1,2-dibutyl-3,5-diphenylbenzene

C26H30 — CID 174699980

IUPAC1,2-dibutyl-3,5-diphenylbenzene
SMILESCCCCc1cc(-c2ccccc2)cc(-c2ccccc2)c1CCCC
InChIInChI=1S/C26H30/c1-3-5-13-23-19-24(21-14-9-7-10-15-21)20-26(25(23)18-6-4-2)22-16-11-8-12-17-22/h7-12,14-17,19-20H,3-6,13,18H2,1-2H3
InChIKeyUFAUBWKEEQQXJJ-UHFFFAOYSA-N
MW342.53 g/mol
LogP7.71
Rot. Bonds8

About 1,2-dibutyl-3,5-diphenylbenzene

1,2-dibutyl-3,5-diphenylbenzene (PubChem CID 174699980) has the molecular formula C26H30 and a molecular weight of 342.53 g/mol. Its IUPAC name is 1,2-dibutyl-3,5-diphenylbenzene.

Molecular Properties

Compound Name1,2-dibutyl-3,5-diphenylbenzene
PubChem CID174699980
Molecular FormulaC26H30
Molecular Weight342.53 g/mol
Exact Mass342.23
IUPAC Name1,2-dibutyl-3,5-diphenylbenzene
SMILESCCCCc1cc(-c2ccccc2)cc(-c2ccccc2)c1CCCC
InChIInChI=1S/C26H30/c1-3-5-13-23-19-24(21-14-9-7-10-15-21)20-26(25(23)18-6-4-2)22-16-11-8-12-17-22/h7-12,14-17,19-20H,3-6,13,18H2,1-2H3
InChIKeyUFAUBWKEEQQXJJ-UHFFFAOYSA-N
XLogP7.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.53
LogP ≤ 57.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,3-dibutyl-2-ethyl-4-(4-phenylphenyl)benzene
CID 150071734
2-benzyl-3-butyl-5-phenylphenol
CID 122215944
4,7-dibutyl-5-phenyl-1,3-dihydro-2-benzofuran
CID 70876576
(2-ethyl-3,5-diphenylphenyl)methanol
CID 172831551
2-butyl-4-phenylaniline
CID 24835781
1,3-dibutyl-5-[4-(3,5-dibutylphenyl)phenyl]-2-[4-(4-phenylphenyl)phenyl]benzene
CID 90856384
2,5-dibutyl-3-phenylphenol
CID 122215941
1-butyl-2-phenylbenzene;chlorosilane
CID 157433440
1-N-(3-butyl-4,5-dihexylphenyl)-2-N-(3-butyl-4-octyl-5-phenylphenyl)butane-1,2-diimine
CID 87964233
2-(3,5-dibutyl-4-ethylphenyl)ethenyl-(3,4-dibutyl-5-phenylphenyl)diazene
CID 87818999
2-(3-butyl-4-phenylphenyl)phenol
CID 174552804
1-(4-butylphenyl)-3-(3,5-diphenylphenyl)-5-phenylbenzene
CID 142551744

Frequently Asked Questions

What is the IUPAC name of 1,2-dibutyl-3,5-diphenylbenzene?
The IUPAC name of 1,2-dibutyl-3,5-diphenylbenzene (CID 174699980) is 1,2-dibutyl-3,5-diphenylbenzene.
What is the SMILES notation for 1,2-dibutyl-3,5-diphenylbenzene?
The canonical SMILES for 1,2-dibutyl-3,5-diphenylbenzene is CCCCc1cc(-c2ccccc2)cc(-c2ccccc2)c1CCCC.
What is the InChIKey of 1,2-dibutyl-3,5-diphenylbenzene?
The InChIKey is UFAUBWKEEQQXJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30/c1-3-5-13-23-19-24(21-14-9-7-10-15-21)20-26(25(23)18-6-4-2)22-16-11-8-12-17-22/h7-12,14-17,19-20H,3-6,13,18H2,1-2H3.
What are the key properties of 1,2-dibutyl-3,5-diphenylbenzene?
1,2-dibutyl-3,5-diphenylbenzene has a molecular weight of 342.53 g/mol, XLogP of 7.71, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dibutyl-3,5-diphenylbenzene is sourced from PubChem (CID 174699980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).