1-tert-butyl-4-(4-tert-butylphenyl)benzene;2-tert-butyl-5-(4-tert-butylphenyl)benzonitrile;5-tert-butyl-2-(4-tert-butylphenyl)benzonitrile;5-tert-butyl-2-(4-tert-butylphenyl)-1,3-difluorobenzene;bis(4-tert-butyl-1-(4-tert-butylphenyl)-2-fluorobenzene);2-tert-butyl-5-(4-tert-butylphenyl)pyridine;5-tert-butyl-2-(4-tert-butylphenyl)pyridine;5-tert-butyl-2-(4-tert-butylphenyl)pyrimidine;4-tert-butyl-1-(4-tert-butylphenyl)-2-(trifluoromethoxy)benzene;1,4-ditert-butylbenzene;2,6-ditert-butylnaphthalene

C231H295F7N6O — CID 158492559

IUPAC1-tert-butyl-4-(4-tert-butylphenyl)benzene;2-tert-butyl-5-(4-tert-butylphenyl)benzonitrile;5-tert-butyl-2-(4-tert-butylphenyl)benzonitrile;5-tert-butyl-2-(4-tert-butylphenyl)-1,3-difluorobenzene;bis(4-tert-butyl-1-(4-tert-butylphenyl)-2-fluorobenzene);2-tert-butyl-5-(4-tert-butylphenyl)pyridine;5-tert-butyl-2-(4-tert-butylphenyl)pyridine;5-tert-butyl-2-(4-tert-butylphenyl)pyrimidine;4-tert-butyl-1-(4-tert-butylphenyl)-2-(trifluoromethoxy)benzene;1,4-ditert-butylbenzene;2,6-ditert-butylnaphthalene
SMILESCC(C)(C)c1ccc(-c2c(F)cc(C(C)(C)C)cc2F)cc1.CC(C)(C)c1ccc(-c2ccc(C(C)(C)C)c(C#N)c2)cc1.CC(C)(C)c1ccc(-c2ccc(C(C)(C)C)cc2)cc1.CC(C)(C)c1ccc(-c2ccc(C(C)(C)C)cc2C#N)cc1.CC(C)(C)c1ccc(-c2ccc(C(C)(C)C)cc2F)cc1.CC(C)(C)c1ccc(-c2ccc(C(C)(C)C)cc2F)cc1.CC(C)(C)c1ccc(-c2ccc(C(C)(C)C)cc2OC(F)(F)F)cc1.CC(C)(C)c1ccc(-c2ccc(C(C)(C)C)cn2)cc1.CC(C)(C)c1ccc(-c2ccc(C(C)(C)C)nc2)cc1.CC(C)(C)c1ccc(-c2ncc(C(C)(C)C)cn2)cc1.CC(C)(C)c1ccc(C(C)(C)C)cc1.CC(C)(C)c1ccc2cc(C(C)(C)C)ccc2c1
InChIInChI=1S/C21H25F3O.2C21H25N.C20H24F2.2C20H25F.C20H26.2C19H25N.C18H24N2.C18H24.C14H22/c1-19(2,3)15-9-7-14(8-10-15)17-12-11-16(20(4,5)6)13-18(17)25-21(22,23)24;1-20(2,3)18-10-7-15(8-11-18)16-9-12-19(21(4,5)6)17(13-16)14-22;1-20(2,3)17-9-7-15(8-10-17)19-12-11-18(21(4,5)6)13-16(19)14-22;1-19(2,3)14-9-7-13(8-10-14)18-16(21)11-15(12-17(18)22)20(4,5)6;2*1-19(2,3)15-9-7-14(8-10-15)17-12-11-16(13-18(17)21)20(4,5)6;1-19(2,3)17-11-7-15(8-12-17)16-9-13-18(14-10-16)20(4,5)6;1-18(2,3)16-10-7-14(8-11-16)15-9-12-17(20-13-15)19(4,5)6;1-18(2,3)15-9-7-14(8-10-15)17-12-11-16(13-20-17)19(4,5)6;1-17(2,3)14-9-7-13(8-10-14)16-19-11-15(12-20-16)18(4,5)6;1-17(2,3)15-9-7-14-12-16(18(4,5)6)10-8-13(14)11-15;1-13(2,3)11-7-9-12(10-8-11)14(4,5)6/h7-13H,1-6H3;2*7-13H,1-6H3;7-12H,1-6H3;2*7-13H,1-6H3;7-14H,1-6H3;2*7-13H,1-6H3;7-12H,1-6H3;7-12H,1-6H3;7-10H,1-6H3
InChIKeyHIWJPBYJWUNEJC-UHFFFAOYSA-N
MW3304.93 g/mol
LogP67.98
Rot. Bonds11

About 1-tert-butyl-4-(4-tert-butylphenyl)benzene;2-tert-butyl-5-(4-tert-butylphenyl)benzonitrile;5-tert-butyl-2-(4-tert-butylphenyl)benzonitrile;5-tert-butyl-2-(4-tert-butylphenyl)-1,3-difluorobenzene;bis(4-tert-butyl-1-(4-tert-butylphenyl)-2-fluorobenzene);2-tert-butyl-5-(4-tert-butylphenyl)pyridine;5-tert-butyl-2-(4-tert-butylphenyl)pyridine;5-tert-butyl-2-(4-tert-butylphenyl)pyrimidine;4-tert-butyl-1-(4-tert-butylphenyl)-2-(trifluoromethoxy)benzene;1,4-ditert-butylbenzene;2,6-ditert-butylnaphthalene

1-tert-butyl-4-(4-tert-butylphenyl)benzene;2-tert-butyl-5-(4-tert-butylphenyl)benzonitrile;5-tert-butyl-2-(4-tert-butylphenyl)benzonitrile;5-tert-butyl-2-(4-tert-butylphenyl)-1,3-difluorobenzene;bis(4-tert-butyl-1-(4-tert-butylphenyl)-2-fluorobenzene);2-tert-butyl-5-(4-tert-butylphenyl)pyridine;5-tert-butyl-2-(4-tert-butylphenyl)pyridine;5-tert-butyl-2-(4-tert-butylphenyl)pyrimidine;4-tert-butyl-1-(4-tert-butylphenyl)-2-(trifluoromethoxy)benzene;1,4-ditert-butylbenzene;2,6-ditert-butylnaphthalene (PubChem CID 158492559) has the molecular formula C231H295F7N6O and a molecular weight of 3304.93 g/mol. Its IUPAC name is 1-tert-butyl-4-(4-tert-butylphenyl)benzene;2-tert-butyl-5-(4-tert-butylphenyl)benzonitrile;5-tert-butyl-2-(4-tert-butylphenyl)benzonitrile;5-tert-butyl-2-(4-tert-butylphenyl)-1,3-difluorobenzene;bis(4-tert-butyl-1-(4-tert-butylphenyl)-2-fluorobenzene);2-tert-butyl-5-(4-tert-butylphenyl)pyridine;5-tert-butyl-2-(4-tert-butylphenyl)pyridine;5-tert-butyl-2-(4-tert-butylphenyl)pyrimidine;4-tert-butyl-1-(4-tert-butylphenyl)-2-(trifluoromethoxy)benzene;1,4-ditert-butylbenzene;2,6-ditert-butylnaphthalene.

Molecular Properties

Compound Name1-tert-butyl-4-(4-tert-butylphenyl)benzene;2-tert-butyl-5-(4-tert-butylphenyl)benzonitrile;5-tert-butyl-2-(4-tert-butylphenyl)benzonitrile;5-tert-butyl-2-(4-tert-butylphenyl)-1,3-difluorobenzene;bis(4-tert-butyl-1-(4-tert-butylphenyl)-2-fluorobenzene);2-tert-butyl-5-(4-tert-butylphenyl)pyridine;5-tert-butyl-2-(4-tert-butylphenyl)pyridine;5-tert-butyl-2-(4-tert-butylphenyl)pyrimidine;4-tert-butyl-1-(4-tert-butylphenyl)-2-(trifluoromethoxy)benzene;1,4-ditert-butylbenzene;2,6-ditert-butylnaphthalene
PubChem CID158492559
Molecular FormulaC231H295F7N6O
Molecular Weight3304.93 g/mol
Exact Mass3302.31
IUPAC Name1-tert-butyl-4-(4-tert-butylphenyl)benzene;2-tert-butyl-5-(4-tert-butylphenyl)benzonitrile;5-tert-butyl-2-(4-tert-butylphenyl)benzonitrile;5-tert-butyl-2-(4-tert-butylphenyl)-1,3-difluorobenzene;bis(4-tert-butyl-1-(4-tert-butylphenyl)-2-fluorobenzene);2-tert-butyl-5-(4-tert-butylphenyl)pyridine;5-tert-butyl-2-(4-tert-butylphenyl)pyridine;5-tert-butyl-2-(4-tert-butylphenyl)pyrimidine;4-tert-butyl-1-(4-tert-butylphenyl)-2-(trifluoromethoxy)benzene;1,4-ditert-butylbenzene;2,6-ditert-butylnaphthalene
SMILESCC(C)(C)c1ccc(-c2c(F)cc(C(C)(C)C)cc2F)cc1.CC(C)(C)c1ccc(-c2ccc(C(C)(C)C)c(C#N)c2)cc1.CC(C)(C)c1ccc(-c2ccc(C(C)(C)C)cc2)cc1.CC(C)(C)c1ccc(-c2ccc(C(C)(C)C)cc2C#N)cc1.CC(C)(C)c1ccc(-c2ccc(C(C)(C)C)cc2F)cc1.CC(C)(C)c1ccc(-c2ccc(C(C)(C)C)cc2F)cc1.CC(C)(C)c1ccc(-c2ccc(C(C)(C)C)cc2OC(F)(F)F)cc1.CC(C)(C)c1ccc(-c2ccc(C(C)(C)C)cn2)cc1.CC(C)(C)c1ccc(-c2ccc(C(C)(C)C)nc2)cc1.CC(C)(C)c1ccc(-c2ncc(C(C)(C)C)cn2)cc1.CC(C)(C)c1ccc(C(C)(C)C)cc1.CC(C)(C)c1ccc2cc(C(C)(C)C)ccc2c1
InChIInChI=1S/C21H25F3O.2C21H25N.C20H24F2.2C20H25F.C20H26.2C19H25N.C18H24N2.C18H24.C14H22/c1-19(2,3)15-9-7-14(8-10-15)17-12-11-16(20(4,5)6)13-18(17)25-21(22,23)24;1-20(2,3)18-10-7-15(8-11-18)16-9-12-19(21(4,5)6)17(13-16)14-22;1-20(2,3)17-9-7-15(8-10-17)19-12-11-18(21(4,5)6)13-16(19)14-22;1-19(2,3)14-9-7-13(8-10-14)18-16(21)11-15(12-17(18)22)20(4,5)6;2*1-19(2,3)15-9-7-14(8-10-15)17-12-11-16(13-18(17)21)20(4,5)6;1-19(2,3)17-11-7-15(8-12-17)16-9-13-18(14-10-16)20(4,5)6;1-18(2,3)16-10-7-14(8-11-16)15-9-12-17(20-13-15)19(4,5)6;1-18(2,3)15-9-7-14(8-10-15)17-12-11-16(13-20-17)19(4,5)6;1-17(2,3)14-9-7-13(8-10-14)16-19-11-15(12-20-16)18(4,5)6;1-17(2,3)15-9-7-14-12-16(18(4,5)6)10-8-13(14)11-15;1-13(2,3)11-7-9-12(10-8-11)14(4,5)6/h7-13H,1-6H3;2*7-13H,1-6H3;7-12H,1-6H3;2*7-13H,1-6H3;7-14H,1-6H3;2*7-13H,1-6H3;7-12H,1-6H3;7-12H,1-6H3;7-10H,1-6H3
InChIKeyHIWJPBYJWUNEJC-UHFFFAOYSA-N
XLogP67.98
TPSA108.37 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms245
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003304.93
LogP ≤ 567.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-tert-butyl-4-(4-tert-butylphenyl)benzene;2-tert-butyl-5-(4-tert-butylphenyl)benzonitrile;5-tert-butyl-2-(4-tert-butylphenyl)benzonitrile;5-tert-butyl-2-(4-tert-butylphenyl)-1,3-difluorobenzene;bis(4-tert-butyl-1-(4-tert-butylphenyl)-2-fluorobenzene);2-tert-butyl-5-(4-tert-butylphenyl)pyridine;5-tert-butyl-2-(4-tert-butylphenyl)pyridine;5-tert-butyl-2-(4-tert-butylphenyl)pyrimidine;4-tert-butyl-1-(4-tert-butylphenyl)-2-(trifluoromethoxy)benzene;1,4-ditert-butylbenzene;2,6-ditert-butylnaphthalene with MolForge

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Related Compounds

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4-[1-(2,6-Difluorobenzyl)-4-piperidinyl]-5-(3-methoxyphenyl)-2-(4-pyridinyl)pyrimidine
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4-[1-(2,3-Difluorobenzyl)-4-piperidinyl]-5-(3-methoxyphenyl)-2-(4-pyridinyl)pyrimidine
CID 42421170
4-[1-(4-Fluoro-3-methoxybenzyl)-4-piperidinyl]-5-(3-methylphenyl)-2-(4-pyridinyl)pyrimidine
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4-[1-(3,4-Difluorobenzyl)-4-piperidinyl]-5-(3-methoxyphenyl)-2-(4-pyridinyl)pyrimidine
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4-(6-Methoxy-4-piperidin-1-ylnaphthalen-2-yl)-2-[2-[3-(trifluoromethyl)phenyl]ethyl]pyrimidine
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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-(4-tert-butylphenyl)benzene;2-tert-butyl-5-(4-tert-butylphenyl)benzonitrile;5-tert-butyl-2-(4-tert-butylphenyl)benzonitrile;5-tert-butyl-2-(4-tert-butylphenyl)-1,3-difluorobenzene;bis(4-tert-butyl-1-(4-tert-butylphenyl)-2-fluorobenzene);2-tert-butyl-5-(4-tert-butylphenyl)pyridine;5-tert-butyl-2-(4-tert-butylphenyl)pyridine;5-tert-butyl-2-(4-tert-butylphenyl)pyrimidine;4-tert-butyl-1-(4-tert-butylphenyl)-2-(trifluoromethoxy)benzene;1,4-ditert-butylbenzene;2,6-ditert-butylnaphthalene?
The IUPAC name of 1-tert-butyl-4-(4-tert-butylphenyl)benzene;2-tert-butyl-5-(4-tert-butylphenyl)benzonitrile;5-tert-butyl-2-(4-tert-butylphenyl)benzonitrile;5-tert-butyl-2-(4-tert-butylphenyl)-1,3-difluorobenzene;bis(4-tert-butyl-1-(4-tert-butylphenyl)-2-fluorobenzene);2-tert-butyl-5-(4-tert-butylphenyl)pyridine;5-tert-butyl-2-(4-tert-butylphenyl)pyridine;5-tert-butyl-2-(4-tert-butylphenyl)pyrimidine;4-tert-butyl-1-(4-tert-butylphenyl)-2-(trifluoromethoxy)benzene;1,4-ditert-butylbenzene;2,6-ditert-butylnaphthalene (CID 158492559) is 1-tert-butyl-4-(4-tert-butylphenyl)benzene;2-tert-butyl-5-(4-tert-butylphenyl)benzonitrile;5-tert-butyl-2-(4-tert-butylphenyl)benzonitrile;5-tert-butyl-2-(4-tert-butylphenyl)-1,3-difluorobenzene;bis(4-tert-butyl-1-(4-tert-butylphenyl)-2-fluorobenzene);2-tert-butyl-5-(4-tert-butylphenyl)pyridine;5-tert-butyl-2-(4-tert-butylphenyl)pyridine;5-tert-butyl-2-(4-tert-butylphenyl)pyrimidine;4-tert-butyl-1-(4-tert-butylphenyl)-2-(trifluoromethoxy)benzene;1,4-ditert-butylbenzene;2,6-ditert-butylnaphthalene.
What is the SMILES notation for 1-tert-butyl-4-(4-tert-butylphenyl)benzene;2-tert-butyl-5-(4-tert-butylphenyl)benzonitrile;5-tert-butyl-2-(4-tert-butylphenyl)benzonitrile;5-tert-butyl-2-(4-tert-butylphenyl)-1,3-difluorobenzene;bis(4-tert-butyl-1-(4-tert-butylphenyl)-2-fluorobenzene);2-tert-butyl-5-(4-tert-butylphenyl)pyridine;5-tert-butyl-2-(4-tert-butylphenyl)pyridine;5-tert-butyl-2-(4-tert-butylphenyl)pyrimidine;4-tert-butyl-1-(4-tert-butylphenyl)-2-(trifluoromethoxy)benzene;1,4-ditert-butylbenzene;2,6-ditert-butylnaphthalene?
The canonical SMILES for 1-tert-butyl-4-(4-tert-butylphenyl)benzene;2-tert-butyl-5-(4-tert-butylphenyl)benzonitrile;5-tert-butyl-2-(4-tert-butylphenyl)benzonitrile;5-tert-butyl-2-(4-tert-butylphenyl)-1,3-difluorobenzene;bis(4-tert-butyl-1-(4-tert-butylphenyl)-2-fluorobenzene);2-tert-butyl-5-(4-tert-butylphenyl)pyridine;5-tert-butyl-2-(4-tert-butylphenyl)pyridine;5-tert-butyl-2-(4-tert-butylphenyl)pyrimidine;4-tert-butyl-1-(4-tert-butylphenyl)-2-(trifluoromethoxy)benzene;1,4-ditert-butylbenzene;2,6-ditert-butylnaphthalene is CC(C)(C)c1ccc(-c2c(F)cc(C(C)(C)C)cc2F)cc1.CC(C)(C)c1ccc(-c2ccc(C(C)(C)C)c(C#N)c2)cc1.CC(C)(C)c1ccc(-c2ccc(C(C)(C)C)cc2)cc1.CC(C)(C)c1ccc(-c2ccc(C(C)(C)C)cc2C#N)cc1.CC(C)(C)c1ccc(-c2ccc(C(C)(C)C)cc2F)cc1.CC(C)(C)c1ccc(-c2ccc(C(C)(C)C)cc2F)cc1.CC(C)(C)c1ccc(-c2ccc(C(C)(C)C)cc2OC(F)(F)F)cc1.CC(C)(C)c1ccc(-c2ccc(C(C)(C)C)cn2)cc1.CC(C)(C)c1ccc(-c2ccc(C(C)(C)C)nc2)cc1.CC(C)(C)c1ccc(-c2ncc(C(C)(C)C)cn2)cc1.CC(C)(C)c1ccc(C(C)(C)C)cc1.CC(C)(C)c1ccc2cc(C(C)(C)C)ccc2c1.
What is the InChIKey of 1-tert-butyl-4-(4-tert-butylphenyl)benzene;2-tert-butyl-5-(4-tert-butylphenyl)benzonitrile;5-tert-butyl-2-(4-tert-butylphenyl)benzonitrile;5-tert-butyl-2-(4-tert-butylphenyl)-1,3-difluorobenzene;bis(4-tert-butyl-1-(4-tert-butylphenyl)-2-fluorobenzene);2-tert-butyl-5-(4-tert-butylphenyl)pyridine;5-tert-butyl-2-(4-tert-butylphenyl)pyridine;5-tert-butyl-2-(4-tert-butylphenyl)pyrimidine;4-tert-butyl-1-(4-tert-butylphenyl)-2-(trifluoromethoxy)benzene;1,4-ditert-butylbenzene;2,6-ditert-butylnaphthalene?
The InChIKey is HIWJPBYJWUNEJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25F3O.2C21H25N.C20H24F2.2C20H25F.C20H26.2C19H25N.C18H24N2.C18H24.C14H22/c1-19(2,3)15-9-7-14(8-10-15)17-12-11-16(20(4,5)6)13-18(17)25-21(22,23)24;1-20(2,3)18-10-7-15(8-11-18)16-9-12-19(21(4,5)6)17(13-16)14-22;1-20(2,3)17-9-7-15(8-10-17)19-12-11-18(21(4,5)6)13-16(19)14-22;1-19(2,3)14-9-7-13(8-10-14)18-16(21)11-15(12-17(18)22)20(4,5)6;2*1-19(2,3)15-9-7-14(8-10-15)17-12-11-16(13-18(17)21)20(4,5)6;1-19(2,3)17-11-7-15(8-12-17)16-9-13-18(14-10-16)20(4,5)6;1-18(2,3)16-10-7-14(8-11-16)15-9-12-17(20-13-15)19(4,5)6;1-18(2,3)15-9-7-14(8-10-15)17-12-11-16(13-20-17)19(4,5)6;1-17(2,3)14-9-7-13(8-10-14)16-19-11-15(12-20-16)18(4,5)6;1-17(2,3)15-9-7-14-12-16(18(4,5)6)10-8-13(14)11-15;1-13(2,3)11-7-9-12(10-8-11)14(4,5)6/h7-13H,1-6H3;2*7-13H,1-6H3;7-12H,1-6H3;2*7-13H,1-6H3;7-14H,1-6H3;2*7-13H,1-6H3;7-12H,1-6H3;7-12H,1-6H3;7-10H,1-6H3.
What are the key properties of 1-tert-butyl-4-(4-tert-butylphenyl)benzene;2-tert-butyl-5-(4-tert-butylphenyl)benzonitrile;5-tert-butyl-2-(4-tert-butylphenyl)benzonitrile;5-tert-butyl-2-(4-tert-butylphenyl)-1,3-difluorobenzene;bis(4-tert-butyl-1-(4-tert-butylphenyl)-2-fluorobenzene);2-tert-butyl-5-(4-tert-butylphenyl)pyridine;5-tert-butyl-2-(4-tert-butylphenyl)pyridine;5-tert-butyl-2-(4-tert-butylphenyl)pyrimidine;4-tert-butyl-1-(4-tert-butylphenyl)-2-(trifluoromethoxy)benzene;1,4-ditert-butylbenzene;2,6-ditert-butylnaphthalene?
1-tert-butyl-4-(4-tert-butylphenyl)benzene;2-tert-butyl-5-(4-tert-butylphenyl)benzonitrile;5-tert-butyl-2-(4-tert-butylphenyl)benzonitrile;5-tert-butyl-2-(4-tert-butylphenyl)-1,3-difluorobenzene;bis(4-tert-butyl-1-(4-tert-butylphenyl)-2-fluorobenzene);2-tert-butyl-5-(4-tert-butylphenyl)pyridine;5-tert-butyl-2-(4-tert-butylphenyl)pyridine;5-tert-butyl-2-(4-tert-butylphenyl)pyrimidine;4-tert-butyl-1-(4-tert-butylphenyl)-2-(trifluoromethoxy)benzene;1,4-ditert-butylbenzene;2,6-ditert-butylnaphthalene has a molecular weight of 3304.93 g/mol, XLogP of 67.98, 11 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-(4-tert-butylphenyl)benzene;2-tert-butyl-5-(4-tert-butylphenyl)benzonitrile;5-tert-butyl-2-(4-tert-butylphenyl)benzonitrile;5-tert-butyl-2-(4-tert-butylphenyl)-1,3-difluorobenzene;bis(4-tert-butyl-1-(4-tert-butylphenyl)-2-fluorobenzene);2-tert-butyl-5-(4-tert-butylphenyl)pyridine;5-tert-butyl-2-(4-tert-butylphenyl)pyridine;5-tert-butyl-2-(4-tert-butylphenyl)pyrimidine;4-tert-butyl-1-(4-tert-butylphenyl)-2-(trifluoromethoxy)benzene;1,4-ditert-butylbenzene;2,6-ditert-butylnaphthalene is sourced from PubChem (CID 158492559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).