bis(3-methylphenyl)methanone;9-[bis(3-methylphenyl)methyl]-9H-fluorene;ethane;1-[1,1,1,3,3,3-hexafluoro-2-(3-methylphenyl)propan-2-yl]-3-methylbenzene;1-methyl-3-(3-methylphenoxy)benzene;1-methyl-3-(3-methylphenyl)benzene;1-methyl-3-[2-(3-methylphenyl)propan-2-yl]benzene;1-methyl-3-(3-methylphenyl)sulfonylbenzene

C147H198F6O4S — CID 157484379

IUPACbis(3-methylphenyl)methanone;9-[bis(3-methylphenyl)methyl]-9H-fluorene;ethane;1-[1,1,1,3,3,3-hexafluoro-2-(3-methylphenyl)propan-2-yl]-3-methylbenzene;1-methyl-3-(3-methylphenoxy)benzene;1-methyl-3-(3-methylphenyl)benzene;1-methyl-3-[2-(3-methylphenyl)propan-2-yl]benzene;1-methyl-3-(3-methylphenyl)sulfonylbenzene
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1cccc(-c2cccc(C)c2)c1.Cc1cccc(C(=O)c2cccc(C)c2)c1.Cc1cccc(C(C)(C)c2cccc(C)c2)c1.Cc1cccc(C(c2cccc(C)c2)(C(F)(F)F)C(F)(F)F)c1.Cc1cccc(C(c2cccc(C)c2)C2c3ccccc3-c3ccccc32)c1.Cc1cccc(Oc2cccc(C)c2)c1.Cc1cccc(S(=O)(=O)c2cccc(C)c2)c1
InChIInChI=1S/C28H24.C17H14F6.C17H20.C15H14O.C14H14O2S.C14H14O.C14H14.14C2H6/c1-19-9-7-11-21(17-19)27(22-12-8-10-20(2)18-22)28-25-15-5-3-13-23(25)24-14-4-6-16-26(24)28;1-11-5-3-7-13(9-11)15(16(18,19)20,17(21,22)23)14-8-4-6-12(2)10-14;1-13-7-5-9-15(11-13)17(3,4)16-10-6-8-14(2)12-16;1-11-5-3-7-13(9-11)15(16)14-8-4-6-12(2)10-14;1-11-5-3-7-13(9-11)17(15,16)14-8-4-6-12(2)10-14;1-11-5-3-7-13(9-11)15-14-8-4-6-12(2)10-14;1-11-5-3-7-13(9-11)14-8-4-6-12(2)10-14;14*1-2/h3-18,27-28H,1-2H3;3-10H,1-2H3;5-12H,1-4H3;3-10H,1-2H3;3-10H,1-2H3;3-10H,1-2H3;3-10H,1-2H3;14*1-2H3
InChIKeyBWNNFJVEKVXTAO-UHFFFAOYSA-N
MW2175.25 g/mol
LogP46.69
Rot. Bonds14

About bis(3-methylphenyl)methanone;9-[bis(3-methylphenyl)methyl]-9H-fluorene;ethane;1-[1,1,1,3,3,3-hexafluoro-2-(3-methylphenyl)propan-2-yl]-3-methylbenzene;1-methyl-3-(3-methylphenoxy)benzene;1-methyl-3-(3-methylphenyl)benzene;1-methyl-3-[2-(3-methylphenyl)propan-2-yl]benzene;1-methyl-3-(3-methylphenyl)sulfonylbenzene

bis(3-methylphenyl)methanone;9-[bis(3-methylphenyl)methyl]-9H-fluorene;ethane;1-[1,1,1,3,3,3-hexafluoro-2-(3-methylphenyl)propan-2-yl]-3-methylbenzene;1-methyl-3-(3-methylphenoxy)benzene;1-methyl-3-(3-methylphenyl)benzene;1-methyl-3-[2-(3-methylphenyl)propan-2-yl]benzene;1-methyl-3-(3-methylphenyl)sulfonylbenzene (PubChem CID 157484379) has the molecular formula C147H198F6O4S and a molecular weight of 2175.25 g/mol. Its IUPAC name is bis(3-methylphenyl)methanone;9-[bis(3-methylphenyl)methyl]-9H-fluorene;ethane;1-[1,1,1,3,3,3-hexafluoro-2-(3-methylphenyl)propan-2-yl]-3-methylbenzene;1-methyl-3-(3-methylphenoxy)benzene;1-methyl-3-(3-methylphenyl)benzene;1-methyl-3-[2-(3-methylphenyl)propan-2-yl]benzene;1-methyl-3-(3-methylphenyl)sulfonylbenzene.

Molecular Properties

Compound Namebis(3-methylphenyl)methanone;9-[bis(3-methylphenyl)methyl]-9H-fluorene;ethane;1-[1,1,1,3,3,3-hexafluoro-2-(3-methylphenyl)propan-2-yl]-3-methylbenzene;1-methyl-3-(3-methylphenoxy)benzene;1-methyl-3-(3-methylphenyl)benzene;1-methyl-3-[2-(3-methylphenyl)propan-2-yl]benzene;1-methyl-3-(3-methylphenyl)sulfonylbenzene
PubChem CID157484379
Molecular FormulaC147H198F6O4S
Molecular Weight2175.25 g/mol
Exact Mass2173.49
IUPAC Namebis(3-methylphenyl)methanone;9-[bis(3-methylphenyl)methyl]-9H-fluorene;ethane;1-[1,1,1,3,3,3-hexafluoro-2-(3-methylphenyl)propan-2-yl]-3-methylbenzene;1-methyl-3-(3-methylphenoxy)benzene;1-methyl-3-(3-methylphenyl)benzene;1-methyl-3-[2-(3-methylphenyl)propan-2-yl]benzene;1-methyl-3-(3-methylphenyl)sulfonylbenzene
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1cccc(-c2cccc(C)c2)c1.Cc1cccc(C(=O)c2cccc(C)c2)c1.Cc1cccc(C(C)(C)c2cccc(C)c2)c1.Cc1cccc(C(c2cccc(C)c2)(C(F)(F)F)C(F)(F)F)c1.Cc1cccc(C(c2cccc(C)c2)C2c3ccccc3-c3ccccc32)c1.Cc1cccc(Oc2cccc(C)c2)c1.Cc1cccc(S(=O)(=O)c2cccc(C)c2)c1
InChIInChI=1S/C28H24.C17H14F6.C17H20.C15H14O.C14H14O2S.C14H14O.C14H14.14C2H6/c1-19-9-7-11-21(17-19)27(22-12-8-10-20(2)18-22)28-25-15-5-3-13-23(25)24-14-4-6-16-26(24)28;1-11-5-3-7-13(9-11)15(16(18,19)20,17(21,22)23)14-8-4-6-12(2)10-14;1-13-7-5-9-15(11-13)17(3,4)16-10-6-8-14(2)12-16;1-11-5-3-7-13(9-11)15(16)14-8-4-6-12(2)10-14;1-11-5-3-7-13(9-11)17(15,16)14-8-4-6-12(2)10-14;1-11-5-3-7-13(9-11)15-14-8-4-6-12(2)10-14;1-11-5-3-7-13(9-11)14-8-4-6-12(2)10-14;14*1-2/h3-18,27-28H,1-2H3;3-10H,1-2H3;5-12H,1-4H3;3-10H,1-2H3;3-10H,1-2H3;3-10H,1-2H3;3-10H,1-2H3;14*1-2H3
InChIKeyBWNNFJVEKVXTAO-UHFFFAOYSA-N
XLogP46.69
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms158
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002175.25
LogP ≤ 546.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze bis(3-methylphenyl)methanone;9-[bis(3-methylphenyl)methyl]-9H-fluorene;ethane;1-[1,1,1,3,3,3-hexafluoro-2-(3-methylphenyl)propan-2-yl]-3-methylbenzene;1-methyl-3-(3-methylphenoxy)benzene;1-methyl-3-(3-methylphenyl)benzene;1-methyl-3-[2-(3-methylphenyl)propan-2-yl]benzene;1-methyl-3-(3-methylphenyl)sulfonylbenzene with MolForge

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Related Compounds

1,1'-biphenyl;bis(3,4-dimethylphenyl)methanone;4-(3,4-dimethylphenoxy)-1,2-dimethylbenzene;4-[4-(3,4-dimethylphenoxy)phenoxy]-1,2-dimethylbenzene;4-[4-[2-[4-(3,4-dimethylphenoxy)phenyl]propan-2-yl]phenoxy]-1,2-dimethylbenzene;4-[2-(3,4-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,2-dimethylbenzene;4-[2-(3,4-dimethylphenyl)propan-2-yl]-1,2-dimethylbenzene;4-(3,4-dimethylphenyl)sulfonyl-1,2-dimethylbenzene;ethane;naphthalene;1,2,4,5-tetramethylbenzene
CID 158595488
1-[4-[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-[4-(3-methylphenoxy)phenyl]sulfonylphenoxy]phenyl]propan-2-yl]phenoxy]phenyl]sulfonylphenoxy]-3-methylbenzene
CID 135215267
1,3-bis(3-methylphenoxy)benzene;1,3-bis(4-methylphenoxy)benzene;9,9-bis(4-methylphenyl)fluorene;4-(3,4-dimethylphenyl)-1,2-dimethylbenzene;1-[1,1,1,3,3,3-hexafluoro-2-[4-(4-methylphenoxy)phenyl]propan-2-yl]-4-(4-methylphenoxy)benzene;1-methyl-3-[4-(4-methylphenoxy)phenoxy]benzene;1-methyl-4-[3-[3-(4-methylphenoxy)phenyl]phenoxy]benzene;1-methyl-4-[4-[4-(4-methylphenoxy)phenyl]phenoxy]benzene;1-methyl-4-[4-[2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;1-methyl-4-[4-[4-(4-methylphenoxy)phenyl]sulfonylphenoxy]benzene;1-(4-methylphenoxy)-3-[3-(4-methylphenoxy)phenyl]sulfonylbenzene
CID 159261526
(3-methylphenyl)-[3-(trifluoromethyl)phenyl]methanone
CID 55026756
1-methyl-3-[3-[3-(3-methylphenoxy)phenyl]sulfonylphenoxy]benzene
CID 54209209
bis(3-methylphenyl)methanone;bis(4-methylphenyl)methanone;1-[difluoro-(3-methylphenyl)methyl]-3-methylbenzene;1-[difluoro-(3-methylphenyl)methyl]-4-methylbenzene;1-[difluoro-(4-methylphenyl)methyl]-4-methylbenzene;1-[1,1,1,3,3,3-hexafluoro-2-(3-methylphenyl)propan-2-yl]-4-methylbenzene;1-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]-4-methylbenzene;1-methyl-3-[(3-methylphenyl)methyl]benzene;1-methyl-3-[2-(3-methylphenyl)propan-2-yl]benzene;1-methyl-3-[2-(4-methylphenyl)propan-2-yl]benzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;(3-methylphenyl)-(4-methylphenyl)methanone
CID 160711878
[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-[4-(4-methylphenyl)sulfonylphenyl]benzoyl]phenyl]propan-2-yl]phenyl]-[4-[4-(4-methylphenyl)sulfonylphenyl]phenyl]methanone;1-(4-methylphenyl)sulfonyl-3-[4-[4-[4-[4-[4-(4-methylphenyl)sulfonylphenyl]phenyl]sulfonylphenyl]phenyl]sulfonylphenyl]benzene;[6-[4-[4-(4-methylphenyl)sulfonylphenyl]benzoyl]naphthalen-2-yl]-[4-[4-(4-methylphenyl)sulfonylphenyl]phenyl]methanone;[7-[4-[4-(4-methylphenyl)sulfonylphenyl]benzoyl]naphthalen-2-yl]-[4-[4-(4-methylphenyl)sulfonylphenyl]phenyl]methanone
CID 159293606
benzenesulfonylbenzene;benzylbenzene;bicyclo[2.2.2]octane;bicyclo[2.2.2]oct-2-ene;1,1'-biphenyl;cyclohexane;cyclohexylcyclohexane;diphenylmethanone;ethane;(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)benzene;phenoxybenzene;2-phenylpropan-2-ylbenzene;triphenylmethanol
CID 159149292
bis(3,4-dimethylphenyl)methanone;4-(3,4-dimethylphenoxy)-1,2-dimethylbenzene;4-[4-(3,4-dimethylphenoxy)phenoxy]-1,2-dimethylbenzene;4-(3,4-dimethylphenyl)-1,2-dimethylbenzene;4-[2-(3,4-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,2-dimethylbenzene;4-(3,4-dimethylphenyl)sulfonyl-1,2-dimethylbenzene;1,2,4,5-tetramethylbenzene
CID 159397283
1,4-bis(4-methylphenoxy)benzene;2-chloro-4-[(3-chloro-4-methylphenyl)methyl]-1-methylbenzene;4-[2-(3,4-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,2-dimethylbenzene;4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-methylphenol;1-[1,1,1,3,3,3-hexafluoro-2-(3-methylphenyl)propan-2-yl]-3-methylbenzene;1-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]-4-methylbenzene;1-methyl-4-[(4-methylcyclohexyl)methyl]cyclohexane;1-methyl-3-[4-[2-[4-(3-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;1-methyl-4-[4-[2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;1-methyl-4-[2-(4-methylphenyl)ethyl]benzene;1-methyl-3-(3-methylphenyl)sulfonylbenzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene;(3-methylphenyl)-(4-methylphenyl)methanone;molecular hydrogen;1,2,3,4,5-pentamethylbenzene;1,2,3-trimethylbenzene
CID 159518662
N-[5-[2-(3-benzamido-4-hydroxyphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-hydroxyphenyl]benzamide;N-[5-[2-(3-benzamido-4-hydroxyphenyl)propan-2-yl]-2-hydroxyphenyl]benzamide;1-N,3-N-bis(2,4-dihydroxy-5-methylphenyl)benzene-1,3-dicarboxamide;1-N,3-N-bis(2-hydroxy-5-methylphenyl)benzene-1,3-dicarboxamide;ethane;4-[1,1,1,3,3,3-hexafluoro-2-[4-[(2-hydroxy-5-methylphenyl)carbamoyl]phenyl]propan-2-yl]-N-(2-hydroxy-5-methylphenyl)benzamide;N-(2-hydroxy-5-methylphenyl)-4-[4-[(2-hydroxy-5-methylphenyl)carbamoyl]phenoxy]benzamide;N-(2-hydroxy-5-methylphenyl)-4-[2-[4-[(2-hydroxy-5-methylphenyl)carbamoyl]phenyl]propan-2-yl]benzamide;N-(2-hydroxy-5-methylphenyl)-4-[4-[(2-hydroxy-5-methylphenyl)carbamoyl]phenyl]sulfonylbenzamide
CID 160910066
[5-[4-[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]propan-2-yl]phenoxy]phenyl]sulfonylphenyl]-2-methylphenyl]-[3-(trioxidanylsulfanyl)phenyl]methanone
CID 59228894

Frequently Asked Questions

What is the IUPAC name of bis(3-methylphenyl)methanone;9-[bis(3-methylphenyl)methyl]-9H-fluorene;ethane;1-[1,1,1,3,3,3-hexafluoro-2-(3-methylphenyl)propan-2-yl]-3-methylbenzene;1-methyl-3-(3-methylphenoxy)benzene;1-methyl-3-(3-methylphenyl)benzene;1-methyl-3-[2-(3-methylphenyl)propan-2-yl]benzene;1-methyl-3-(3-methylphenyl)sulfonylbenzene?
The IUPAC name of bis(3-methylphenyl)methanone;9-[bis(3-methylphenyl)methyl]-9H-fluorene;ethane;1-[1,1,1,3,3,3-hexafluoro-2-(3-methylphenyl)propan-2-yl]-3-methylbenzene;1-methyl-3-(3-methylphenoxy)benzene;1-methyl-3-(3-methylphenyl)benzene;1-methyl-3-[2-(3-methylphenyl)propan-2-yl]benzene;1-methyl-3-(3-methylphenyl)sulfonylbenzene (CID 157484379) is bis(3-methylphenyl)methanone;9-[bis(3-methylphenyl)methyl]-9H-fluorene;ethane;1-[1,1,1,3,3,3-hexafluoro-2-(3-methylphenyl)propan-2-yl]-3-methylbenzene;1-methyl-3-(3-methylphenoxy)benzene;1-methyl-3-(3-methylphenyl)benzene;1-methyl-3-[2-(3-methylphenyl)propan-2-yl]benzene;1-methyl-3-(3-methylphenyl)sulfonylbenzene.
What is the SMILES notation for bis(3-methylphenyl)methanone;9-[bis(3-methylphenyl)methyl]-9H-fluorene;ethane;1-[1,1,1,3,3,3-hexafluoro-2-(3-methylphenyl)propan-2-yl]-3-methylbenzene;1-methyl-3-(3-methylphenoxy)benzene;1-methyl-3-(3-methylphenyl)benzene;1-methyl-3-[2-(3-methylphenyl)propan-2-yl]benzene;1-methyl-3-(3-methylphenyl)sulfonylbenzene?
The canonical SMILES for bis(3-methylphenyl)methanone;9-[bis(3-methylphenyl)methyl]-9H-fluorene;ethane;1-[1,1,1,3,3,3-hexafluoro-2-(3-methylphenyl)propan-2-yl]-3-methylbenzene;1-methyl-3-(3-methylphenoxy)benzene;1-methyl-3-(3-methylphenyl)benzene;1-methyl-3-[2-(3-methylphenyl)propan-2-yl]benzene;1-methyl-3-(3-methylphenyl)sulfonylbenzene is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1cccc(-c2cccc(C)c2)c1.Cc1cccc(C(=O)c2cccc(C)c2)c1.Cc1cccc(C(C)(C)c2cccc(C)c2)c1.Cc1cccc(C(c2cccc(C)c2)(C(F)(F)F)C(F)(F)F)c1.Cc1cccc(C(c2cccc(C)c2)C2c3ccccc3-c3ccccc32)c1.Cc1cccc(Oc2cccc(C)c2)c1.Cc1cccc(S(=O)(=O)c2cccc(C)c2)c1.
What is the InChIKey of bis(3-methylphenyl)methanone;9-[bis(3-methylphenyl)methyl]-9H-fluorene;ethane;1-[1,1,1,3,3,3-hexafluoro-2-(3-methylphenyl)propan-2-yl]-3-methylbenzene;1-methyl-3-(3-methylphenoxy)benzene;1-methyl-3-(3-methylphenyl)benzene;1-methyl-3-[2-(3-methylphenyl)propan-2-yl]benzene;1-methyl-3-(3-methylphenyl)sulfonylbenzene?
The InChIKey is BWNNFJVEKVXTAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24.C17H14F6.C17H20.C15H14O.C14H14O2S.C14H14O.C14H14.14C2H6/c1-19-9-7-11-21(17-19)27(22-12-8-10-20(2)18-22)28-25-15-5-3-13-23(25)24-14-4-6-16-26(24)28;1-11-5-3-7-13(9-11)15(16(18,19)20,17(21,22)23)14-8-4-6-12(2)10-14;1-13-7-5-9-15(11-13)17(3,4)16-10-6-8-14(2)12-16;1-11-5-3-7-13(9-11)15(16)14-8-4-6-12(2)10-14;1-11-5-3-7-13(9-11)17(15,16)14-8-4-6-12(2)10-14;1-11-5-3-7-13(9-11)15-14-8-4-6-12(2)10-14;1-11-5-3-7-13(9-11)14-8-4-6-12(2)10-14;14*1-2/h3-18,27-28H,1-2H3;3-10H,1-2H3;5-12H,1-4H3;3-10H,1-2H3;3-10H,1-2H3;3-10H,1-2H3;3-10H,1-2H3;14*1-2H3.
What are the key properties of bis(3-methylphenyl)methanone;9-[bis(3-methylphenyl)methyl]-9H-fluorene;ethane;1-[1,1,1,3,3,3-hexafluoro-2-(3-methylphenyl)propan-2-yl]-3-methylbenzene;1-methyl-3-(3-methylphenoxy)benzene;1-methyl-3-(3-methylphenyl)benzene;1-methyl-3-[2-(3-methylphenyl)propan-2-yl]benzene;1-methyl-3-(3-methylphenyl)sulfonylbenzene?
bis(3-methylphenyl)methanone;9-[bis(3-methylphenyl)methyl]-9H-fluorene;ethane;1-[1,1,1,3,3,3-hexafluoro-2-(3-methylphenyl)propan-2-yl]-3-methylbenzene;1-methyl-3-(3-methylphenoxy)benzene;1-methyl-3-(3-methylphenyl)benzene;1-methyl-3-[2-(3-methylphenyl)propan-2-yl]benzene;1-methyl-3-(3-methylphenyl)sulfonylbenzene has a molecular weight of 2175.25 g/mol, XLogP of 46.69, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3-methylphenyl)methanone;9-[bis(3-methylphenyl)methyl]-9H-fluorene;ethane;1-[1,1,1,3,3,3-hexafluoro-2-(3-methylphenyl)propan-2-yl]-3-methylbenzene;1-methyl-3-(3-methylphenoxy)benzene;1-methyl-3-(3-methylphenyl)benzene;1-methyl-3-[2-(3-methylphenyl)propan-2-yl]benzene;1-methyl-3-(3-methylphenyl)sulfonylbenzene is sourced from PubChem (CID 157484379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).