1,4-dibutyl-2,5-bis[4-(2-ethyl-4-methylphenyl)phenyl]benzene

C44H50 — CID 155761642

IUPAC1,4-dibutyl-2,5-bis[4-(2-ethyl-4-methylphenyl)phenyl]benzene
SMILESCCCCc1cc(-c2ccc(-c3ccc(C)cc3CC)cc2)c(CCCC)cc1-c1ccc(-c2ccc(C)cc2CC)cc1
InChIInChI=1S/C44H50/c1-7-11-13-39-29-44(38-23-19-36(20-24-38)42-26-16-32(6)28-34(42)10-4)40(14-12-8-2)30-43(39)37-21-17-35(18-22-37)41-25-15-31(5)27-33(41)9-3/h15-30H,7-14H2,1-6H3
InChIKeyZKQALJHAVIVREP-UHFFFAOYSA-N
MW578.88 g/mol
LogP12.78
Rot. Bonds12

About 1,4-dibutyl-2,5-bis[4-(2-ethyl-4-methylphenyl)phenyl]benzene

1,4-dibutyl-2,5-bis[4-(2-ethyl-4-methylphenyl)phenyl]benzene (PubChem CID 155761642) has the molecular formula C44H50 and a molecular weight of 578.88 g/mol. Its IUPAC name is 1,4-dibutyl-2,5-bis[4-(2-ethyl-4-methylphenyl)phenyl]benzene.

Molecular Properties

Compound Name1,4-dibutyl-2,5-bis[4-(2-ethyl-4-methylphenyl)phenyl]benzene
PubChem CID155761642
Molecular FormulaC44H50
Molecular Weight578.88 g/mol
Exact Mass578.39
IUPAC Name1,4-dibutyl-2,5-bis[4-(2-ethyl-4-methylphenyl)phenyl]benzene
SMILESCCCCc1cc(-c2ccc(-c3ccc(C)cc3CC)cc2)c(CCCC)cc1-c1ccc(-c2ccc(C)cc2CC)cc1
InChIInChI=1S/C44H50/c1-7-11-13-39-29-44(38-23-19-36(20-24-38)42-26-16-32(6)28-34(42)10-4)40(14-12-8-2)30-43(39)37-21-17-35(18-22-37)41-25-15-31(5)27-33(41)9-3/h15-30H,7-14H2,1-6H3
InChIKeyZKQALJHAVIVREP-UHFFFAOYSA-N
XLogP12.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500578.88
LogP ≤ 512.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,4-bis[4-(2,4-dimethylphenyl)phenyl]-2,5-dihexylbenzene;1-[4-(2,4-dimethylphenyl)phenyl]-2,5-dihexyl-4-[4-(4-methylphenyl)phenyl]benzene;1-[4-(2,4-dimethylphenyl)phenyl]-4-[4-(4-methylphenyl)phenyl]-2,5-dipentylbenzene;1-[4-(2-ethyl-4-methylphenyl)phenyl]-4-[4-(4-methylphenyl)phenyl]-2,5-dipentylbenzene
CID 159383327
1,4-bis(4-methylphenyl)-2,5-dipropylbenzene
CID 59821666
1-butyl-2-(4-methylphenyl)benzene
CID 58626581
1-(4-butylphenyl)-4-[4-[(E)-1,2-difluoro-2-(4-methylphenyl)ethenyl]phenyl]-2-ethylbenzene
CID 67950330
4-[2,5-dihexyl-4-[2-methyl-4-[N-(3-methylphenyl)-4-(4-methylphenyl)anilino]phenyl]phenyl]-3-methyl-N-(3-methylphenyl)-N-[4-(4-methylphenyl)phenyl]aniline;3-ethyl-N-[4-[4-[4-[N-[3-ethyl-4-(4-octylphenyl)phenyl]-4-(4-methylphenyl)anilino]phenyl]-2,5-dihexylphenyl]phenyl]-N-[4-(4-methylphenyl)phenyl]-4-(4-octylphenyl)aniline
CID 157408335
2-ethyl-1-hexyl-4-methylbenzene
CID 155704456
1-methyl-4-[4-(4-methylphenyl)phenyl]-2,5-dipropylbenzene
CID 59821643
3-[3-ethyl-4-[3-ethyl-4-(4-methylphenyl)phenyl]phenyl]propan-1-ol
CID 118150545
2-[3-heptyl-4-(4-methylphenyl)phenyl]-7-methyl-9,9-dioctylfluorene
CID 58720499
2-(2,5-dihexyl-4-methylphenyl)-6-methylnaphthalene;methane
CID 157345850
1,4-dibutyl-2-ethyl-5-(2-phenylphenyl)benzene
CID 174571021
N-(4-bromophenyl)-4-cyclohexa-1,5-dien-1-yl-N-[4-[2-ethyl-4-[4-[3-ethyl-4-(4-methylphenyl)phenyl]-2,5-dihexylphenyl]phenyl]phenyl]aniline
CID 143809636

Frequently Asked Questions

What is the IUPAC name of 1,4-dibutyl-2,5-bis[4-(2-ethyl-4-methylphenyl)phenyl]benzene?
The IUPAC name of 1,4-dibutyl-2,5-bis[4-(2-ethyl-4-methylphenyl)phenyl]benzene (CID 155761642) is 1,4-dibutyl-2,5-bis[4-(2-ethyl-4-methylphenyl)phenyl]benzene.
What is the SMILES notation for 1,4-dibutyl-2,5-bis[4-(2-ethyl-4-methylphenyl)phenyl]benzene?
The canonical SMILES for 1,4-dibutyl-2,5-bis[4-(2-ethyl-4-methylphenyl)phenyl]benzene is CCCCc1cc(-c2ccc(-c3ccc(C)cc3CC)cc2)c(CCCC)cc1-c1ccc(-c2ccc(C)cc2CC)cc1.
What is the InChIKey of 1,4-dibutyl-2,5-bis[4-(2-ethyl-4-methylphenyl)phenyl]benzene?
The InChIKey is ZKQALJHAVIVREP-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H50/c1-7-11-13-39-29-44(38-23-19-36(20-24-38)42-26-16-32(6)28-34(42)10-4)40(14-12-8-2)30-43(39)37-21-17-35(18-22-37)41-25-15-31(5)27-33(41)9-3/h15-30H,7-14H2,1-6H3.
What are the key properties of 1,4-dibutyl-2,5-bis[4-(2-ethyl-4-methylphenyl)phenyl]benzene?
1,4-dibutyl-2,5-bis[4-(2-ethyl-4-methylphenyl)phenyl]benzene has a molecular weight of 578.88 g/mol, XLogP of 12.78, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dibutyl-2,5-bis[4-(2-ethyl-4-methylphenyl)phenyl]benzene is sourced from PubChem (CID 155761642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).