,20-pentaoxahexacyclo[11.11.0.03,11.04,8.015,23.017,21]tetracosa-1(13),2,4(8),9,11,15,17(21),22-octaen-24-one?
The InChIKey is ABAPLMUYFRIAMU-UHFFFAOYSA-N. The full InChI is InChI=1S/4C19H11F3O2.4C19H10O6/c1-10-2-3-11-7-14-17(8-12(11)6-10)24-16-5-4-13(19(20,21)22)9-15(16)18(14)23;1-10-2-3-11-7-15-16(8-12(11)6-10)24-17-9-13(19(20,21)22)4-5-14(17)18(15)23;1-10-5-6-11-8-13-16(9-12(11)7-10)24-15-4-2-3-14(19(20,21)22)17(15)18(13)23;1-10-5-6-11-8-14-16(9-12(11)7-10)24-18-13(17(14)23)3-2-4-15(18)19(20,21)22;20-19-11-1-9-3-15-16(22-7-21-15)4-10(9)2-13(11)25-14-6-18-17(5-12(14)19)23-8-24-18;20-16-10-2-4-14-19(24-8-22-14)18(10)25-15-5-9-1-3-13-17(23-7-21-13)11(9)6-12(15)16;20-18-11-4-10-9(1-2-13-19(10)24-8-21-13)3-14(11)25-15-6-17-16(5-12(15)18)22-7-23-17;20-17-11-6-10-9(1-2-13-18(10)23-7-21-13)5-15(11)25-12-3-4-14-19(16(12)17)24-8-22-14/h4*2-9H,1H3;4*1-6H,7-8H2.
What are the key properties of 8-methyl-1-(trifluoromethyl)benzo[b]xanthen-12-one;8-methyl-2-(trifluoromethyl)benzo[b]xanthen-12-one;8-methyl-3-(trifluoromethyl)benzo[b]xanthen-12-one;8-methyl-4-(trifluoromethyl)benzo[b]xanthen-12-one;2,5,7,17,19-pentaoxahexacyclo[11.11.0.03,11.04,8.015,23.016,20]tetracosa-1(13),3(11),4(8),9,14,16(20),21,23-octaen-12-one;2,6,8,18,20-pentaoxahexacyclo[11.11.0.03,11.05,9.015,23.017,21]tetracosa-1(13),3,5(9),10,14,16,21,23-octaen-12-one;5,7,12,19,21-pentaoxahexacyclo[11.11.0.03,11.04,8.015,23.018,22]tetracosa-1(13),3(11),4(8),9,14,16,18(22),23-octaen-2-one;5,7,14,18,20-pentaoxahexacyclo[11.11.0.03,11.04,8.015,23.017,21]tetracosa-1(13),2,4(8),9,11,15,17(21),22-octaen-24-one?
8-methyl-1-(trifluoromethyl)benzo[b]xanthen-12-one;8-methyl-2-(trifluoromethyl)benzo[b]xanthen-12-one;8-methyl-3-(trifluoromethyl)benzo[b]xanthen-12-one;8-methyl-4-(trifluoromethyl)benzo[b]xanthen-12-one;2,5,7,17,19-pentaoxahexacyclo[11.11.0.03,11.04,8.015,23.016,20]tetracosa-1(13),3(11),4(8),9,14,16(20),21,23-octaen-12-one;2,6,8,18,20-pentaoxahexacyclo[11.11.0.03,11.05,9.015,23.017,21]tetracosa-1(13),3,5(9),10,14,16,21,23-octaen-12-one;5,7,12,19,21-pentaoxahexacyclo[11.11.0.03,11.04,8.015,23.018,22]tetracosa-1(13),3(11),4(8),9,14,16,18(22),23-octaen-2-one;5,7,14,18,20-pentaoxahexacyclo[11.11.0.03,11.04,8.015,23.017,21]tetracosa-1(13),2,4(8),9,11,15,17(21),22-octaen-24-one has a molecular weight of 2650.29 g/mol, XLogP of 35.93, 0 rotatable bonds, 0 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-1-(trifluoromethyl)benzo[b]xanthen-12-one;8-methyl-2-(trifluoromethyl)benzo[b]xanthen-12-one;8-methyl-3-(trifluoromethyl)benzo[b]xanthen-12-one;8-methyl-4-(trifluoromethyl)benzo[b]xanthen-12-one;2,5,7,17,19-pentaoxahexacyclo[11.11.0.03,11.04,8.015,23.016,20]tetracosa-1(13),3(11),4(8),9,14,16(20),21,23-octaen-12-one;2,6,8,18,20-pentaoxahexacyclo[11.11.0.03,11.05,9.015,23.017,21]tetracosa-1(13),3,5(9),10,14,16,21,23-octaen-12-one;5,7,12,19,21-pentaoxahexacyclo[11.11.0.03,11.04,8.015,23.018,22]tetracosa-1(13),3(11),4(8),9,14,16,18(22),23-octaen-2-one;5,7,14,18,20-pentaoxahexacyclo[11.11.0.03,11.04,8.015,23.017,21]tetracosa-1(13),2,4(8),9,11,15,17(21),22-octaen-24-one is sourced from PubChem (CID 157058506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).