1,4-dibutyl-2-ethyl-5-(2-phenylphenyl)benzene

C28H34 — CID 174571021

IUPAC1,4-dibutyl-2-ethyl-5-(2-phenylphenyl)benzene
SMILESCCCCc1cc(-c2ccccc2-c2ccccc2)c(CCCC)cc1CC
InChIInChI=1S/C28H34/c1-4-7-14-24-21-28(25(15-8-5-2)20-22(24)6-3)27-19-13-12-18-26(27)23-16-10-9-11-17-23/h9-13,16-21H,4-8,14-15H2,1-3H3
InChIKeyPPVQWCOKLFLAFL-UHFFFAOYSA-N
MW370.58 g/mol
LogP8.27
Rot. Bonds9

About 1,4-dibutyl-2-ethyl-5-(2-phenylphenyl)benzene

1,4-dibutyl-2-ethyl-5-(2-phenylphenyl)benzene (PubChem CID 174571021) has the molecular formula C28H34 and a molecular weight of 370.58 g/mol. Its IUPAC name is 1,4-dibutyl-2-ethyl-5-(2-phenylphenyl)benzene.

Molecular Properties

Compound Name1,4-dibutyl-2-ethyl-5-(2-phenylphenyl)benzene
PubChem CID174571021
Molecular FormulaC28H34
Molecular Weight370.58 g/mol
Exact Mass370.27
IUPAC Name1,4-dibutyl-2-ethyl-5-(2-phenylphenyl)benzene
SMILESCCCCc1cc(-c2ccccc2-c2ccccc2)c(CCCC)cc1CC
InChIInChI=1S/C28H34/c1-4-7-14-24-21-28(25(15-8-5-2)20-22(24)6-3)27-19-13-12-18-26(27)23-16-10-9-11-17-23/h9-13,16-21H,4-8,14-15H2,1-3H3
InChIKeyPPVQWCOKLFLAFL-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-butyl-2-phenylbenzene;chlorosilane
CID 157433440
1-butyl-2-phenylbenzene;dihydroxy(oxo)phosphanium
CID 174532098
2,3-diethylbiphenylene
CID 134993289
2-(3-butyl-4-phenylphenyl)phenol
CID 174552804
1-bromo-4-[4-[4-[4-[4-[4-[2,5-dihexyl-4-(4-phenylphenyl)phenyl]phenyl]-2,5-dihexylphenyl]phenyl]-2,5-dihexylphenyl]phenyl]-2,5-dihexylbenzene
CID 169036195
gold;1-pentyl-2-phenylbenzene
CID 174945702
1,2-dibutyl-3,5-diphenylbenzene
CID 174699980
carbonic acid;1-hexyl-2-phenylbenzene
CID 67180533
4,7-dibutyl-5-phenyl-1,3-dihydro-2-benzofuran
CID 70876576
carbonic acid;1-ethyl-2-(2-phenylphenyl)benzene
CID 67179432
3-hexyl-6-(2-phenylphenyl)phthalaldehyde
CID 154432223
formonitrile;1-pentyl-2-phenylbenzene
CID 67877805

Frequently Asked Questions

What is the IUPAC name of 1,4-dibutyl-2-ethyl-5-(2-phenylphenyl)benzene?
The IUPAC name of 1,4-dibutyl-2-ethyl-5-(2-phenylphenyl)benzene (CID 174571021) is 1,4-dibutyl-2-ethyl-5-(2-phenylphenyl)benzene.
What is the SMILES notation for 1,4-dibutyl-2-ethyl-5-(2-phenylphenyl)benzene?
The canonical SMILES for 1,4-dibutyl-2-ethyl-5-(2-phenylphenyl)benzene is CCCCc1cc(-c2ccccc2-c2ccccc2)c(CCCC)cc1CC.
What is the InChIKey of 1,4-dibutyl-2-ethyl-5-(2-phenylphenyl)benzene?
The InChIKey is PPVQWCOKLFLAFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34/c1-4-7-14-24-21-28(25(15-8-5-2)20-22(24)6-3)27-19-13-12-18-26(27)23-16-10-9-11-17-23/h9-13,16-21H,4-8,14-15H2,1-3H3.
What are the key properties of 1,4-dibutyl-2-ethyl-5-(2-phenylphenyl)benzene?
1,4-dibutyl-2-ethyl-5-(2-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 1,4-dibutyl-2-ethyl-5-(2-phenylphenyl)benzene is sourced from PubChem (CID 174571021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).