1,3-dibutyl-2-ethyl-4-(4-phenylphenyl)benzene

C28H34 — CID 150071734

IUPAC1,3-dibutyl-2-ethyl-4-(4-phenylphenyl)benzene
SMILESCCCCc1ccc(-c2ccc(-c3ccccc3)cc2)c(CCCC)c1CC
InChIInChI=1S/C28H34/c1-4-7-12-24-20-21-27(28(15-8-5-2)26(24)6-3)25-18-16-23(17-19-25)22-13-10-9-11-14-22/h9-11,13-14,16-21H,4-8,12,15H2,1-3H3
InChIKeyDPKSTWVYJAWDPA-UHFFFAOYSA-N
MW370.58 g/mol
LogP8.27
Rot. Bonds9

About 1,3-dibutyl-2-ethyl-4-(4-phenylphenyl)benzene

1,3-dibutyl-2-ethyl-4-(4-phenylphenyl)benzene (PubChem CID 150071734) has the molecular formula C28H34 and a molecular weight of 370.58 g/mol. Its IUPAC name is 1,3-dibutyl-2-ethyl-4-(4-phenylphenyl)benzene.

Molecular Properties

Compound Name1,3-dibutyl-2-ethyl-4-(4-phenylphenyl)benzene
PubChem CID150071734
Molecular FormulaC28H34
Molecular Weight370.58 g/mol
Exact Mass370.27
IUPAC Name1,3-dibutyl-2-ethyl-4-(4-phenylphenyl)benzene
SMILESCCCCc1ccc(-c2ccc(-c3ccccc3)cc2)c(CCCC)c1CC
InChIInChI=1S/C28H34/c1-4-7-12-24-20-21-27(28(15-8-5-2)26(24)6-3)25-18-16-23(17-19-25)22-13-10-9-11-14-22/h9-11,13-14,16-21H,4-8,12,15H2,1-3H3
InChIKeyDPKSTWVYJAWDPA-UHFFFAOYSA-N
XLogP8.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.58
LogP ≤ 58.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,2-dibutyl-3,5-diphenylbenzene
CID 174699980
2,3-diethyl-1,4-diphenylbenzene
CID 59383229
3-butyl-2-methyl-4-phenylphenol
CID 68552702
1,2,3,4-tetrabutylbenzene
CID 11220391
2-methyl-1-pentyl-4-[4-(4-pentylphenyl)phenyl]-3-phenylbenzene
CID 19007996
1,2-di(nonyl)-3-phenylbenzene;phosphonous acid
CID 70527839
1,3-dibutyl-2-ethylbenzene
CID 22713046
1-butyl-2-(4-methylphenyl)benzene
CID 58626581
ethoxyethane;1,2,3-triethyl-4-phenylbenzene
CID 66697424
2,6-diethyl-3-phenylphenol
CID 101302345
1-butyl-2-phenylbenzene;chlorosilane
CID 157433440
(2-octyl-6-phenylphenyl)methanamine;hydrochloride
CID 118513340

Frequently Asked Questions

What is the IUPAC name of 1,3-dibutyl-2-ethyl-4-(4-phenylphenyl)benzene?
The IUPAC name of 1,3-dibutyl-2-ethyl-4-(4-phenylphenyl)benzene (CID 150071734) is 1,3-dibutyl-2-ethyl-4-(4-phenylphenyl)benzene.
What is the SMILES notation for 1,3-dibutyl-2-ethyl-4-(4-phenylphenyl)benzene?
The canonical SMILES for 1,3-dibutyl-2-ethyl-4-(4-phenylphenyl)benzene is CCCCc1ccc(-c2ccc(-c3ccccc3)cc2)c(CCCC)c1CC.
What is the InChIKey of 1,3-dibutyl-2-ethyl-4-(4-phenylphenyl)benzene?
The InChIKey is DPKSTWVYJAWDPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34/c1-4-7-12-24-20-21-27(28(15-8-5-2)26(24)6-3)25-18-16-23(17-19-25)22-13-10-9-11-14-22/h9-11,13-14,16-21H,4-8,12,15H2,1-3H3.
What are the key properties of 1,3-dibutyl-2-ethyl-4-(4-phenylphenyl)benzene?
1,3-dibutyl-2-ethyl-4-(4-phenylphenyl)benzene has a molecular weight of 370.58 g/mol, XLogP of 8.27, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dibutyl-2-ethyl-4-(4-phenylphenyl)benzene is sourced from PubChem (CID 150071734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).