1,2,5-tributyl-3-[2-(2,3,5-tributylphenyl)ethyl]benzene

C38H62 — CID 101311557

IUPAC1,2,5-tributyl-3-[2-(2,3,5-tributylphenyl)ethyl]benzene
SMILESCCCCc1cc(CCCC)c(CCCC)c(CCc2cc(CCCC)cc(CCCC)c2CCCC)c1
InChIInChI=1S/C38H62/c1-7-13-19-31-27-33(21-15-9-3)37(23-17-11-5)35(29-31)25-26-36-30-32(20-14-8-2)28-34(22-16-10-4)38(36)24-18-12-6/h27-30H,7-26H2,1-6H3
InChIKeyPWOPPYKMGGHWCD-UHFFFAOYSA-N
MW518.91 g/mol
LogP11.53
Rot. Bonds21

About 1,2,5-tributyl-3-[2-(2,3,5-tributylphenyl)ethyl]benzene

1,2,5-tributyl-3-[2-(2,3,5-tributylphenyl)ethyl]benzene (PubChem CID 101311557) has the molecular formula C38H62 and a molecular weight of 518.91 g/mol. Its IUPAC name is 1,2,5-tributyl-3-[2-(2,3,5-tributylphenyl)ethyl]benzene.

Molecular Properties

Compound Name1,2,5-tributyl-3-[2-(2,3,5-tributylphenyl)ethyl]benzene
PubChem CID101311557
Molecular FormulaC38H62
Molecular Weight518.91 g/mol
Exact Mass518.49
IUPAC Name1,2,5-tributyl-3-[2-(2,3,5-tributylphenyl)ethyl]benzene
SMILESCCCCc1cc(CCCC)c(CCCC)c(CCc2cc(CCCC)cc(CCCC)c2CCCC)c1
InChIInChI=1S/C38H62/c1-7-13-19-31-27-33(21-15-9-3)37(23-17-11-5)35(29-31)25-26-36-30-32(20-14-8-2)28-34(22-16-10-4)38(36)24-18-12-6/h27-30H,7-26H2,1-6H3
InChIKeyPWOPPYKMGGHWCD-UHFFFAOYSA-N
XLogP11.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds21
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.91
LogP ≤ 511.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1,2,5-tributyl-3-[2-(2,3,5-tributylphenyl)ethyl]benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-butyl-1,2,3-tridodecylbenzene
CID 91450595
(2,4,6-tributylphenyl)methanol
CID 21099541
5-ethyl-1,2,3-tri(tetracosyl)benzene
CID 90881176
3,5-dibutyl-2-[(2,4-dibutyl-6-hydroxyphenyl)methyl]phenol
CID 86052181
3,5-dibutyl-2-methylphenol
CID 10285910
3,4,5-tributyl-N,N-dimethylaniline
CID 170058767
2,4,6-tributylphenol;zirconium(2+);dichloride
CID 174692892
1,2,3-tripropyl-5-[2-(3,4,5-tripropylphenyl)ethyl]benzene
CID 101311555
1,2,3,4-tetrabutyl-5-methylbenzene
CID 54311592
4-butyl-2,6-didodecylphenol
CID 66619638
2-butyl-4-[4-(3-butyl-4-methylphenyl)butyl]-1-methylbenzene
CID 123599336
2-butyl-4-pentyl-6-propylphenol
CID 66878895

Frequently Asked Questions

What is the IUPAC name of 1,2,5-tributyl-3-[2-(2,3,5-tributylphenyl)ethyl]benzene?
The IUPAC name of 1,2,5-tributyl-3-[2-(2,3,5-tributylphenyl)ethyl]benzene (CID 101311557) is 1,2,5-tributyl-3-[2-(2,3,5-tributylphenyl)ethyl]benzene.
What is the SMILES notation for 1,2,5-tributyl-3-[2-(2,3,5-tributylphenyl)ethyl]benzene?
The canonical SMILES for 1,2,5-tributyl-3-[2-(2,3,5-tributylphenyl)ethyl]benzene is CCCCc1cc(CCCC)c(CCCC)c(CCc2cc(CCCC)cc(CCCC)c2CCCC)c1.
What is the InChIKey of 1,2,5-tributyl-3-[2-(2,3,5-tributylphenyl)ethyl]benzene?
The InChIKey is PWOPPYKMGGHWCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H62/c1-7-13-19-31-27-33(21-15-9-3)37(23-17-11-5)35(29-31)25-26-36-30-32(20-14-8-2)28-34(22-16-10-4)38(36)24-18-12-6/h27-30H,7-26H2,1-6H3.
What are the key properties of 1,2,5-tributyl-3-[2-(2,3,5-tributylphenyl)ethyl]benzene?
1,2,5-tributyl-3-[2-(2,3,5-tributylphenyl)ethyl]benzene has a molecular weight of 518.91 g/mol, XLogP of 11.53, 21 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,5-tributyl-3-[2-(2,3,5-tributylphenyl)ethyl]benzene is sourced from PubChem (CID 101311557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).