1-butyl-4-(4-tert-butylphenyl)benzene;1-tert-butyl-4-(4-tert-butylphenyl)-2-methylbenzene;5-tert-butyl-2-(4-tert-butylphenyl)-4-methylpyrimidine;1-tert-butyl-2-ethyl-4-octylbenzene;1-tert-butyl-4-heptyl-2-methylbenzene;1-tert-butyl-4-hexyl-2-methylbenzene;1-tert-butyl-2-methyl-4-[4-(2-methylpropyl)phenyl]benzene;3-tert-butyl-2-methyl-6-[4-(2-methylpropyl)phenyl]pyridine

C156H227N3 — CID 158112580

IUPAC1-butyl-4-(4-tert-butylphenyl)benzene;1-tert-butyl-4-(4-tert-butylphenyl)-2-methylbenzene;5-tert-butyl-2-(4-tert-butylphenyl)-4-methylpyrimidine;1-tert-butyl-2-ethyl-4-octylbenzene;1-tert-butyl-4-heptyl-2-methylbenzene;1-tert-butyl-4-hexyl-2-methylbenzene;1-tert-butyl-2-methyl-4-[4-(2-methylpropyl)phenyl]benzene;3-tert-butyl-2-methyl-6-[4-(2-methylpropyl)phenyl]pyridine
SMILESCCCCCCCCc1ccc(C(C)(C)C)c(CC)c1.CCCCCCCc1ccc(C(C)(C)C)c(C)c1.CCCCCCc1ccc(C(C)(C)C)c(C)c1.CCCCc1ccc(-c2ccc(C(C)(C)C)cc2)cc1.Cc1cc(-c2ccc(C(C)(C)C)cc2)ccc1C(C)(C)C.Cc1cc(-c2ccc(CC(C)C)cc2)ccc1C(C)(C)C.Cc1nc(-c2ccc(C(C)(C)C)cc2)ncc1C(C)(C)C.Cc1nc(-c2ccc(CC(C)C)cc2)ccc1C(C)(C)C
InChIInChI=1S/2C21H28.C20H27N.C20H26.C20H34.C19H26N2.C18H30.C17H28/c1-15-14-17(10-13-19(15)21(5,6)7)16-8-11-18(12-9-16)20(2,3)4;1-15(2)13-17-7-9-18(10-8-17)19-11-12-20(16(3)14-19)21(4,5)6;1-14(2)13-16-7-9-17(10-8-16)19-12-11-18(15(3)21-19)20(4,5)6;1-5-6-7-16-8-10-17(11-9-16)18-12-14-19(15-13-18)20(2,3)4;1-6-8-9-10-11-12-13-17-14-15-19(20(3,4)5)18(7-2)16-17;1-13-16(19(5,6)7)12-20-17(21-13)14-8-10-15(11-9-14)18(2,3)4;1-6-7-8-9-10-11-16-12-13-17(15(2)14-16)18(3,4)5;1-6-7-8-9-10-15-11-12-16(14(2)13-15)17(3,4)5/h8-14H,1-7H3;7-12,14-15H,13H2,1-6H3;7-12,14H,13H2,1-6H3;8-15H,5-7H2,1-4H3;14-16H,6-13H2,1-5H3;8-12H,1-7H3;12-14H,6-11H2,1-5H3;11-13H,6-10H2,1-5H3
InChIKeyFQPRAZGTJQETDQ-UHFFFAOYSA-N
MW2144.55 g/mol
LogP46.68
Rot. Bonds31

About 1-butyl-4-(4-tert-butylphenyl)benzene;1-tert-butyl-4-(4-tert-butylphenyl)-2-methylbenzene;5-tert-butyl-2-(4-tert-butylphenyl)-4-methylpyrimidine;1-tert-butyl-2-ethyl-4-octylbenzene;1-tert-butyl-4-heptyl-2-methylbenzene;1-tert-butyl-4-hexyl-2-methylbenzene;1-tert-butyl-2-methyl-4-[4-(2-methylpropyl)phenyl]benzene;3-tert-butyl-2-methyl-6-[4-(2-methylpropyl)phenyl]pyridine

1-butyl-4-(4-tert-butylphenyl)benzene;1-tert-butyl-4-(4-tert-butylphenyl)-2-methylbenzene;5-tert-butyl-2-(4-tert-butylphenyl)-4-methylpyrimidine;1-tert-butyl-2-ethyl-4-octylbenzene;1-tert-butyl-4-heptyl-2-methylbenzene;1-tert-butyl-4-hexyl-2-methylbenzene;1-tert-butyl-2-methyl-4-[4-(2-methylpropyl)phenyl]benzene;3-tert-butyl-2-methyl-6-[4-(2-methylpropyl)phenyl]pyridine (PubChem CID 158112580) has the molecular formula C156H227N3 and a molecular weight of 2144.55 g/mol. Its IUPAC name is 1-butyl-4-(4-tert-butylphenyl)benzene;1-tert-butyl-4-(4-tert-butylphenyl)-2-methylbenzene;5-tert-butyl-2-(4-tert-butylphenyl)-4-methylpyrimidine;1-tert-butyl-2-ethyl-4-octylbenzene;1-tert-butyl-4-heptyl-2-methylbenzene;1-tert-butyl-4-hexyl-2-methylbenzene;1-tert-butyl-2-methyl-4-[4-(2-methylpropyl)phenyl]benzene;3-tert-butyl-2-methyl-6-[4-(2-methylpropyl)phenyl]pyridine.

Molecular Properties

Compound Name1-butyl-4-(4-tert-butylphenyl)benzene;1-tert-butyl-4-(4-tert-butylphenyl)-2-methylbenzene;5-tert-butyl-2-(4-tert-butylphenyl)-4-methylpyrimidine;1-tert-butyl-2-ethyl-4-octylbenzene;1-tert-butyl-4-heptyl-2-methylbenzene;1-tert-butyl-4-hexyl-2-methylbenzene;1-tert-butyl-2-methyl-4-[4-(2-methylpropyl)phenyl]benzene;3-tert-butyl-2-methyl-6-[4-(2-methylpropyl)phenyl]pyridine
PubChem CID158112580
Molecular FormulaC156H227N3
Molecular Weight2144.55 g/mol
Exact Mass2142.79
IUPAC Name1-butyl-4-(4-tert-butylphenyl)benzene;1-tert-butyl-4-(4-tert-butylphenyl)-2-methylbenzene;5-tert-butyl-2-(4-tert-butylphenyl)-4-methylpyrimidine;1-tert-butyl-2-ethyl-4-octylbenzene;1-tert-butyl-4-heptyl-2-methylbenzene;1-tert-butyl-4-hexyl-2-methylbenzene;1-tert-butyl-2-methyl-4-[4-(2-methylpropyl)phenyl]benzene;3-tert-butyl-2-methyl-6-[4-(2-methylpropyl)phenyl]pyridine
SMILESCCCCCCCCc1ccc(C(C)(C)C)c(CC)c1.CCCCCCCc1ccc(C(C)(C)C)c(C)c1.CCCCCCc1ccc(C(C)(C)C)c(C)c1.CCCCc1ccc(-c2ccc(C(C)(C)C)cc2)cc1.Cc1cc(-c2ccc(C(C)(C)C)cc2)ccc1C(C)(C)C.Cc1cc(-c2ccc(CC(C)C)cc2)ccc1C(C)(C)C.Cc1nc(-c2ccc(C(C)(C)C)cc2)ncc1C(C)(C)C.Cc1nc(-c2ccc(CC(C)C)cc2)ccc1C(C)(C)C
InChIInChI=1S/2C21H28.C20H27N.C20H26.C20H34.C19H26N2.C18H30.C17H28/c1-15-14-17(10-13-19(15)21(5,6)7)16-8-11-18(12-9-16)20(2,3)4;1-15(2)13-17-7-9-18(10-8-17)19-11-12-20(16(3)14-19)21(4,5)6;1-14(2)13-16-7-9-17(10-8-16)19-12-11-18(15(3)21-19)20(4,5)6;1-5-6-7-16-8-10-17(11-9-16)18-12-14-19(15-13-18)20(2,3)4;1-6-8-9-10-11-12-13-17-14-15-19(20(3,4)5)18(7-2)16-17;1-13-16(19(5,6)7)12-20-17(21-13)14-8-10-15(11-9-14)18(2,3)4;1-6-7-8-9-10-11-16-12-13-17(15(2)14-16)18(3,4)5;1-6-7-8-9-10-15-11-12-16(14(2)13-15)17(3,4)5/h8-14H,1-7H3;7-12,14-15H,13H2,1-6H3;7-12,14H,13H2,1-6H3;8-15H,5-7H2,1-4H3;14-16H,6-13H2,1-5H3;8-12H,1-7H3;12-14H,6-11H2,1-5H3;11-13H,6-10H2,1-5H3
InChIKeyFQPRAZGTJQETDQ-UHFFFAOYSA-N
XLogP46.68
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds31
Heavy Atoms159
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002144.55
LogP ≤ 546.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-butyl-4-(4-tert-butylphenyl)benzene;1-tert-butyl-4-(4-tert-butylphenyl)-2-methylbenzene;5-tert-butyl-2-(4-tert-butylphenyl)-4-methylpyrimidine;1-tert-butyl-2-ethyl-4-octylbenzene;1-tert-butyl-4-heptyl-2-methylbenzene;1-tert-butyl-4-hexyl-2-methylbenzene;1-tert-butyl-2-methyl-4-[4-(2-methylpropyl)phenyl]benzene;3-tert-butyl-2-methyl-6-[4-(2-methylpropyl)phenyl]pyridine with MolForge

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Related Compounds

3-tert-butyl-2-methyl-6-[4-(2-methylpropyl)phenyl]pyridine
CID 140943602
2-(4-hexylphenyl)-4-methylpyrimidin-5-ol
CID 57239148
2,4-bis(4,5-dimethylpyrimidin-2-yl)-6-(4-hexylphenyl)-1,3,5-triazine
CID 118119388
2-[3-[3,5-bis(4-tert-butylphenyl)phenyl]phenyl]-5-decylpyrimidine
CID 140591528
5-hexyl-2-[4-[4-(2-methylbutyl)phenyl]phenyl]pyrimidine
CID 19991105
5-hexyl-2-[4-[4-[(2S)-2-methylbutyl]phenyl]phenyl]pyrimidine
CID 18647454
2-(4-decylphenyl)-6-octylquinoxaline
CID 59933390
2-[4-(4-hexylphenyl)phenyl]-5-octylpyrimidine
CID 14178029
2-ethyl-4-heptyl-1-methylbenzene
CID 58289217
5-ethyl-4-methyl-2-[4-(2-methylpropyl)phenyl]pyridine
CID 163857972
1-(2-methylpropyl)-4-pentylbenzene
CID 57045392
1-tert-butyl-4-undecylbenzene
CID 162402478

Frequently Asked Questions

What is the IUPAC name of 1-butyl-4-(4-tert-butylphenyl)benzene;1-tert-butyl-4-(4-tert-butylphenyl)-2-methylbenzene;5-tert-butyl-2-(4-tert-butylphenyl)-4-methylpyrimidine;1-tert-butyl-2-ethyl-4-octylbenzene;1-tert-butyl-4-heptyl-2-methylbenzene;1-tert-butyl-4-hexyl-2-methylbenzene;1-tert-butyl-2-methyl-4-[4-(2-methylpropyl)phenyl]benzene;3-tert-butyl-2-methyl-6-[4-(2-methylpropyl)phenyl]pyridine?
The IUPAC name of 1-butyl-4-(4-tert-butylphenyl)benzene;1-tert-butyl-4-(4-tert-butylphenyl)-2-methylbenzene;5-tert-butyl-2-(4-tert-butylphenyl)-4-methylpyrimidine;1-tert-butyl-2-ethyl-4-octylbenzene;1-tert-butyl-4-heptyl-2-methylbenzene;1-tert-butyl-4-hexyl-2-methylbenzene;1-tert-butyl-2-methyl-4-[4-(2-methylpropyl)phenyl]benzene;3-tert-butyl-2-methyl-6-[4-(2-methylpropyl)phenyl]pyridine (CID 158112580) is 1-butyl-4-(4-tert-butylphenyl)benzene;1-tert-butyl-4-(4-tert-butylphenyl)-2-methylbenzene;5-tert-butyl-2-(4-tert-butylphenyl)-4-methylpyrimidine;1-tert-butyl-2-ethyl-4-octylbenzene;1-tert-butyl-4-heptyl-2-methylbenzene;1-tert-butyl-4-hexyl-2-methylbenzene;1-tert-butyl-2-methyl-4-[4-(2-methylpropyl)phenyl]benzene;3-tert-butyl-2-methyl-6-[4-(2-methylpropyl)phenyl]pyridine.
What is the SMILES notation for 1-butyl-4-(4-tert-butylphenyl)benzene;1-tert-butyl-4-(4-tert-butylphenyl)-2-methylbenzene;5-tert-butyl-2-(4-tert-butylphenyl)-4-methylpyrimidine;1-tert-butyl-2-ethyl-4-octylbenzene;1-tert-butyl-4-heptyl-2-methylbenzene;1-tert-butyl-4-hexyl-2-methylbenzene;1-tert-butyl-2-methyl-4-[4-(2-methylpropyl)phenyl]benzene;3-tert-butyl-2-methyl-6-[4-(2-methylpropyl)phenyl]pyridine?
The canonical SMILES for 1-butyl-4-(4-tert-butylphenyl)benzene;1-tert-butyl-4-(4-tert-butylphenyl)-2-methylbenzene;5-tert-butyl-2-(4-tert-butylphenyl)-4-methylpyrimidine;1-tert-butyl-2-ethyl-4-octylbenzene;1-tert-butyl-4-heptyl-2-methylbenzene;1-tert-butyl-4-hexyl-2-methylbenzene;1-tert-butyl-2-methyl-4-[4-(2-methylpropyl)phenyl]benzene;3-tert-butyl-2-methyl-6-[4-(2-methylpropyl)phenyl]pyridine is CCCCCCCCc1ccc(C(C)(C)C)c(CC)c1.CCCCCCCc1ccc(C(C)(C)C)c(C)c1.CCCCCCc1ccc(C(C)(C)C)c(C)c1.CCCCc1ccc(-c2ccc(C(C)(C)C)cc2)cc1.Cc1cc(-c2ccc(C(C)(C)C)cc2)ccc1C(C)(C)C.Cc1cc(-c2ccc(CC(C)C)cc2)ccc1C(C)(C)C.Cc1nc(-c2ccc(C(C)(C)C)cc2)ncc1C(C)(C)C.Cc1nc(-c2ccc(CC(C)C)cc2)ccc1C(C)(C)C.
What is the InChIKey of 1-butyl-4-(4-tert-butylphenyl)benzene;1-tert-butyl-4-(4-tert-butylphenyl)-2-methylbenzene;5-tert-butyl-2-(4-tert-butylphenyl)-4-methylpyrimidine;1-tert-butyl-2-ethyl-4-octylbenzene;1-tert-butyl-4-heptyl-2-methylbenzene;1-tert-butyl-4-hexyl-2-methylbenzene;1-tert-butyl-2-methyl-4-[4-(2-methylpropyl)phenyl]benzene;3-tert-butyl-2-methyl-6-[4-(2-methylpropyl)phenyl]pyridine?
The InChIKey is FQPRAZGTJQETDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C21H28.C20H27N.C20H26.C20H34.C19H26N2.C18H30.C17H28/c1-15-14-17(10-13-19(15)21(5,6)7)16-8-11-18(12-9-16)20(2,3)4;1-15(2)13-17-7-9-18(10-8-17)19-11-12-20(16(3)14-19)21(4,5)6;1-14(2)13-16-7-9-17(10-8-16)19-12-11-18(15(3)21-19)20(4,5)6;1-5-6-7-16-8-10-17(11-9-16)18-12-14-19(15-13-18)20(2,3)4;1-6-8-9-10-11-12-13-17-14-15-19(20(3,4)5)18(7-2)16-17;1-13-16(19(5,6)7)12-20-17(21-13)14-8-10-15(11-9-14)18(2,3)4;1-6-7-8-9-10-11-16-12-13-17(15(2)14-16)18(3,4)5;1-6-7-8-9-10-15-11-12-16(14(2)13-15)17(3,4)5/h8-14H,1-7H3;7-12,14-15H,13H2,1-6H3;7-12,14H,13H2,1-6H3;8-15H,5-7H2,1-4H3;14-16H,6-13H2,1-5H3;8-12H,1-7H3;12-14H,6-11H2,1-5H3;11-13H,6-10H2,1-5H3.
What are the key properties of 1-butyl-4-(4-tert-butylphenyl)benzene;1-tert-butyl-4-(4-tert-butylphenyl)-2-methylbenzene;5-tert-butyl-2-(4-tert-butylphenyl)-4-methylpyrimidine;1-tert-butyl-2-ethyl-4-octylbenzene;1-tert-butyl-4-heptyl-2-methylbenzene;1-tert-butyl-4-hexyl-2-methylbenzene;1-tert-butyl-2-methyl-4-[4-(2-methylpropyl)phenyl]benzene;3-tert-butyl-2-methyl-6-[4-(2-methylpropyl)phenyl]pyridine?
1-butyl-4-(4-tert-butylphenyl)benzene;1-tert-butyl-4-(4-tert-butylphenyl)-2-methylbenzene;5-tert-butyl-2-(4-tert-butylphenyl)-4-methylpyrimidine;1-tert-butyl-2-ethyl-4-octylbenzene;1-tert-butyl-4-heptyl-2-methylbenzene;1-tert-butyl-4-hexyl-2-methylbenzene;1-tert-butyl-2-methyl-4-[4-(2-methylpropyl)phenyl]benzene;3-tert-butyl-2-methyl-6-[4-(2-methylpropyl)phenyl]pyridine has a molecular weight of 2144.55 g/mol, XLogP of 46.68, 31 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4-(4-tert-butylphenyl)benzene;1-tert-butyl-4-(4-tert-butylphenyl)-2-methylbenzene;5-tert-butyl-2-(4-tert-butylphenyl)-4-methylpyrimidine;1-tert-butyl-2-ethyl-4-octylbenzene;1-tert-butyl-4-heptyl-2-methylbenzene;1-tert-butyl-4-hexyl-2-methylbenzene;1-tert-butyl-2-methyl-4-[4-(2-methylpropyl)phenyl]benzene;3-tert-butyl-2-methyl-6-[4-(2-methylpropyl)phenyl]pyridine is sourced from PubChem (CID 158112580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).