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

C198H293F4N5 — CID 159995192

IUPAC1,4-bis[(4-methylphenyl)methyl]benzene;3,7-dimethylisoquinoline;2,6-dimethylnaphthalene;2,7-dimethylphenanthrene;3,7-dimethylquinoline;ethane;1-fluoro-4-methylbenzene;1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]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.CC.CC.Cc1ccc(-c2ccc(C)cc2)cc1.Cc1ccc(-c2ccc(C)cn2)cc1.Cc1ccc(-c2ncc(C)cn2)cc1.Cc1ccc(C(C)(C)c2ccc(C)cc2)cc1.Cc1ccc(C(F)(F)CF)cc1.Cc1ccc(C)cc1.Cc1ccc(Cc2ccc(Cc3ccc(C)cc3)cc2)cc1.Cc1ccc(F)cc1.Cc1ccc2c(ccc3cc(C)ccc32)c1.Cc1ccc2cc(C)ccc2c1.Cc1ccc2cc(C)ncc2c1.Cc1cnc2cc(C)ccc2c1
InChIInChI=1S/C22H22.C17H20.C16H14.C14H14.C13H13N.C12H12N2.C12H12.2C11H11N.C9H9F3.C8H10.C7H7F.23C2H6/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;1-13-5-9-15(10-6-13)17(3,4)16-11-7-14(2)8-12-16;1-11-3-7-15-13(9-11)5-6-14-10-12(2)4-8-16(14)15;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;23*1-2/h3-14H,15-16H2,1-2H3;5-12H,1-4H3;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;23*1-2H3
InChIKeyOHLLBWLMZRWRMC-UHFFFAOYSA-N
MW2819.55 g/mol
LogP65.08
Rot. Bonds11

About 1,4-bis[(4-methylphenyl)methyl]benzene;3,7-dimethylisoquinoline;2,6-dimethylnaphthalene;2,7-dimethylphenanthrene;3,7-dimethylquinoline;ethane;1-fluoro-4-methylbenzene;1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]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;3,7-dimethylisoquinoline;2,6-dimethylnaphthalene;2,7-dimethylphenanthrene;3,7-dimethylquinoline;ethane;1-fluoro-4-methylbenzene;1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]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 159995192) has the molecular formula C198H293F4N5 and a molecular weight of 2819.55 g/mol. Its IUPAC name is 1,4-bis[(4-methylphenyl)methyl]benzene;3,7-dimethylisoquinoline;2,6-dimethylnaphthalene;2,7-dimethylphenanthrene;3,7-dimethylquinoline;ethane;1-fluoro-4-methylbenzene;1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]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;3,7-dimethylisoquinoline;2,6-dimethylnaphthalene;2,7-dimethylphenanthrene;3,7-dimethylquinoline;ethane;1-fluoro-4-methylbenzene;1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]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 CID159995192
Molecular FormulaC198H293F4N5
Molecular Weight2819.55 g/mol
Exact Mass2817.30
IUPAC Name1,4-bis[(4-methylphenyl)methyl]benzene;3,7-dimethylisoquinoline;2,6-dimethylnaphthalene;2,7-dimethylphenanthrene;3,7-dimethylquinoline;ethane;1-fluoro-4-methylbenzene;1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]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.CC.CC.Cc1ccc(-c2ccc(C)cc2)cc1.Cc1ccc(-c2ccc(C)cn2)cc1.Cc1ccc(-c2ncc(C)cn2)cc1.Cc1ccc(C(C)(C)c2ccc(C)cc2)cc1.Cc1ccc(C(F)(F)CF)cc1.Cc1ccc(C)cc1.Cc1ccc(Cc2ccc(Cc3ccc(C)cc3)cc2)cc1.Cc1ccc(F)cc1.Cc1ccc2c(ccc3cc(C)ccc32)c1.Cc1ccc2cc(C)ccc2c1.Cc1ccc2cc(C)ncc2c1.Cc1cnc2cc(C)ccc2c1
InChIInChI=1S/C22H22.C17H20.C16H14.C14H14.C13H13N.C12H12N2.C12H12.2C11H11N.C9H9F3.C8H10.C7H7F.23C2H6/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;1-13-5-9-15(10-6-13)17(3,4)16-11-7-14(2)8-12-16;1-11-3-7-15-13(9-11)5-6-14-10-12(2)4-8-16(14)15;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;23*1-2/h3-14H,15-16H2,1-2H3;5-12H,1-4H3;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;23*1-2H3
InChIKeyOHLLBWLMZRWRMC-UHFFFAOYSA-N
XLogP65.08
TPSA64.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms207
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002819.55
LogP ≤ 565.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 1,4-bis[(4-methylphenyl)methyl]benzene;3,7-dimethylisoquinoline;2,6-dimethylnaphthalene;2,7-dimethylphenanthrene;3,7-dimethylquinoline;ethane;1-fluoro-4-methylbenzene;1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]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

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-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
2-(2-(4-methylpiperazin-1-yl)ethyl)-N-(4-(trifluoromethyl)phenyl)-7-(3-(trifluoromethyl)pyridin-2-yl)quinazolin-4-amine
CID 22030491
2-((4-methylpiperazin-1-yl)methyl)-N-(4-(trifluoromethyl)phenyl)-7-(3-(trifluoromethyl)pyridin-2-yl)quinazolin-4-amine
CID 23537063
4-(1-(7-Fluoro-3-methyl-2-(2-pyridinyl)-4-quinolinyl)-3,3-dimethyl-2,3-dihydro-1H-indol-6-yl)-6-methyl-2-pyrimidinamine
CID 50938829
4-(1-(7-Fluoro-3-methyl-2-(2-pyridinyl)-4-quinolinyl)-3,3-dimethyl-2,3-dihydro-1h-indol-6-yl)-2-pyrimidinamine
CID 50939081
5-phenyl-N-(pyridin-2-ylmethyl)-2-(pyrimidin-5-yl)quinazolin-4-amine
CID 51030636
5-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)-2-pyrimidin-5-ylquinazolin-4-amine
CID 51030641
N-(pyridin-2-ylmethyl)-2-pyrimidin-5-yl-5-[4-(trifluoromethyl)phenyl]quinazolin-4-amine
CID 51030643

Frequently Asked Questions

What is the IUPAC name of 1,4-bis[(4-methylphenyl)methyl]benzene;3,7-dimethylisoquinoline;2,6-dimethylnaphthalene;2,7-dimethylphenanthrene;3,7-dimethylquinoline;ethane;1-fluoro-4-methylbenzene;1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]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;3,7-dimethylisoquinoline;2,6-dimethylnaphthalene;2,7-dimethylphenanthrene;3,7-dimethylquinoline;ethane;1-fluoro-4-methylbenzene;1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]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 159995192) is 1,4-bis[(4-methylphenyl)methyl]benzene;3,7-dimethylisoquinoline;2,6-dimethylnaphthalene;2,7-dimethylphenanthrene;3,7-dimethylquinoline;ethane;1-fluoro-4-methylbenzene;1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]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;3,7-dimethylisoquinoline;2,6-dimethylnaphthalene;2,7-dimethylphenanthrene;3,7-dimethylquinoline;ethane;1-fluoro-4-methylbenzene;1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]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;3,7-dimethylisoquinoline;2,6-dimethylnaphthalene;2,7-dimethylphenanthrene;3,7-dimethylquinoline;ethane;1-fluoro-4-methylbenzene;1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]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.CC.CC.Cc1ccc(-c2ccc(C)cc2)cc1.Cc1ccc(-c2ccc(C)cn2)cc1.Cc1ccc(-c2ncc(C)cn2)cc1.Cc1ccc(C(C)(C)c2ccc(C)cc2)cc1.Cc1ccc(C(F)(F)CF)cc1.Cc1ccc(C)cc1.Cc1ccc(Cc2ccc(Cc3ccc(C)cc3)cc2)cc1.Cc1ccc(F)cc1.Cc1ccc2c(ccc3cc(C)ccc32)c1.Cc1ccc2cc(C)ccc2c1.Cc1ccc2cc(C)ncc2c1.Cc1cnc2cc(C)ccc2c1.
What is the InChIKey of 1,4-bis[(4-methylphenyl)methyl]benzene;3,7-dimethylisoquinoline;2,6-dimethylnaphthalene;2,7-dimethylphenanthrene;3,7-dimethylquinoline;ethane;1-fluoro-4-methylbenzene;1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]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 OHLLBWLMZRWRMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22.C17H20.C16H14.C14H14.C13H13N.C12H12N2.C12H12.2C11H11N.C9H9F3.C8H10.C7H7F.23C2H6/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;1-13-5-9-15(10-6-13)17(3,4)16-11-7-14(2)8-12-16;1-11-3-7-15-13(9-11)5-6-14-10-12(2)4-8-16(14)15;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;23*1-2/h3-14H,15-16H2,1-2H3;5-12H,1-4H3;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;23*1-2H3.
What are the key properties of 1,4-bis[(4-methylphenyl)methyl]benzene;3,7-dimethylisoquinoline;2,6-dimethylnaphthalene;2,7-dimethylphenanthrene;3,7-dimethylquinoline;ethane;1-fluoro-4-methylbenzene;1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]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;3,7-dimethylisoquinoline;2,6-dimethylnaphthalene;2,7-dimethylphenanthrene;3,7-dimethylquinoline;ethane;1-fluoro-4-methylbenzene;1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]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 2819.55 g/mol, XLogP of 65.08, 11 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;3,7-dimethylisoquinoline;2,6-dimethylnaphthalene;2,7-dimethylphenanthrene;3,7-dimethylquinoline;ethane;1-fluoro-4-methylbenzene;1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]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 159995192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).