bis(tert-butylbenzene);bis(4-tert-butyl-1,2-difluorobenzene);bis(6-tert-butyl-2,3-dihydro-1-benzofuran);bis(4-tert-butyl-1,2-dimethylbenzene);bis(1-tert-butyl-4-ethylbenzene);bis(1-tert-butyl-4-fluorobenzene);bis(4-tert-butyl-2-fluoro-1-methylbenzene);bis(1-tert-butyl-4-methoxybenzene);bis(1-tert-butyl-3-methylbenzene);bis(1-tert-butyl-4-methylbenzene);bis(4-tert-butylpyridine);bis(1-tert-butyl-4-(trifluoromethyl)benzene)

C260H360F14N2O4 — CID 158905513

IUPACbis(tert-butylbenzene);bis(4-tert-butyl-1,2-difluorobenzene);bis(6-tert-butyl-2,3-dihydro-1-benzofuran);bis(4-tert-butyl-1,2-dimethylbenzene);bis(1-tert-butyl-4-ethylbenzene);bis(1-tert-butyl-4-fluorobenzene);bis(4-tert-butyl-2-fluoro-1-methylbenzene);bis(1-tert-butyl-4-methoxybenzene);bis(1-tert-butyl-3-methylbenzene);bis(1-tert-butyl-4-methylbenzene);bis(4-tert-butylpyridine);bis(1-tert-butyl-4-(trifluoromethyl)benzene)
SMILESCC(C)(C)c1ccc(C(F)(F)F)cc1.CC(C)(C)c1ccc(C(F)(F)F)cc1.CC(C)(C)c1ccc(F)c(F)c1.CC(C)(C)c1ccc(F)c(F)c1.CC(C)(C)c1ccc(F)cc1.CC(C)(C)c1ccc(F)cc1.CC(C)(C)c1ccc2c(c1)OCC2.CC(C)(C)c1ccc2c(c1)OCC2.CC(C)(C)c1ccccc1.CC(C)(C)c1ccccc1.CC(C)(C)c1ccncc1.CC(C)(C)c1ccncc1.CCc1ccc(C(C)(C)C)cc1.CCc1ccc(C(C)(C)C)cc1.COc1ccc(C(C)(C)C)cc1.COc1ccc(C(C)(C)C)cc1.Cc1ccc(C(C)(C)C)cc1.Cc1ccc(C(C)(C)C)cc1.Cc1ccc(C(C)(C)C)cc1C.Cc1ccc(C(C)(C)C)cc1C.Cc1ccc(C(C)(C)C)cc1F.Cc1ccc(C(C)(C)C)cc1F.Cc1cccc(C(C)(C)C)c1.Cc1cccc(C(C)(C)C)c1
InChIInChI=1S/2C12H16O.4C12H18.2C11H13F3.2C11H15F.2C11H16O.4C11H16.2C10H12F2.2C10H13F.2C10H14.2C9H13N/c2*1-12(2,3)10-5-4-9-6-7-13-11(9)8-10;2*1-9-6-7-11(8-10(9)2)12(3,4)5;2*1-5-10-6-8-11(9-7-10)12(2,3)4;2*1-10(2,3)8-4-6-9(7-5-8)11(12,13)14;2*1-8-5-6-9(7-10(8)12)11(2,3)4;2*1-11(2,3)9-5-7-10(12-4)8-6-9;2*1-9-5-7-10(8-6-9)11(2,3)4;2*1-9-6-5-7-10(8-9)11(2,3)4;2*1-10(2,3)7-4-5-8(11)9(12)6-7;2*1-10(2,3)8-4-6-9(11)7-5-8;2*1-10(2,3)9-7-5-4-6-8-9;2*1-9(2,3)8-4-6-10-7-5-8/h2*4-5,8H,6-7H2,1-3H3;2*6-8H,1-5H3;2*6-9H,5H2,1-4H3;2*4-7H,1-3H3;2*5-7H,1-4H3;2*5-8H,1-4H3;4*5-8H,1-4H3;2*4-6H,1-3H3;2*4-7H,1-3H3;2*4-8H,1-3H3;2*4-7H,1-3H3
InChIKeyJFZMIORRQJZLQT-UHFFFAOYSA-N
MW3843.72 g/mol
LogP77.65
Rot. Bonds4

About bis(tert-butylbenzene);bis(4-tert-butyl-1,2-difluorobenzene);bis(6-tert-butyl-2,3-dihydro-1-benzofuran);bis(4-tert-butyl-1,2-dimethylbenzene);bis(1-tert-butyl-4-ethylbenzene);bis(1-tert-butyl-4-fluorobenzene);bis(4-tert-butyl-2-fluoro-1-methylbenzene);bis(1-tert-butyl-4-methoxybenzene);bis(1-tert-butyl-3-methylbenzene);bis(1-tert-butyl-4-methylbenzene);bis(4-tert-butylpyridine);bis(1-tert-butyl-4-(trifluoromethyl)benzene)

bis(tert-butylbenzene);bis(4-tert-butyl-1,2-difluorobenzene);bis(6-tert-butyl-2,3-dihydro-1-benzofuran);bis(4-tert-butyl-1,2-dimethylbenzene);bis(1-tert-butyl-4-ethylbenzene);bis(1-tert-butyl-4-fluorobenzene);bis(4-tert-butyl-2-fluoro-1-methylbenzene);bis(1-tert-butyl-4-methoxybenzene);bis(1-tert-butyl-3-methylbenzene);bis(1-tert-butyl-4-methylbenzene);bis(4-tert-butylpyridine);bis(1-tert-butyl-4-(trifluoromethyl)benzene) (PubChem CID 158905513) has the molecular formula C260H360F14N2O4 and a molecular weight of 3843.72 g/mol. Its IUPAC name is bis(tert-butylbenzene);bis(4-tert-butyl-1,2-difluorobenzene);bis(6-tert-butyl-2,3-dihydro-1-benzofuran);bis(4-tert-butyl-1,2-dimethylbenzene);bis(1-tert-butyl-4-ethylbenzene);bis(1-tert-butyl-4-fluorobenzene);bis(4-tert-butyl-2-fluoro-1-methylbenzene);bis(1-tert-butyl-4-methoxybenzene);bis(1-tert-butyl-3-methylbenzene);bis(1-tert-butyl-4-methylbenzene);bis(4-tert-butylpyridine);bis(1-tert-butyl-4-(trifluoromethyl)benzene).

Molecular Properties

Compound Namebis(tert-butylbenzene);bis(4-tert-butyl-1,2-difluorobenzene);bis(6-tert-butyl-2,3-dihydro-1-benzofuran);bis(4-tert-butyl-1,2-dimethylbenzene);bis(1-tert-butyl-4-ethylbenzene);bis(1-tert-butyl-4-fluorobenzene);bis(4-tert-butyl-2-fluoro-1-methylbenzene);bis(1-tert-butyl-4-methoxybenzene);bis(1-tert-butyl-3-methylbenzene);bis(1-tert-butyl-4-methylbenzene);bis(4-tert-butylpyridine);bis(1-tert-butyl-4-(trifluoromethyl)benzene)
PubChem CID158905513
Molecular FormulaC260H360F14N2O4
Molecular Weight3843.72 g/mol
Exact Mass3840.78
IUPAC Namebis(tert-butylbenzene);bis(4-tert-butyl-1,2-difluorobenzene);bis(6-tert-butyl-2,3-dihydro-1-benzofuran);bis(4-tert-butyl-1,2-dimethylbenzene);bis(1-tert-butyl-4-ethylbenzene);bis(1-tert-butyl-4-fluorobenzene);bis(4-tert-butyl-2-fluoro-1-methylbenzene);bis(1-tert-butyl-4-methoxybenzene);bis(1-tert-butyl-3-methylbenzene);bis(1-tert-butyl-4-methylbenzene);bis(4-tert-butylpyridine);bis(1-tert-butyl-4-(trifluoromethyl)benzene)
SMILESCC(C)(C)c1ccc(C(F)(F)F)cc1.CC(C)(C)c1ccc(C(F)(F)F)cc1.CC(C)(C)c1ccc(F)c(F)c1.CC(C)(C)c1ccc(F)c(F)c1.CC(C)(C)c1ccc(F)cc1.CC(C)(C)c1ccc(F)cc1.CC(C)(C)c1ccc2c(c1)OCC2.CC(C)(C)c1ccc2c(c1)OCC2.CC(C)(C)c1ccccc1.CC(C)(C)c1ccccc1.CC(C)(C)c1ccncc1.CC(C)(C)c1ccncc1.CCc1ccc(C(C)(C)C)cc1.CCc1ccc(C(C)(C)C)cc1.COc1ccc(C(C)(C)C)cc1.COc1ccc(C(C)(C)C)cc1.Cc1ccc(C(C)(C)C)cc1.Cc1ccc(C(C)(C)C)cc1.Cc1ccc(C(C)(C)C)cc1C.Cc1ccc(C(C)(C)C)cc1C.Cc1ccc(C(C)(C)C)cc1F.Cc1ccc(C(C)(C)C)cc1F.Cc1cccc(C(C)(C)C)c1.Cc1cccc(C(C)(C)C)c1
InChIInChI=1S/2C12H16O.4C12H18.2C11H13F3.2C11H15F.2C11H16O.4C11H16.2C10H12F2.2C10H13F.2C10H14.2C9H13N/c2*1-12(2,3)10-5-4-9-6-7-13-11(9)8-10;2*1-9-6-7-11(8-10(9)2)12(3,4)5;2*1-5-10-6-8-11(9-7-10)12(2,3)4;2*1-10(2,3)8-4-6-9(7-5-8)11(12,13)14;2*1-8-5-6-9(7-10(8)12)11(2,3)4;2*1-11(2,3)9-5-7-10(12-4)8-6-9;2*1-9-5-7-10(8-6-9)11(2,3)4;2*1-9-6-5-7-10(8-9)11(2,3)4;2*1-10(2,3)7-4-5-8(11)9(12)6-7;2*1-10(2,3)8-4-6-9(11)7-5-8;2*1-10(2,3)9-7-5-4-6-8-9;2*1-9(2,3)8-4-6-10-7-5-8/h2*4-5,8H,6-7H2,1-3H3;2*6-8H,1-5H3;2*6-9H,5H2,1-4H3;2*4-7H,1-3H3;2*5-7H,1-4H3;2*5-8H,1-4H3;4*5-8H,1-4H3;2*4-6H,1-3H3;2*4-7H,1-3H3;2*4-8H,1-3H3;2*4-7H,1-3H3
InChIKeyJFZMIORRQJZLQT-UHFFFAOYSA-N
XLogP77.65
TPSA62.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms280
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003843.72
LogP ≤ 577.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze bis(tert-butylbenzene);bis(4-tert-butyl-1,2-difluorobenzene);bis(6-tert-butyl-2,3-dihydro-1-benzofuran);bis(4-tert-butyl-1,2-dimethylbenzene);bis(1-tert-butyl-4-ethylbenzene);bis(1-tert-butyl-4-fluorobenzene);bis(4-tert-butyl-2-fluoro-1-methylbenzene);bis(1-tert-butyl-4-methoxybenzene);bis(1-tert-butyl-3-methylbenzene);bis(1-tert-butyl-4-methylbenzene);bis(4-tert-butylpyridine);bis(1-tert-butyl-4-(trifluoromethyl)benzene) with MolForge

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Related Compounds

4-[4-(1,2,3,6-Tetrahydropyridin-4-yl)-2,5-bis[[2-(trifluoromethyl)phenoxy]methyl]phenyl]pyridine;hydrochloride
CID 44527385
5,20-bis[(E)-2-(2,3-dihydrobenzofuran-5-yl)vinyl]-12,13-dimethyl-8,17-diazoniapentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,12,17(22),18,20-nonaene;trifluoromethanesulfonate
CID 176457214
5,7-bis[(E)-2-(2,3-dihydrobenzofuran-5-yl)vinyl]-8,19-diazoniapentacyclo[13.9.0.02,12.03,8.019,24]tetracosa-1,3(8),4,6,12,14,19(24),20,22-nonaene;trifluoromethanesulfonate
CID 176457229
4-(4-(tert-Butyl)-4''-(1-((tert-butyldimethylsilyl)oxy)ethyl)-6'-(4-methoxyphenyl)-5'-phenyl-4'-(4-(trifluoromethyl)phenyl)-[1,1':2',1''-terphenyl]-3'-yl)pyridine
CID 86341895
4-(4''-(tert-Butyl)-4'-(4-(1-((tert-butyldimethylsilyl)oxy)ethyl)phenyl)-4-methoxy-6'-phenyl-5'-(4-(trifluoromethyl)phenyl)-[1,1':2',1''-terphenyl]-3'-yl)pyridine
CID 86341898
2-[4-Fluoro-2-[5-fluoro-3-[(4-methoxyphenyl)methyl]-2-pyridin-2-ylphenyl]-6-[(4-methoxyphenyl)methyl]phenyl]pyridine
CID 134833888
6,6'-(4,4'-Di-tert-butyl-5,5'-dimethoxy-[1,1'-biphenyl]-2,2'-diyl)bis(3-fluoropyridine)
CID 155908885
2-(5'-(Benzyloxy)-4,4'-di-tert-butyl-2'-(5-fluoropyridin-2-yl)-[1,1'-biphenyl]-2-yl)-3-fluoro-4-methylpyridine
CID 155908907
6,6'-(5,5'-Bis(benzyloxy)-4,4'-di-tert-butyl-[1,1'-biphenyl]-2,2'-diyl)bis(3-fluoropyridine)
CID 155908908
2-(4,4'-Di-tert-butyl-2'-(5-fluoropyridin-2-yl)-5'-methoxy-[1,1'-biphenyl]-2-yl)-3-fluoro-4-methylpyridine
CID 155908932
2-(4'-(Tert-butyl)-2'-(5-fluoropyridin-2-yl)-4-methoxy-[1,1'-biphenyl]-2-yl)-3-methylpyridine
CID 155908933
2-Hexyloxy-5-[1,6,7-trifluoro-5-(2-fluorodecyloxy)naphthalen-2-yl]pyridine
CID 18381114

Frequently Asked Questions

What is the IUPAC name of bis(tert-butylbenzene);bis(4-tert-butyl-1,2-difluorobenzene);bis(6-tert-butyl-2,3-dihydro-1-benzofuran);bis(4-tert-butyl-1,2-dimethylbenzene);bis(1-tert-butyl-4-ethylbenzene);bis(1-tert-butyl-4-fluorobenzene);bis(4-tert-butyl-2-fluoro-1-methylbenzene);bis(1-tert-butyl-4-methoxybenzene);bis(1-tert-butyl-3-methylbenzene);bis(1-tert-butyl-4-methylbenzene);bis(4-tert-butylpyridine);bis(1-tert-butyl-4-(trifluoromethyl)benzene)?
The IUPAC name of bis(tert-butylbenzene);bis(4-tert-butyl-1,2-difluorobenzene);bis(6-tert-butyl-2,3-dihydro-1-benzofuran);bis(4-tert-butyl-1,2-dimethylbenzene);bis(1-tert-butyl-4-ethylbenzene);bis(1-tert-butyl-4-fluorobenzene);bis(4-tert-butyl-2-fluoro-1-methylbenzene);bis(1-tert-butyl-4-methoxybenzene);bis(1-tert-butyl-3-methylbenzene);bis(1-tert-butyl-4-methylbenzene);bis(4-tert-butylpyridine);bis(1-tert-butyl-4-(trifluoromethyl)benzene) (CID 158905513) is bis(tert-butylbenzene);bis(4-tert-butyl-1,2-difluorobenzene);bis(6-tert-butyl-2,3-dihydro-1-benzofuran);bis(4-tert-butyl-1,2-dimethylbenzene);bis(1-tert-butyl-4-ethylbenzene);bis(1-tert-butyl-4-fluorobenzene);bis(4-tert-butyl-2-fluoro-1-methylbenzene);bis(1-tert-butyl-4-methoxybenzene);bis(1-tert-butyl-3-methylbenzene);bis(1-tert-butyl-4-methylbenzene);bis(4-tert-butylpyridine);bis(1-tert-butyl-4-(trifluoromethyl)benzene).
What is the SMILES notation for bis(tert-butylbenzene);bis(4-tert-butyl-1,2-difluorobenzene);bis(6-tert-butyl-2,3-dihydro-1-benzofuran);bis(4-tert-butyl-1,2-dimethylbenzene);bis(1-tert-butyl-4-ethylbenzene);bis(1-tert-butyl-4-fluorobenzene);bis(4-tert-butyl-2-fluoro-1-methylbenzene);bis(1-tert-butyl-4-methoxybenzene);bis(1-tert-butyl-3-methylbenzene);bis(1-tert-butyl-4-methylbenzene);bis(4-tert-butylpyridine);bis(1-tert-butyl-4-(trifluoromethyl)benzene)?
The canonical SMILES for bis(tert-butylbenzene);bis(4-tert-butyl-1,2-difluorobenzene);bis(6-tert-butyl-2,3-dihydro-1-benzofuran);bis(4-tert-butyl-1,2-dimethylbenzene);bis(1-tert-butyl-4-ethylbenzene);bis(1-tert-butyl-4-fluorobenzene);bis(4-tert-butyl-2-fluoro-1-methylbenzene);bis(1-tert-butyl-4-methoxybenzene);bis(1-tert-butyl-3-methylbenzene);bis(1-tert-butyl-4-methylbenzene);bis(4-tert-butylpyridine);bis(1-tert-butyl-4-(trifluoromethyl)benzene) is CC(C)(C)c1ccc(C(F)(F)F)cc1.CC(C)(C)c1ccc(C(F)(F)F)cc1.CC(C)(C)c1ccc(F)c(F)c1.CC(C)(C)c1ccc(F)c(F)c1.CC(C)(C)c1ccc(F)cc1.CC(C)(C)c1ccc(F)cc1.CC(C)(C)c1ccc2c(c1)OCC2.CC(C)(C)c1ccc2c(c1)OCC2.CC(C)(C)c1ccccc1.CC(C)(C)c1ccccc1.CC(C)(C)c1ccncc1.CC(C)(C)c1ccncc1.CCc1ccc(C(C)(C)C)cc1.CCc1ccc(C(C)(C)C)cc1.COc1ccc(C(C)(C)C)cc1.COc1ccc(C(C)(C)C)cc1.Cc1ccc(C(C)(C)C)cc1.Cc1ccc(C(C)(C)C)cc1.Cc1ccc(C(C)(C)C)cc1C.Cc1ccc(C(C)(C)C)cc1C.Cc1ccc(C(C)(C)C)cc1F.Cc1ccc(C(C)(C)C)cc1F.Cc1cccc(C(C)(C)C)c1.Cc1cccc(C(C)(C)C)c1.
What is the InChIKey of bis(tert-butylbenzene);bis(4-tert-butyl-1,2-difluorobenzene);bis(6-tert-butyl-2,3-dihydro-1-benzofuran);bis(4-tert-butyl-1,2-dimethylbenzene);bis(1-tert-butyl-4-ethylbenzene);bis(1-tert-butyl-4-fluorobenzene);bis(4-tert-butyl-2-fluoro-1-methylbenzene);bis(1-tert-butyl-4-methoxybenzene);bis(1-tert-butyl-3-methylbenzene);bis(1-tert-butyl-4-methylbenzene);bis(4-tert-butylpyridine);bis(1-tert-butyl-4-(trifluoromethyl)benzene)?
The InChIKey is JFZMIORRQJZLQT-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H16O.4C12H18.2C11H13F3.2C11H15F.2C11H16O.4C11H16.2C10H12F2.2C10H13F.2C10H14.2C9H13N/c2*1-12(2,3)10-5-4-9-6-7-13-11(9)8-10;2*1-9-6-7-11(8-10(9)2)12(3,4)5;2*1-5-10-6-8-11(9-7-10)12(2,3)4;2*1-10(2,3)8-4-6-9(7-5-8)11(12,13)14;2*1-8-5-6-9(7-10(8)12)11(2,3)4;2*1-11(2,3)9-5-7-10(12-4)8-6-9;2*1-9-5-7-10(8-6-9)11(2,3)4;2*1-9-6-5-7-10(8-9)11(2,3)4;2*1-10(2,3)7-4-5-8(11)9(12)6-7;2*1-10(2,3)8-4-6-9(11)7-5-8;2*1-10(2,3)9-7-5-4-6-8-9;2*1-9(2,3)8-4-6-10-7-5-8/h2*4-5,8H,6-7H2,1-3H3;2*6-8H,1-5H3;2*6-9H,5H2,1-4H3;2*4-7H,1-3H3;2*5-7H,1-4H3;2*5-8H,1-4H3;4*5-8H,1-4H3;2*4-6H,1-3H3;2*4-7H,1-3H3;2*4-8H,1-3H3;2*4-7H,1-3H3.
What are the key properties of bis(tert-butylbenzene);bis(4-tert-butyl-1,2-difluorobenzene);bis(6-tert-butyl-2,3-dihydro-1-benzofuran);bis(4-tert-butyl-1,2-dimethylbenzene);bis(1-tert-butyl-4-ethylbenzene);bis(1-tert-butyl-4-fluorobenzene);bis(4-tert-butyl-2-fluoro-1-methylbenzene);bis(1-tert-butyl-4-methoxybenzene);bis(1-tert-butyl-3-methylbenzene);bis(1-tert-butyl-4-methylbenzene);bis(4-tert-butylpyridine);bis(1-tert-butyl-4-(trifluoromethyl)benzene)?
bis(tert-butylbenzene);bis(4-tert-butyl-1,2-difluorobenzene);bis(6-tert-butyl-2,3-dihydro-1-benzofuran);bis(4-tert-butyl-1,2-dimethylbenzene);bis(1-tert-butyl-4-ethylbenzene);bis(1-tert-butyl-4-fluorobenzene);bis(4-tert-butyl-2-fluoro-1-methylbenzene);bis(1-tert-butyl-4-methoxybenzene);bis(1-tert-butyl-3-methylbenzene);bis(1-tert-butyl-4-methylbenzene);bis(4-tert-butylpyridine);bis(1-tert-butyl-4-(trifluoromethyl)benzene) has a molecular weight of 3843.72 g/mol, XLogP of 77.65, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(tert-butylbenzene);bis(4-tert-butyl-1,2-difluorobenzene);bis(6-tert-butyl-2,3-dihydro-1-benzofuran);bis(4-tert-butyl-1,2-dimethylbenzene);bis(1-tert-butyl-4-ethylbenzene);bis(1-tert-butyl-4-fluorobenzene);bis(4-tert-butyl-2-fluoro-1-methylbenzene);bis(1-tert-butyl-4-methoxybenzene);bis(1-tert-butyl-3-methylbenzene);bis(1-tert-butyl-4-methylbenzene);bis(4-tert-butylpyridine);bis(1-tert-butyl-4-(trifluoromethyl)benzene) is sourced from PubChem (CID 158905513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).