1,5-dimethylanthracene-9,10-dione;2,7-dimethyl-9H-fluorene;3,6-dimethyl-9H-fluorene;4-[2-(3,4-dimethylphenyl)-1,1,1-trifluoropropan-2-yl]-1,2-dimethylbenzene;1-methyl-4-[2-(4-methylphenyl)ethyl]benzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;1-methyl-3-(3-methylphenyl)sulfonylbenzene;(4-methylphenyl) 4-methylbenzoate;1-methyl-4-[1,1,1-trifluoro-2-(4-methylphenyl)propan-2-yl]benzene

C144H144F6O6S — CID 157474806

IUPAC1,5-dimethylanthracene-9,10-dione;2,7-dimethyl-9H-fluorene;3,6-dimethyl-9H-fluorene;4-[2-(3,4-dimethylphenyl)-1,1,1-trifluoropropan-2-yl]-1,2-dimethylbenzene;1-methyl-4-[2-(4-methylphenyl)ethyl]benzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;1-methyl-3-(3-methylphenyl)sulfonylbenzene;(4-methylphenyl) 4-methylbenzoate;1-methyl-4-[1,1,1-trifluoro-2-(4-methylphenyl)propan-2-yl]benzene
SMILESCc1ccc(C(C)(C)c2ccc(C)cc2)cc1.Cc1ccc(C(C)(c2ccc(C)c(C)c2)C(F)(F)F)cc1C.Cc1ccc(C(C)(c2ccc(C)cc2)C(F)(F)F)cc1.Cc1ccc(CCc2ccc(C)cc2)cc1.Cc1ccc(OC(=O)c2ccc(C)cc2)cc1.Cc1ccc2c(c1)-c1cc(C)ccc1C2.Cc1ccc2c(c1)Cc1cc(C)ccc1-2.Cc1cccc(S(=O)(=O)c2cccc(C)c2)c1.Cc1cccc2c1C(=O)c1cccc(C)c1C2=O
InChIInChI=1S/C19H21F3.C17H17F3.C17H20.C16H12O2.C16H18.C15H14O2.2C15H14.C14H14O2S/c1-12-6-8-16(10-14(12)3)18(5,19(20,21)22)17-9-7-13(2)15(4)11-17;1-12-4-8-14(9-5-12)16(3,17(18,19)20)15-10-6-13(2)7-11-15;1-13-5-9-15(10-6-13)17(3,4)16-11-7-14(2)8-12-16;1-9-5-3-7-11-13(9)15(17)12-8-4-6-10(2)14(12)16(11)18;1-13-3-7-15(8-4-13)11-12-16-9-5-14(2)6-10-16;1-11-3-7-13(8-4-11)15(16)17-14-9-5-12(2)6-10-14;1-10-3-5-14-12(7-10)9-13-8-11(2)4-6-15(13)14;1-10-3-5-12-9-13-6-4-11(2)8-15(13)14(12)7-10;1-11-5-3-7-13(9-11)17(15,16)14-8-4-6-12(2)10-14/h6-11H,1-5H3;4-11H,1-3H3;5-12H,1-4H3;3-8H,1-2H3;3-10H,11-12H2,1-2H3;3-10H,1-2H3;2*3-8H,9H2,1-2H3;3-10H,1-2H3
InChIKeyBVLUJAUFWXHPQK-UHFFFAOYSA-N
MW2116.78 g/mol
LogP37.17
Rot. Bonds13

About 1,5-dimethylanthracene-9,10-dione;2,7-dimethyl-9H-fluorene;3,6-dimethyl-9H-fluorene;4-[2-(3,4-dimethylphenyl)-1,1,1-trifluoropropan-2-yl]-1,2-dimethylbenzene;1-methyl-4-[2-(4-methylphenyl)ethyl]benzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;1-methyl-3-(3-methylphenyl)sulfonylbenzene;(4-methylphenyl) 4-methylbenzoate;1-methyl-4-[1,1,1-trifluoro-2-(4-methylphenyl)propan-2-yl]benzene

1,5-dimethylanthracene-9,10-dione;2,7-dimethyl-9H-fluorene;3,6-dimethyl-9H-fluorene;4-[2-(3,4-dimethylphenyl)-1,1,1-trifluoropropan-2-yl]-1,2-dimethylbenzene;1-methyl-4-[2-(4-methylphenyl)ethyl]benzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;1-methyl-3-(3-methylphenyl)sulfonylbenzene;(4-methylphenyl) 4-methylbenzoate;1-methyl-4-[1,1,1-trifluoro-2-(4-methylphenyl)propan-2-yl]benzene (PubChem CID 157474806) has the molecular formula C144H144F6O6S and a molecular weight of 2116.78 g/mol. Its IUPAC name is 1,5-dimethylanthracene-9,10-dione;2,7-dimethyl-9H-fluorene;3,6-dimethyl-9H-fluorene;4-[2-(3,4-dimethylphenyl)-1,1,1-trifluoropropan-2-yl]-1,2-dimethylbenzene;1-methyl-4-[2-(4-methylphenyl)ethyl]benzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;1-methyl-3-(3-methylphenyl)sulfonylbenzene;(4-methylphenyl) 4-methylbenzoate;1-methyl-4-[1,1,1-trifluoro-2-(4-methylphenyl)propan-2-yl]benzene.

Molecular Properties

Compound Name1,5-dimethylanthracene-9,10-dione;2,7-dimethyl-9H-fluorene;3,6-dimethyl-9H-fluorene;4-[2-(3,4-dimethylphenyl)-1,1,1-trifluoropropan-2-yl]-1,2-dimethylbenzene;1-methyl-4-[2-(4-methylphenyl)ethyl]benzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;1-methyl-3-(3-methylphenyl)sulfonylbenzene;(4-methylphenyl) 4-methylbenzoate;1-methyl-4-[1,1,1-trifluoro-2-(4-methylphenyl)propan-2-yl]benzene
PubChem CID157474806
Molecular FormulaC144H144F6O6S
Molecular Weight2116.78 g/mol
Exact Mass2115.06
IUPAC Name1,5-dimethylanthracene-9,10-dione;2,7-dimethyl-9H-fluorene;3,6-dimethyl-9H-fluorene;4-[2-(3,4-dimethylphenyl)-1,1,1-trifluoropropan-2-yl]-1,2-dimethylbenzene;1-methyl-4-[2-(4-methylphenyl)ethyl]benzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;1-methyl-3-(3-methylphenyl)sulfonylbenzene;(4-methylphenyl) 4-methylbenzoate;1-methyl-4-[1,1,1-trifluoro-2-(4-methylphenyl)propan-2-yl]benzene
SMILESCc1ccc(C(C)(C)c2ccc(C)cc2)cc1.Cc1ccc(C(C)(c2ccc(C)c(C)c2)C(F)(F)F)cc1C.Cc1ccc(C(C)(c2ccc(C)cc2)C(F)(F)F)cc1.Cc1ccc(CCc2ccc(C)cc2)cc1.Cc1ccc(OC(=O)c2ccc(C)cc2)cc1.Cc1ccc2c(c1)-c1cc(C)ccc1C2.Cc1ccc2c(c1)Cc1cc(C)ccc1-2.Cc1cccc(S(=O)(=O)c2cccc(C)c2)c1.Cc1cccc2c1C(=O)c1cccc(C)c1C2=O
InChIInChI=1S/C19H21F3.C17H17F3.C17H20.C16H12O2.C16H18.C15H14O2.2C15H14.C14H14O2S/c1-12-6-8-16(10-14(12)3)18(5,19(20,21)22)17-9-7-13(2)15(4)11-17;1-12-4-8-14(9-5-12)16(3,17(18,19)20)15-10-6-13(2)7-11-15;1-13-5-9-15(10-6-13)17(3,4)16-11-7-14(2)8-12-16;1-9-5-3-7-11-13(9)15(17)12-8-4-6-10(2)14(12)16(11)18;1-13-3-7-15(8-4-13)11-12-16-9-5-14(2)6-10-16;1-11-3-7-13(8-4-11)15(16)17-14-9-5-12(2)6-10-14;1-10-3-5-14-12(7-10)9-13-8-11(2)4-6-15(13)14;1-10-3-5-12-9-13-6-4-11(2)8-15(13)14(12)7-10;1-11-5-3-7-13(9-11)17(15,16)14-8-4-6-12(2)10-14/h6-11H,1-5H3;4-11H,1-3H3;5-12H,1-4H3;3-8H,1-2H3;3-10H,11-12H2,1-2H3;3-10H,1-2H3;2*3-8H,9H2,1-2H3;3-10H,1-2H3
InChIKeyBVLUJAUFWXHPQK-UHFFFAOYSA-N
XLogP37.17
TPSA94.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms157
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002116.78
LogP ≤ 537.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze 1,5-dimethylanthracene-9,10-dione;2,7-dimethyl-9H-fluorene;3,6-dimethyl-9H-fluorene;4-[2-(3,4-dimethylphenyl)-1,1,1-trifluoropropan-2-yl]-1,2-dimethylbenzene;1-methyl-4-[2-(4-methylphenyl)ethyl]benzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;1-methyl-3-(3-methylphenyl)sulfonylbenzene;(4-methylphenyl) 4-methylbenzoate;1-methyl-4-[1,1,1-trifluoro-2-(4-methylphenyl)propan-2-yl]benzene with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1,5-dimethylanthracene-9,10-dione;2,7-dimethyl-9H-fluorene;3,6-dimethyl-9H-fluorene;4-[2-(3,4-dimethylphenyl)-1,1,1-trifluoropropan-2-yl]-1,2-dimethylbenzene;1-methyl-4-[2-(4-methylphenyl)ethyl]benzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;1-methyl-3-(3-methylphenyl)sulfonylbenzene;(4-methylphenyl) 4-methylbenzoate;1-methyl-4-[1,1,1-trifluoro-2-(4-methylphenyl)propan-2-yl]benzene?
The IUPAC name of 1,5-dimethylanthracene-9,10-dione;2,7-dimethyl-9H-fluorene;3,6-dimethyl-9H-fluorene;4-[2-(3,4-dimethylphenyl)-1,1,1-trifluoropropan-2-yl]-1,2-dimethylbenzene;1-methyl-4-[2-(4-methylphenyl)ethyl]benzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;1-methyl-3-(3-methylphenyl)sulfonylbenzene;(4-methylphenyl) 4-methylbenzoate;1-methyl-4-[1,1,1-trifluoro-2-(4-methylphenyl)propan-2-yl]benzene (CID 157474806) is 1,5-dimethylanthracene-9,10-dione;2,7-dimethyl-9H-fluorene;3,6-dimethyl-9H-fluorene;4-[2-(3,4-dimethylphenyl)-1,1,1-trifluoropropan-2-yl]-1,2-dimethylbenzene;1-methyl-4-[2-(4-methylphenyl)ethyl]benzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;1-methyl-3-(3-methylphenyl)sulfonylbenzene;(4-methylphenyl) 4-methylbenzoate;1-methyl-4-[1,1,1-trifluoro-2-(4-methylphenyl)propan-2-yl]benzene.
What is the SMILES notation for 1,5-dimethylanthracene-9,10-dione;2,7-dimethyl-9H-fluorene;3,6-dimethyl-9H-fluorene;4-[2-(3,4-dimethylphenyl)-1,1,1-trifluoropropan-2-yl]-1,2-dimethylbenzene;1-methyl-4-[2-(4-methylphenyl)ethyl]benzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;1-methyl-3-(3-methylphenyl)sulfonylbenzene;(4-methylphenyl) 4-methylbenzoate;1-methyl-4-[1,1,1-trifluoro-2-(4-methylphenyl)propan-2-yl]benzene?
The canonical SMILES for 1,5-dimethylanthracene-9,10-dione;2,7-dimethyl-9H-fluorene;3,6-dimethyl-9H-fluorene;4-[2-(3,4-dimethylphenyl)-1,1,1-trifluoropropan-2-yl]-1,2-dimethylbenzene;1-methyl-4-[2-(4-methylphenyl)ethyl]benzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;1-methyl-3-(3-methylphenyl)sulfonylbenzene;(4-methylphenyl) 4-methylbenzoate;1-methyl-4-[1,1,1-trifluoro-2-(4-methylphenyl)propan-2-yl]benzene is Cc1ccc(C(C)(C)c2ccc(C)cc2)cc1.Cc1ccc(C(C)(c2ccc(C)c(C)c2)C(F)(F)F)cc1C.Cc1ccc(C(C)(c2ccc(C)cc2)C(F)(F)F)cc1.Cc1ccc(CCc2ccc(C)cc2)cc1.Cc1ccc(OC(=O)c2ccc(C)cc2)cc1.Cc1ccc2c(c1)-c1cc(C)ccc1C2.Cc1ccc2c(c1)Cc1cc(C)ccc1-2.Cc1cccc(S(=O)(=O)c2cccc(C)c2)c1.Cc1cccc2c1C(=O)c1cccc(C)c1C2=O.
What is the InChIKey of 1,5-dimethylanthracene-9,10-dione;2,7-dimethyl-9H-fluorene;3,6-dimethyl-9H-fluorene;4-[2-(3,4-dimethylphenyl)-1,1,1-trifluoropropan-2-yl]-1,2-dimethylbenzene;1-methyl-4-[2-(4-methylphenyl)ethyl]benzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;1-methyl-3-(3-methylphenyl)sulfonylbenzene;(4-methylphenyl) 4-methylbenzoate;1-methyl-4-[1,1,1-trifluoro-2-(4-methylphenyl)propan-2-yl]benzene?
The InChIKey is BVLUJAUFWXHPQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3.C17H17F3.C17H20.C16H12O2.C16H18.C15H14O2.2C15H14.C14H14O2S/c1-12-6-8-16(10-14(12)3)18(5,19(20,21)22)17-9-7-13(2)15(4)11-17;1-12-4-8-14(9-5-12)16(3,17(18,19)20)15-10-6-13(2)7-11-15;1-13-5-9-15(10-6-13)17(3,4)16-11-7-14(2)8-12-16;1-9-5-3-7-11-13(9)15(17)12-8-4-6-10(2)14(12)16(11)18;1-13-3-7-15(8-4-13)11-12-16-9-5-14(2)6-10-16;1-11-3-7-13(8-4-11)15(16)17-14-9-5-12(2)6-10-14;1-10-3-5-14-12(7-10)9-13-8-11(2)4-6-15(13)14;1-10-3-5-12-9-13-6-4-11(2)8-15(13)14(12)7-10;1-11-5-3-7-13(9-11)17(15,16)14-8-4-6-12(2)10-14/h6-11H,1-5H3;4-11H,1-3H3;5-12H,1-4H3;3-8H,1-2H3;3-10H,11-12H2,1-2H3;3-10H,1-2H3;2*3-8H,9H2,1-2H3;3-10H,1-2H3.
What are the key properties of 1,5-dimethylanthracene-9,10-dione;2,7-dimethyl-9H-fluorene;3,6-dimethyl-9H-fluorene;4-[2-(3,4-dimethylphenyl)-1,1,1-trifluoropropan-2-yl]-1,2-dimethylbenzene;1-methyl-4-[2-(4-methylphenyl)ethyl]benzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;1-methyl-3-(3-methylphenyl)sulfonylbenzene;(4-methylphenyl) 4-methylbenzoate;1-methyl-4-[1,1,1-trifluoro-2-(4-methylphenyl)propan-2-yl]benzene?
1,5-dimethylanthracene-9,10-dione;2,7-dimethyl-9H-fluorene;3,6-dimethyl-9H-fluorene;4-[2-(3,4-dimethylphenyl)-1,1,1-trifluoropropan-2-yl]-1,2-dimethylbenzene;1-methyl-4-[2-(4-methylphenyl)ethyl]benzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;1-methyl-3-(3-methylphenyl)sulfonylbenzene;(4-methylphenyl) 4-methylbenzoate;1-methyl-4-[1,1,1-trifluoro-2-(4-methylphenyl)propan-2-yl]benzene has a molecular weight of 2116.78 g/mol, XLogP of 37.17, 13 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethylanthracene-9,10-dione;2,7-dimethyl-9H-fluorene;3,6-dimethyl-9H-fluorene;4-[2-(3,4-dimethylphenyl)-1,1,1-trifluoropropan-2-yl]-1,2-dimethylbenzene;1-methyl-4-[2-(4-methylphenyl)ethyl]benzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;1-methyl-3-(3-methylphenyl)sulfonylbenzene;(4-methylphenyl) 4-methylbenzoate;1-methyl-4-[1,1,1-trifluoro-2-(4-methylphenyl)propan-2-yl]benzene is sourced from PubChem (CID 157474806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).