9,9-bis(4-methoxyphenyl)fluorene;1,4-dimethoxybenzene;1-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]-4-methoxybenzene;1-methoxy-4-[2-(4-methoxyphenyl)propan-2-yl]benzene;methylsulfanylmethane

C71H72F6O8S — CID 158814053

IUPAC9,9-bis(4-methoxyphenyl)fluorene;1,4-dimethoxybenzene;1-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]-4-methoxybenzene;1-methoxy-4-[2-(4-methoxyphenyl)propan-2-yl]benzene;methylsulfanylmethane
SMILESCOc1ccc(C(C)(C)c2ccc(OC)cc2)cc1.COc1ccc(C(c2ccc(OC)cc2)(C(F)(F)F)C(F)(F)F)cc1.COc1ccc(C2(c3ccc(OC)cc3)c3ccccc3-c3ccccc32)cc1.COc1ccc(OC)cc1.CSC
InChIInChI=1S/C27H22O2.C17H14F6O2.C17H20O2.C8H10O2.C2H6S/c1-28-21-15-11-19(12-16-21)27(20-13-17-22(29-2)18-14-20)25-9-5-3-7-23(25)24-8-4-6-10-26(24)27;1-24-13-7-3-11(4-8-13)15(16(18,19)20,17(21,22)23)12-5-9-14(25-2)10-6-12;1-17(2,13-5-9-15(18-3)10-6-13)14-7-11-16(19-4)12-8-14;1-9-7-3-5-8(10-2)6-4-7;1-3-2/h3-18H,1-2H3;3-10H,1-2H3;5-12H,1-4H3;3-6H,1-2H3;1-2H3
InChIKeyIVAUZZBSIUGGIB-UHFFFAOYSA-N
MW1199.40 g/mol
LogP17.89
Rot. Bonds14

About 9,9-bis(4-methoxyphenyl)fluorene;1,4-dimethoxybenzene;1-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]-4-methoxybenzene;1-methoxy-4-[2-(4-methoxyphenyl)propan-2-yl]benzene;methylsulfanylmethane

9,9-bis(4-methoxyphenyl)fluorene;1,4-dimethoxybenzene;1-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]-4-methoxybenzene;1-methoxy-4-[2-(4-methoxyphenyl)propan-2-yl]benzene;methylsulfanylmethane (PubChem CID 158814053) has the molecular formula C71H72F6O8S and a molecular weight of 1199.40 g/mol. Its IUPAC name is 9,9-bis(4-methoxyphenyl)fluorene;1,4-dimethoxybenzene;1-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]-4-methoxybenzene;1-methoxy-4-[2-(4-methoxyphenyl)propan-2-yl]benzene;methylsulfanylmethane.

Molecular Properties

Compound Name9,9-bis(4-methoxyphenyl)fluorene;1,4-dimethoxybenzene;1-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]-4-methoxybenzene;1-methoxy-4-[2-(4-methoxyphenyl)propan-2-yl]benzene;methylsulfanylmethane
PubChem CID158814053
Molecular FormulaC71H72F6O8S
Molecular Weight1199.40 g/mol
Exact Mass1198.49
IUPAC Name9,9-bis(4-methoxyphenyl)fluorene;1,4-dimethoxybenzene;1-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]-4-methoxybenzene;1-methoxy-4-[2-(4-methoxyphenyl)propan-2-yl]benzene;methylsulfanylmethane
SMILESCOc1ccc(C(C)(C)c2ccc(OC)cc2)cc1.COc1ccc(C(c2ccc(OC)cc2)(C(F)(F)F)C(F)(F)F)cc1.COc1ccc(C2(c3ccc(OC)cc3)c3ccccc3-c3ccccc32)cc1.COc1ccc(OC)cc1.CSC
InChIInChI=1S/C27H22O2.C17H14F6O2.C17H20O2.C8H10O2.C2H6S/c1-28-21-15-11-19(12-16-21)27(20-13-17-22(29-2)18-14-20)25-9-5-3-7-23(25)24-8-4-6-10-26(24)27;1-24-13-7-3-11(4-8-13)15(16(18,19)20,17(21,22)23)12-5-9-14(25-2)10-6-12;1-17(2,13-5-9-15(18-3)10-6-13)14-7-11-16(19-4)12-8-14;1-9-7-3-5-8(10-2)6-4-7;1-3-2/h3-18H,1-2H3;3-10H,1-2H3;5-12H,1-4H3;3-6H,1-2H3;1-2H3
InChIKeyIVAUZZBSIUGGIB-UHFFFAOYSA-N
XLogP17.89
TPSA73.84 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds14
Heavy Atoms86
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001199.40
LogP ≤ 517.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 9,9-bis(4-methoxyphenyl)fluorene;1,4-dimethoxybenzene;1-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]-4-methoxybenzene;1-methoxy-4-[2-(4-methoxyphenyl)propan-2-yl]benzene;methylsulfanylmethane with MolForge

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Related Compounds

9,9-bis(4-methoxyphenyl)fluorene;ethane
CID 159536685
9,9-bis(4-methylphenyl)fluorene;1-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]-4-methylbenzene;1-methyl-4-[(4-methylphenyl)methyl]benzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;1,3-xylene;1,4-xylene
CID 159722596
1,4-bis[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]benzene
CID 88568102
9-(4-ethoxyphenyl)-9-(4-methoxyphenyl)fluorene
CID 21037516
1-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]-4-methylbenzene;1-methoxy-4-[2-(4-methylphenyl)propan-2-yl]benzene;1-methoxy-4-[2-[3-[2-(4-methylphenyl)propan-2-yl]phenyl]propan-2-yl]benzene
CID 159097892
[4-[4-[9-(4-methoxyphenyl)fluoren-9-yl]phenoxy]phenyl]-[4-(3-methylpentan-3-yl)phenyl]methanone
CID 71000391
5-[4-[9-[4-[(1,3-dioxo-2-benzofuran-5-yl)oxy]phenyl]fluoren-9-yl]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;5-[2-(1,3-dioxo-2-benzofuran-5-yl)-1,1,1-trifluoropropan-2-yl]-2-benzofuran-1,3-dione
CID 158948601
benzene;benzylbenzene;1,1'-biphenyl;9,9-diphenylfluorene;ethane;(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)benzene;methoxymethane;methylsulfanylmethane;methylsulfonylmethane;naphthalene;2-phenylbutan-2-ylbenzene;2-phenylpropan-2-ylbenzene;propane;propan-2-one
CID 159226551
9,9-bis(4-methoxyphenyl)fluorene-2-carbaldehyde
CID 174747759
[4-[2-[4-[4-[4-[9-[4-(4-methoxyphenyl)phenyl]fluoren-9-yl]phenyl]phenoxy]carbonyloxy-3-methylphenyl]propan-2-yl]-2-methylphenyl] acetate
CID 89403263
2-methoxy-N,N-bis[2-methoxy-4-[9-(4-methoxyphenyl)fluoren-9-yl]phenyl]-4-[9-(4-methoxyphenyl)fluoren-9-yl]aniline
CID 132569394
[4-[9-(4-methoxyphenyl)fluoren-9-yl]phenyl] prop-2-enoate
CID 155279972

Frequently Asked Questions

What is the IUPAC name of 9,9-bis(4-methoxyphenyl)fluorene;1,4-dimethoxybenzene;1-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]-4-methoxybenzene;1-methoxy-4-[2-(4-methoxyphenyl)propan-2-yl]benzene;methylsulfanylmethane?
The IUPAC name of 9,9-bis(4-methoxyphenyl)fluorene;1,4-dimethoxybenzene;1-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]-4-methoxybenzene;1-methoxy-4-[2-(4-methoxyphenyl)propan-2-yl]benzene;methylsulfanylmethane (CID 158814053) is 9,9-bis(4-methoxyphenyl)fluorene;1,4-dimethoxybenzene;1-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]-4-methoxybenzene;1-methoxy-4-[2-(4-methoxyphenyl)propan-2-yl]benzene;methylsulfanylmethane.
What is the SMILES notation for 9,9-bis(4-methoxyphenyl)fluorene;1,4-dimethoxybenzene;1-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]-4-methoxybenzene;1-methoxy-4-[2-(4-methoxyphenyl)propan-2-yl]benzene;methylsulfanylmethane?
The canonical SMILES for 9,9-bis(4-methoxyphenyl)fluorene;1,4-dimethoxybenzene;1-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]-4-methoxybenzene;1-methoxy-4-[2-(4-methoxyphenyl)propan-2-yl]benzene;methylsulfanylmethane is COc1ccc(C(C)(C)c2ccc(OC)cc2)cc1.COc1ccc(C(c2ccc(OC)cc2)(C(F)(F)F)C(F)(F)F)cc1.COc1ccc(C2(c3ccc(OC)cc3)c3ccccc3-c3ccccc32)cc1.COc1ccc(OC)cc1.CSC.
What is the InChIKey of 9,9-bis(4-methoxyphenyl)fluorene;1,4-dimethoxybenzene;1-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]-4-methoxybenzene;1-methoxy-4-[2-(4-methoxyphenyl)propan-2-yl]benzene;methylsulfanylmethane?
The InChIKey is IVAUZZBSIUGGIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22O2.C17H14F6O2.C17H20O2.C8H10O2.C2H6S/c1-28-21-15-11-19(12-16-21)27(20-13-17-22(29-2)18-14-20)25-9-5-3-7-23(25)24-8-4-6-10-26(24)27;1-24-13-7-3-11(4-8-13)15(16(18,19)20,17(21,22)23)12-5-9-14(25-2)10-6-12;1-17(2,13-5-9-15(18-3)10-6-13)14-7-11-16(19-4)12-8-14;1-9-7-3-5-8(10-2)6-4-7;1-3-2/h3-18H,1-2H3;3-10H,1-2H3;5-12H,1-4H3;3-6H,1-2H3;1-2H3.
What are the key properties of 9,9-bis(4-methoxyphenyl)fluorene;1,4-dimethoxybenzene;1-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]-4-methoxybenzene;1-methoxy-4-[2-(4-methoxyphenyl)propan-2-yl]benzene;methylsulfanylmethane?
9,9-bis(4-methoxyphenyl)fluorene;1,4-dimethoxybenzene;1-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]-4-methoxybenzene;1-methoxy-4-[2-(4-methoxyphenyl)propan-2-yl]benzene;methylsulfanylmethane has a molecular weight of 1199.40 g/mol, XLogP of 17.89, 14 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-bis(4-methoxyphenyl)fluorene;1,4-dimethoxybenzene;1-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]-4-methoxybenzene;1-methoxy-4-[2-(4-methoxyphenyl)propan-2-yl]benzene;methylsulfanylmethane is sourced from PubChem (CID 158814053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).