1,4-bis[(4-methylphenyl)methyl]benzene;2,6-dimethylanthracene;3,7-dimethylisoquinoline;2,6-dimethylnaphthalene;3,7-dimethylquinoline;ethane;1-fluoro-4-methylbenzene;1-methyl-4-(4-methylphenyl)benzene;5-methyl-2-(4-methylphenyl)pyridine;5-methyl-2-(4-methylphenyl)pyrimidine;1-methyl-4-(1,1,2-trifluoroethyl)benzene;1,4-xylene

C177H261F4N5 — CID 159882727

IUPAC1,4-bis[(4-methylphenyl)methyl]benzene;2,6-dimethylanthracene;3,7-dimethylisoquinoline;2,6-dimethylnaphthalene;3,7-dimethylquinoline;ethane;1-fluoro-4-methylbenzene;1-methyl-4-(4-methylphenyl)benzene;5-methyl-2-(4-methylphenyl)pyridine;5-methyl-2-(4-methylphenyl)pyrimidine;1-methyl-4-(1,1,2-trifluoroethyl)benzene;1,4-xylene
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1ccc(-c2ccc(C)cc2)cc1.Cc1ccc(-c2ccc(C)cn2)cc1.Cc1ccc(-c2ncc(C)cn2)cc1.Cc1ccc(C(F)(F)CF)cc1.Cc1ccc(C)cc1.Cc1ccc(Cc2ccc(Cc3ccc(C)cc3)cc2)cc1.Cc1ccc(F)cc1.Cc1ccc2cc(C)ccc2c1.Cc1ccc2cc(C)ncc2c1.Cc1ccc2cc3cc(C)ccc3cc2c1.Cc1cnc2cc(C)ccc2c1
InChIInChI=1S/C22H22.C16H14.C14H14.C13H13N.C12H12N2.C12H12.2C11H11N.C9H9F3.C8H10.C7H7F.21C2H6/c1-17-3-7-19(8-4-17)15-21-11-13-22(14-12-21)16-20-9-5-18(2)6-10-20;1-11-3-5-13-10-16-8-12(2)4-6-14(16)9-15(13)7-11;1-11-3-7-13(8-4-11)14-9-5-12(2)6-10-14;1-10-3-6-12(7-4-10)13-8-5-11(2)9-14-13;1-9-3-5-11(6-4-9)12-13-7-10(2)8-14-12;1-9-3-5-12-8-10(2)4-6-11(12)7-9;1-8-3-4-10-5-9(2)7-12-11(10)6-8;1-8-3-4-10-6-9(2)12-7-11(10)5-8;1-7-2-4-8(5-3-7)9(11,12)6-10;1-7-3-5-8(2)6-4-7;1-6-2-4-7(8)5-3-6;21*1-2/h3-14H,15-16H2,1-2H3;3-10H,1-2H3;3-10H,1-2H3;3-9H,1-2H3;3-8H,1-2H3;3-8H,1-2H3;2*3-7H,1-2H3;2-5H,6H2,1H3;3-6H,1-2H3;2-5H,1H3;21*1-2H3
InChIKeyNTSQJELOCYHINE-UHFFFAOYSA-N
MW2535.06 g/mol
LogP58.40
Rot. Bonds9

About 1,4-bis[(4-methylphenyl)methyl]benzene;2,6-dimethylanthracene;3,7-dimethylisoquinoline;2,6-dimethylnaphthalene;3,7-dimethylquinoline;ethane;1-fluoro-4-methylbenzene;1-methyl-4-(4-methylphenyl)benzene;5-methyl-2-(4-methylphenyl)pyridine;5-methyl-2-(4-methylphenyl)pyrimidine;1-methyl-4-(1,1,2-trifluoroethyl)benzene;1,4-xylene

1,4-bis[(4-methylphenyl)methyl]benzene;2,6-dimethylanthracene;3,7-dimethylisoquinoline;2,6-dimethylnaphthalene;3,7-dimethylquinoline;ethane;1-fluoro-4-methylbenzene;1-methyl-4-(4-methylphenyl)benzene;5-methyl-2-(4-methylphenyl)pyridine;5-methyl-2-(4-methylphenyl)pyrimidine;1-methyl-4-(1,1,2-trifluoroethyl)benzene;1,4-xylene (PubChem CID 159882727) has the molecular formula C177H261F4N5 and a molecular weight of 2535.06 g/mol. Its IUPAC name is 1,4-bis[(4-methylphenyl)methyl]benzene;2,6-dimethylanthracene;3,7-dimethylisoquinoline;2,6-dimethylnaphthalene;3,7-dimethylquinoline;ethane;1-fluoro-4-methylbenzene;1-methyl-4-(4-methylphenyl)benzene;5-methyl-2-(4-methylphenyl)pyridine;5-methyl-2-(4-methylphenyl)pyrimidine;1-methyl-4-(1,1,2-trifluoroethyl)benzene;1,4-xylene.

Molecular Properties

Compound Name1,4-bis[(4-methylphenyl)methyl]benzene;2,6-dimethylanthracene;3,7-dimethylisoquinoline;2,6-dimethylnaphthalene;3,7-dimethylquinoline;ethane;1-fluoro-4-methylbenzene;1-methyl-4-(4-methylphenyl)benzene;5-methyl-2-(4-methylphenyl)pyridine;5-methyl-2-(4-methylphenyl)pyrimidine;1-methyl-4-(1,1,2-trifluoroethyl)benzene;1,4-xylene
PubChem CID159882727
Molecular FormulaC177H261F4N5
Molecular Weight2535.06 g/mol
Exact Mass2533.05
IUPAC Name1,4-bis[(4-methylphenyl)methyl]benzene;2,6-dimethylanthracene;3,7-dimethylisoquinoline;2,6-dimethylnaphthalene;3,7-dimethylquinoline;ethane;1-fluoro-4-methylbenzene;1-methyl-4-(4-methylphenyl)benzene;5-methyl-2-(4-methylphenyl)pyridine;5-methyl-2-(4-methylphenyl)pyrimidine;1-methyl-4-(1,1,2-trifluoroethyl)benzene;1,4-xylene
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1ccc(-c2ccc(C)cc2)cc1.Cc1ccc(-c2ccc(C)cn2)cc1.Cc1ccc(-c2ncc(C)cn2)cc1.Cc1ccc(C(F)(F)CF)cc1.Cc1ccc(C)cc1.Cc1ccc(Cc2ccc(Cc3ccc(C)cc3)cc2)cc1.Cc1ccc(F)cc1.Cc1ccc2cc(C)ccc2c1.Cc1ccc2cc(C)ncc2c1.Cc1ccc2cc3cc(C)ccc3cc2c1.Cc1cnc2cc(C)ccc2c1
InChIInChI=1S/C22H22.C16H14.C14H14.C13H13N.C12H12N2.C12H12.2C11H11N.C9H9F3.C8H10.C7H7F.21C2H6/c1-17-3-7-19(8-4-17)15-21-11-13-22(14-12-21)16-20-9-5-18(2)6-10-20;1-11-3-5-13-10-16-8-12(2)4-6-14(16)9-15(13)7-11;1-11-3-7-13(8-4-11)14-9-5-12(2)6-10-14;1-10-3-6-12(7-4-10)13-8-5-11(2)9-14-13;1-9-3-5-11(6-4-9)12-13-7-10(2)8-14-12;1-9-3-5-12-8-10(2)4-6-11(12)7-9;1-8-3-4-10-5-9(2)7-12-11(10)6-8;1-8-3-4-10-6-9(2)12-7-11(10)5-8;1-7-2-4-8(5-3-7)9(11,12)6-10;1-7-3-5-8(2)6-4-7;1-6-2-4-7(8)5-3-6;21*1-2/h3-14H,15-16H2,1-2H3;3-10H,1-2H3;3-10H,1-2H3;3-9H,1-2H3;3-8H,1-2H3;3-8H,1-2H3;2*3-7H,1-2H3;2-5H,6H2,1H3;3-6H,1-2H3;2-5H,1H3;21*1-2H3
InChIKeyNTSQJELOCYHINE-UHFFFAOYSA-N
XLogP58.40
TPSA64.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms186
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002535.06
LogP ≤ 558.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1,4-bis[(4-methylphenyl)methyl]benzene;2,6-dimethylanthracene;3,7-dimethylisoquinoline;2,6-dimethylnaphthalene;3,7-dimethylquinoline;ethane;1-fluoro-4-methylbenzene;1-methyl-4-(4-methylphenyl)benzene;5-methyl-2-(4-methylphenyl)pyridine;5-methyl-2-(4-methylphenyl)pyrimidine;1-methyl-4-(1,1,2-trifluoroethyl)benzene;1,4-xylene with MolForge

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Related Compounds

Ngd-8243
CID 11247522
6-Methyl-N5-(3-(pyrimidin-4-yl)pyridin-2-yl)-N1-(3-(trifluoromethyl)phenyl)isoquinoline-1,5-diamine
CID 16214904
Aminoisoquinoline, 15
CID 24863584
5-Methyl-6-[(pyren-1-ylamino)methyl]pyrido[2,3-d]pyrimidine-2,4-diamine
CID 472845
(5-Trifluoromethylpyridin-2-yl)-[7-(3-trifluoromethylpyridin-2-yl)quinazolin-4-yl]amine
CID 10238224
2-methyl-N-(4-(trifluoromethyl)phenyl)-7-(3-(trifluoromethyl)pyridin-2-yl)quinazolin-4-amine
CID 10238413
N-naphthalen-1-yl-2-pyridin-4-ylquinazolin-4-amine
CID 921313
3-Phenylbenzo[f]quinazoline
CID 781070
7-(3-(trifluoromethyl)pyridin-2-yl)-N-(6-(trifluoromethyl)pyridin-3-yl)quinazolin-4-amine
CID 10127277
2-((4-cyclopentylpiperazin-1-yl)methyl)-N-(4-(trifluoromethyl)phenyl)-7-(3-(trifluoromethyl)pyridin-2-yl)quinazolin-4-amine
CID 10312273
2-((diethylamino)methyl)-N-(4-(trifluoromethyl)phenyl)-7-(3-(trifluoromethyl)pyridin-2-yl)quinazolin-4-amine
CID 22030158
2-((cyclohexylamino)methyl)-N-(4-(trifluoromethyl)phenyl)-7-(3-(trifluoromethyl)pyridin-2-yl)quinazolin-4-amine
CID 22030183

Frequently Asked Questions

What is the IUPAC name of 1,4-bis[(4-methylphenyl)methyl]benzene;2,6-dimethylanthracene;3,7-dimethylisoquinoline;2,6-dimethylnaphthalene;3,7-dimethylquinoline;ethane;1-fluoro-4-methylbenzene;1-methyl-4-(4-methylphenyl)benzene;5-methyl-2-(4-methylphenyl)pyridine;5-methyl-2-(4-methylphenyl)pyrimidine;1-methyl-4-(1,1,2-trifluoroethyl)benzene;1,4-xylene?
The IUPAC name of 1,4-bis[(4-methylphenyl)methyl]benzene;2,6-dimethylanthracene;3,7-dimethylisoquinoline;2,6-dimethylnaphthalene;3,7-dimethylquinoline;ethane;1-fluoro-4-methylbenzene;1-methyl-4-(4-methylphenyl)benzene;5-methyl-2-(4-methylphenyl)pyridine;5-methyl-2-(4-methylphenyl)pyrimidine;1-methyl-4-(1,1,2-trifluoroethyl)benzene;1,4-xylene (CID 159882727) is 1,4-bis[(4-methylphenyl)methyl]benzene;2,6-dimethylanthracene;3,7-dimethylisoquinoline;2,6-dimethylnaphthalene;3,7-dimethylquinoline;ethane;1-fluoro-4-methylbenzene;1-methyl-4-(4-methylphenyl)benzene;5-methyl-2-(4-methylphenyl)pyridine;5-methyl-2-(4-methylphenyl)pyrimidine;1-methyl-4-(1,1,2-trifluoroethyl)benzene;1,4-xylene.
What is the SMILES notation for 1,4-bis[(4-methylphenyl)methyl]benzene;2,6-dimethylanthracene;3,7-dimethylisoquinoline;2,6-dimethylnaphthalene;3,7-dimethylquinoline;ethane;1-fluoro-4-methylbenzene;1-methyl-4-(4-methylphenyl)benzene;5-methyl-2-(4-methylphenyl)pyridine;5-methyl-2-(4-methylphenyl)pyrimidine;1-methyl-4-(1,1,2-trifluoroethyl)benzene;1,4-xylene?
The canonical SMILES for 1,4-bis[(4-methylphenyl)methyl]benzene;2,6-dimethylanthracene;3,7-dimethylisoquinoline;2,6-dimethylnaphthalene;3,7-dimethylquinoline;ethane;1-fluoro-4-methylbenzene;1-methyl-4-(4-methylphenyl)benzene;5-methyl-2-(4-methylphenyl)pyridine;5-methyl-2-(4-methylphenyl)pyrimidine;1-methyl-4-(1,1,2-trifluoroethyl)benzene;1,4-xylene is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1ccc(-c2ccc(C)cc2)cc1.Cc1ccc(-c2ccc(C)cn2)cc1.Cc1ccc(-c2ncc(C)cn2)cc1.Cc1ccc(C(F)(F)CF)cc1.Cc1ccc(C)cc1.Cc1ccc(Cc2ccc(Cc3ccc(C)cc3)cc2)cc1.Cc1ccc(F)cc1.Cc1ccc2cc(C)ccc2c1.Cc1ccc2cc(C)ncc2c1.Cc1ccc2cc3cc(C)ccc3cc2c1.Cc1cnc2cc(C)ccc2c1.
What is the InChIKey of 1,4-bis[(4-methylphenyl)methyl]benzene;2,6-dimethylanthracene;3,7-dimethylisoquinoline;2,6-dimethylnaphthalene;3,7-dimethylquinoline;ethane;1-fluoro-4-methylbenzene;1-methyl-4-(4-methylphenyl)benzene;5-methyl-2-(4-methylphenyl)pyridine;5-methyl-2-(4-methylphenyl)pyrimidine;1-methyl-4-(1,1,2-trifluoroethyl)benzene;1,4-xylene?
The InChIKey is NTSQJELOCYHINE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22.C16H14.C14H14.C13H13N.C12H12N2.C12H12.2C11H11N.C9H9F3.C8H10.C7H7F.21C2H6/c1-17-3-7-19(8-4-17)15-21-11-13-22(14-12-21)16-20-9-5-18(2)6-10-20;1-11-3-5-13-10-16-8-12(2)4-6-14(16)9-15(13)7-11;1-11-3-7-13(8-4-11)14-9-5-12(2)6-10-14;1-10-3-6-12(7-4-10)13-8-5-11(2)9-14-13;1-9-3-5-11(6-4-9)12-13-7-10(2)8-14-12;1-9-3-5-12-8-10(2)4-6-11(12)7-9;1-8-3-4-10-5-9(2)7-12-11(10)6-8;1-8-3-4-10-6-9(2)12-7-11(10)5-8;1-7-2-4-8(5-3-7)9(11,12)6-10;1-7-3-5-8(2)6-4-7;1-6-2-4-7(8)5-3-6;21*1-2/h3-14H,15-16H2,1-2H3;3-10H,1-2H3;3-10H,1-2H3;3-9H,1-2H3;3-8H,1-2H3;3-8H,1-2H3;2*3-7H,1-2H3;2-5H,6H2,1H3;3-6H,1-2H3;2-5H,1H3;21*1-2H3.
What are the key properties of 1,4-bis[(4-methylphenyl)methyl]benzene;2,6-dimethylanthracene;3,7-dimethylisoquinoline;2,6-dimethylnaphthalene;3,7-dimethylquinoline;ethane;1-fluoro-4-methylbenzene;1-methyl-4-(4-methylphenyl)benzene;5-methyl-2-(4-methylphenyl)pyridine;5-methyl-2-(4-methylphenyl)pyrimidine;1-methyl-4-(1,1,2-trifluoroethyl)benzene;1,4-xylene?
1,4-bis[(4-methylphenyl)methyl]benzene;2,6-dimethylanthracene;3,7-dimethylisoquinoline;2,6-dimethylnaphthalene;3,7-dimethylquinoline;ethane;1-fluoro-4-methylbenzene;1-methyl-4-(4-methylphenyl)benzene;5-methyl-2-(4-methylphenyl)pyridine;5-methyl-2-(4-methylphenyl)pyrimidine;1-methyl-4-(1,1,2-trifluoroethyl)benzene;1,4-xylene has a molecular weight of 2535.06 g/mol, XLogP of 58.40, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis[(4-methylphenyl)methyl]benzene;2,6-dimethylanthracene;3,7-dimethylisoquinoline;2,6-dimethylnaphthalene;3,7-dimethylquinoline;ethane;1-fluoro-4-methylbenzene;1-methyl-4-(4-methylphenyl)benzene;5-methyl-2-(4-methylphenyl)pyridine;5-methyl-2-(4-methylphenyl)pyrimidine;1-methyl-4-(1,1,2-trifluoroethyl)benzene;1,4-xylene is sourced from PubChem (CID 159882727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).