1,4-bis[(4-ethylphenyl)methyl]benzene;1,4-diethylbenzene;3,7-diethylisoquinoline;2,6-diethylnaphthalene;2,7-diethylphenanthrene;3,7-diethylquinoline;ethane;1-ethyl-4-(4-ethylphenyl)benzene;1-ethyl-4-[2-(4-ethylphenyl)propan-2-yl]benzene;5-ethyl-2-(4-ethylphenyl)pyridine;5-ethyl-2-(4-ethylphenyl)pyrimidine;1-ethyl-4-fluorobenzene;1-ethyl-4-(1,1,2-trifluoroethyl)benzene

C220H337F4N5 — CID 158358515

IUPAC1,4-bis[(4-ethylphenyl)methyl]benzene;1,4-diethylbenzene;3,7-diethylisoquinoline;2,6-diethylnaphthalene;2,7-diethylphenanthrene;3,7-diethylquinoline;ethane;1-ethyl-4-(4-ethylphenyl)benzene;1-ethyl-4-[2-(4-ethylphenyl)propan-2-yl]benzene;5-ethyl-2-(4-ethylphenyl)pyridine;5-ethyl-2-(4-ethylphenyl)pyrimidine;1-ethyl-4-fluorobenzene;1-ethyl-4-(1,1,2-trifluoroethyl)benzene
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CCc1ccc(-c2ccc(CC)cc2)cc1.CCc1ccc(-c2ccc(CC)cn2)cc1.CCc1ccc(-c2ncc(CC)cn2)cc1.CCc1ccc(C(C)(C)c2ccc(CC)cc2)cc1.CCc1ccc(C(F)(F)CF)cc1.CCc1ccc(CC)cc1.CCc1ccc(Cc2ccc(Cc3ccc(CC)cc3)cc2)cc1.CCc1ccc(F)cc1.CCc1ccc2c(ccc3cc(CC)ccc32)c1.CCc1ccc2cc(CC)ccc2c1.CCc1ccc2cc(CC)ncc2c1.CCc1cnc2cc(CC)ccc2c1
InChIInChI=1S/C24H26.C19H24.C18H18.C16H18.C15H17N.C14H16N2.C14H16.2C13H15N.C10H11F3.C10H14.C8H9F.23C2H6/c1-3-19-5-9-21(10-6-19)17-23-13-15-24(16-14-23)18-22-11-7-20(4-2)8-12-22;1-5-15-7-11-17(12-8-15)19(3,4)18-13-9-16(6-2)10-14-18;1-3-13-5-9-17-15(11-13)7-8-16-12-14(4-2)6-10-18(16)17;1-3-13-5-9-15(10-6-13)16-11-7-14(4-2)8-12-16;1-3-12-5-8-14(9-6-12)15-10-7-13(4-2)11-16-15;1-3-11-5-7-13(8-6-11)14-15-9-12(4-2)10-16-14;1-3-11-5-7-14-10-12(4-2)6-8-13(14)9-11;1-3-10-5-6-12-7-11(4-2)9-14-13(12)8-10;1-3-10-5-6-11-8-13(4-2)14-9-12(11)7-10;1-2-8-3-5-9(6-4-8)10(12,13)7-11;1-3-9-5-7-10(4-2)8-6-9;1-2-7-3-5-8(9)6-4-7;23*1-2/h5-16H,3-4,17-18H2,1-2H3;7-14H,5-6H2,1-4H3;5-12H,3-4H2,1-2H3;5-12H,3-4H2,1-2H3;5-11H,3-4H2,1-2H3;5-10H,3-4H2,1-2H3;5-10H,3-4H2,1-2H3;2*5-9H,3-4H2,1-2H3;3-6H,2,7H2,1H3;5-8H,3-4H2,1-2H3;3-6H,2H2,1H3;23*1-2H3
InChIKeyGTEHDXOKLQMMEN-UHFFFAOYSA-N
MW3128.14 g/mol
LogP70.66
Rot. Bonds33

About 1,4-bis[(4-ethylphenyl)methyl]benzene;1,4-diethylbenzene;3,7-diethylisoquinoline;2,6-diethylnaphthalene;2,7-diethylphenanthrene;3,7-diethylquinoline;ethane;1-ethyl-4-(4-ethylphenyl)benzene;1-ethyl-4-[2-(4-ethylphenyl)propan-2-yl]benzene;5-ethyl-2-(4-ethylphenyl)pyridine;5-ethyl-2-(4-ethylphenyl)pyrimidine;1-ethyl-4-fluorobenzene;1-ethyl-4-(1,1,2-trifluoroethyl)benzene

1,4-bis[(4-ethylphenyl)methyl]benzene;1,4-diethylbenzene;3,7-diethylisoquinoline;2,6-diethylnaphthalene;2,7-diethylphenanthrene;3,7-diethylquinoline;ethane;1-ethyl-4-(4-ethylphenyl)benzene;1-ethyl-4-[2-(4-ethylphenyl)propan-2-yl]benzene;5-ethyl-2-(4-ethylphenyl)pyridine;5-ethyl-2-(4-ethylphenyl)pyrimidine;1-ethyl-4-fluorobenzene;1-ethyl-4-(1,1,2-trifluoroethyl)benzene (PubChem CID 158358515) has the molecular formula C220H337F4N5 and a molecular weight of 3128.14 g/mol. Its IUPAC name is 1,4-bis[(4-ethylphenyl)methyl]benzene;1,4-diethylbenzene;3,7-diethylisoquinoline;2,6-diethylnaphthalene;2,7-diethylphenanthrene;3,7-diethylquinoline;ethane;1-ethyl-4-(4-ethylphenyl)benzene;1-ethyl-4-[2-(4-ethylphenyl)propan-2-yl]benzene;5-ethyl-2-(4-ethylphenyl)pyridine;5-ethyl-2-(4-ethylphenyl)pyrimidine;1-ethyl-4-fluorobenzene;1-ethyl-4-(1,1,2-trifluoroethyl)benzene.

Molecular Properties

Compound Name1,4-bis[(4-ethylphenyl)methyl]benzene;1,4-diethylbenzene;3,7-diethylisoquinoline;2,6-diethylnaphthalene;2,7-diethylphenanthrene;3,7-diethylquinoline;ethane;1-ethyl-4-(4-ethylphenyl)benzene;1-ethyl-4-[2-(4-ethylphenyl)propan-2-yl]benzene;5-ethyl-2-(4-ethylphenyl)pyridine;5-ethyl-2-(4-ethylphenyl)pyrimidine;1-ethyl-4-fluorobenzene;1-ethyl-4-(1,1,2-trifluoroethyl)benzene
PubChem CID158358515
Molecular FormulaC220H337F4N5
Molecular Weight3128.14 g/mol
Exact Mass3125.65
IUPAC Name1,4-bis[(4-ethylphenyl)methyl]benzene;1,4-diethylbenzene;3,7-diethylisoquinoline;2,6-diethylnaphthalene;2,7-diethylphenanthrene;3,7-diethylquinoline;ethane;1-ethyl-4-(4-ethylphenyl)benzene;1-ethyl-4-[2-(4-ethylphenyl)propan-2-yl]benzene;5-ethyl-2-(4-ethylphenyl)pyridine;5-ethyl-2-(4-ethylphenyl)pyrimidine;1-ethyl-4-fluorobenzene;1-ethyl-4-(1,1,2-trifluoroethyl)benzene
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CCc1ccc(-c2ccc(CC)cc2)cc1.CCc1ccc(-c2ccc(CC)cn2)cc1.CCc1ccc(-c2ncc(CC)cn2)cc1.CCc1ccc(C(C)(C)c2ccc(CC)cc2)cc1.CCc1ccc(C(F)(F)CF)cc1.CCc1ccc(CC)cc1.CCc1ccc(Cc2ccc(Cc3ccc(CC)cc3)cc2)cc1.CCc1ccc(F)cc1.CCc1ccc2c(ccc3cc(CC)ccc32)c1.CCc1ccc2cc(CC)ccc2c1.CCc1ccc2cc(CC)ncc2c1.CCc1cnc2cc(CC)ccc2c1
InChIInChI=1S/C24H26.C19H24.C18H18.C16H18.C15H17N.C14H16N2.C14H16.2C13H15N.C10H11F3.C10H14.C8H9F.23C2H6/c1-3-19-5-9-21(10-6-19)17-23-13-15-24(16-14-23)18-22-11-7-20(4-2)8-12-22;1-5-15-7-11-17(12-8-15)19(3,4)18-13-9-16(6-2)10-14-18;1-3-13-5-9-17-15(11-13)7-8-16-12-14(4-2)6-10-18(16)17;1-3-13-5-9-15(10-6-13)16-11-7-14(4-2)8-12-16;1-3-12-5-8-14(9-6-12)15-10-7-13(4-2)11-16-15;1-3-11-5-7-13(8-6-11)14-15-9-12(4-2)10-16-14;1-3-11-5-7-14-10-12(4-2)6-8-13(14)9-11;1-3-10-5-6-12-7-11(4-2)9-14-13(12)8-10;1-3-10-5-6-11-8-13(4-2)14-9-12(11)7-10;1-2-8-3-5-9(6-4-8)10(12,13)7-11;1-3-9-5-7-10(4-2)8-6-9;1-2-7-3-5-8(9)6-4-7;23*1-2/h5-16H,3-4,17-18H2,1-2H3;7-14H,5-6H2,1-4H3;5-12H,3-4H2,1-2H3;5-12H,3-4H2,1-2H3;5-11H,3-4H2,1-2H3;5-10H,3-4H2,1-2H3;5-10H,3-4H2,1-2H3;2*5-9H,3-4H2,1-2H3;3-6H,2,7H2,1H3;5-8H,3-4H2,1-2H3;3-6H,2H2,1H3;23*1-2H3
InChIKeyGTEHDXOKLQMMEN-UHFFFAOYSA-N
XLogP70.66
TPSA64.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds33
Heavy Atoms229
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003128.14
LogP ≤ 570.66
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-ethylphenyl)methyl]benzene;1,4-diethylbenzene;3,7-diethylisoquinoline;2,6-diethylnaphthalene;2,7-diethylphenanthrene;3,7-diethylquinoline;ethane;1-ethyl-4-(4-ethylphenyl)benzene;1-ethyl-4-[2-(4-ethylphenyl)propan-2-yl]benzene;5-ethyl-2-(4-ethylphenyl)pyridine;5-ethyl-2-(4-ethylphenyl)pyrimidine;1-ethyl-4-fluorobenzene;1-ethyl-4-(1,1,2-trifluoroethyl)benzene 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-ethylphenyl)methyl]benzene;1,4-diethylbenzene;3,7-diethylisoquinoline;2,6-diethylnaphthalene;2,7-diethylphenanthrene;3,7-diethylquinoline;ethane;1-ethyl-4-(4-ethylphenyl)benzene;1-ethyl-4-[2-(4-ethylphenyl)propan-2-yl]benzene;5-ethyl-2-(4-ethylphenyl)pyridine;5-ethyl-2-(4-ethylphenyl)pyrimidine;1-ethyl-4-fluorobenzene;1-ethyl-4-(1,1,2-trifluoroethyl)benzene?
The IUPAC name of 1,4-bis[(4-ethylphenyl)methyl]benzene;1,4-diethylbenzene;3,7-diethylisoquinoline;2,6-diethylnaphthalene;2,7-diethylphenanthrene;3,7-diethylquinoline;ethane;1-ethyl-4-(4-ethylphenyl)benzene;1-ethyl-4-[2-(4-ethylphenyl)propan-2-yl]benzene;5-ethyl-2-(4-ethylphenyl)pyridine;5-ethyl-2-(4-ethylphenyl)pyrimidine;1-ethyl-4-fluorobenzene;1-ethyl-4-(1,1,2-trifluoroethyl)benzene (CID 158358515) is 1,4-bis[(4-ethylphenyl)methyl]benzene;1,4-diethylbenzene;3,7-diethylisoquinoline;2,6-diethylnaphthalene;2,7-diethylphenanthrene;3,7-diethylquinoline;ethane;1-ethyl-4-(4-ethylphenyl)benzene;1-ethyl-4-[2-(4-ethylphenyl)propan-2-yl]benzene;5-ethyl-2-(4-ethylphenyl)pyridine;5-ethyl-2-(4-ethylphenyl)pyrimidine;1-ethyl-4-fluorobenzene;1-ethyl-4-(1,1,2-trifluoroethyl)benzene.
What is the SMILES notation for 1,4-bis[(4-ethylphenyl)methyl]benzene;1,4-diethylbenzene;3,7-diethylisoquinoline;2,6-diethylnaphthalene;2,7-diethylphenanthrene;3,7-diethylquinoline;ethane;1-ethyl-4-(4-ethylphenyl)benzene;1-ethyl-4-[2-(4-ethylphenyl)propan-2-yl]benzene;5-ethyl-2-(4-ethylphenyl)pyridine;5-ethyl-2-(4-ethylphenyl)pyrimidine;1-ethyl-4-fluorobenzene;1-ethyl-4-(1,1,2-trifluoroethyl)benzene?
The canonical SMILES for 1,4-bis[(4-ethylphenyl)methyl]benzene;1,4-diethylbenzene;3,7-diethylisoquinoline;2,6-diethylnaphthalene;2,7-diethylphenanthrene;3,7-diethylquinoline;ethane;1-ethyl-4-(4-ethylphenyl)benzene;1-ethyl-4-[2-(4-ethylphenyl)propan-2-yl]benzene;5-ethyl-2-(4-ethylphenyl)pyridine;5-ethyl-2-(4-ethylphenyl)pyrimidine;1-ethyl-4-fluorobenzene;1-ethyl-4-(1,1,2-trifluoroethyl)benzene is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CCc1ccc(-c2ccc(CC)cc2)cc1.CCc1ccc(-c2ccc(CC)cn2)cc1.CCc1ccc(-c2ncc(CC)cn2)cc1.CCc1ccc(C(C)(C)c2ccc(CC)cc2)cc1.CCc1ccc(C(F)(F)CF)cc1.CCc1ccc(CC)cc1.CCc1ccc(Cc2ccc(Cc3ccc(CC)cc3)cc2)cc1.CCc1ccc(F)cc1.CCc1ccc2c(ccc3cc(CC)ccc32)c1.CCc1ccc2cc(CC)ccc2c1.CCc1ccc2cc(CC)ncc2c1.CCc1cnc2cc(CC)ccc2c1.
What is the InChIKey of 1,4-bis[(4-ethylphenyl)methyl]benzene;1,4-diethylbenzene;3,7-diethylisoquinoline;2,6-diethylnaphthalene;2,7-diethylphenanthrene;3,7-diethylquinoline;ethane;1-ethyl-4-(4-ethylphenyl)benzene;1-ethyl-4-[2-(4-ethylphenyl)propan-2-yl]benzene;5-ethyl-2-(4-ethylphenyl)pyridine;5-ethyl-2-(4-ethylphenyl)pyrimidine;1-ethyl-4-fluorobenzene;1-ethyl-4-(1,1,2-trifluoroethyl)benzene?
The InChIKey is GTEHDXOKLQMMEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26.C19H24.C18H18.C16H18.C15H17N.C14H16N2.C14H16.2C13H15N.C10H11F3.C10H14.C8H9F.23C2H6/c1-3-19-5-9-21(10-6-19)17-23-13-15-24(16-14-23)18-22-11-7-20(4-2)8-12-22;1-5-15-7-11-17(12-8-15)19(3,4)18-13-9-16(6-2)10-14-18;1-3-13-5-9-17-15(11-13)7-8-16-12-14(4-2)6-10-18(16)17;1-3-13-5-9-15(10-6-13)16-11-7-14(4-2)8-12-16;1-3-12-5-8-14(9-6-12)15-10-7-13(4-2)11-16-15;1-3-11-5-7-13(8-6-11)14-15-9-12(4-2)10-16-14;1-3-11-5-7-14-10-12(4-2)6-8-13(14)9-11;1-3-10-5-6-12-7-11(4-2)9-14-13(12)8-10;1-3-10-5-6-11-8-13(4-2)14-9-12(11)7-10;1-2-8-3-5-9(6-4-8)10(12,13)7-11;1-3-9-5-7-10(4-2)8-6-9;1-2-7-3-5-8(9)6-4-7;23*1-2/h5-16H,3-4,17-18H2,1-2H3;7-14H,5-6H2,1-4H3;5-12H,3-4H2,1-2H3;5-12H,3-4H2,1-2H3;5-11H,3-4H2,1-2H3;5-10H,3-4H2,1-2H3;5-10H,3-4H2,1-2H3;2*5-9H,3-4H2,1-2H3;3-6H,2,7H2,1H3;5-8H,3-4H2,1-2H3;3-6H,2H2,1H3;23*1-2H3.
What are the key properties of 1,4-bis[(4-ethylphenyl)methyl]benzene;1,4-diethylbenzene;3,7-diethylisoquinoline;2,6-diethylnaphthalene;2,7-diethylphenanthrene;3,7-diethylquinoline;ethane;1-ethyl-4-(4-ethylphenyl)benzene;1-ethyl-4-[2-(4-ethylphenyl)propan-2-yl]benzene;5-ethyl-2-(4-ethylphenyl)pyridine;5-ethyl-2-(4-ethylphenyl)pyrimidine;1-ethyl-4-fluorobenzene;1-ethyl-4-(1,1,2-trifluoroethyl)benzene?
1,4-bis[(4-ethylphenyl)methyl]benzene;1,4-diethylbenzene;3,7-diethylisoquinoline;2,6-diethylnaphthalene;2,7-diethylphenanthrene;3,7-diethylquinoline;ethane;1-ethyl-4-(4-ethylphenyl)benzene;1-ethyl-4-[2-(4-ethylphenyl)propan-2-yl]benzene;5-ethyl-2-(4-ethylphenyl)pyridine;5-ethyl-2-(4-ethylphenyl)pyrimidine;1-ethyl-4-fluorobenzene;1-ethyl-4-(1,1,2-trifluoroethyl)benzene has a molecular weight of 3128.14 g/mol, XLogP of 70.66, 33 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis[(4-ethylphenyl)methyl]benzene;1,4-diethylbenzene;3,7-diethylisoquinoline;2,6-diethylnaphthalene;2,7-diethylphenanthrene;3,7-diethylquinoline;ethane;1-ethyl-4-(4-ethylphenyl)benzene;1-ethyl-4-[2-(4-ethylphenyl)propan-2-yl]benzene;5-ethyl-2-(4-ethylphenyl)pyridine;5-ethyl-2-(4-ethylphenyl)pyrimidine;1-ethyl-4-fluorobenzene;1-ethyl-4-(1,1,2-trifluoroethyl)benzene is sourced from PubChem (CID 158358515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).