1,2,3-tripropyl-5-[2-(3,4,5-tripropylphenyl)ethyl]benzene

C32H50 — CID 101311555

IUPAC1,2,3-tripropyl-5-[2-(3,4,5-tripropylphenyl)ethyl]benzene
SMILESCCCc1cc(CCc2cc(CCC)c(CCC)c(CCC)c2)cc(CCC)c1CCC
InChIInChI=1S/C32H50/c1-7-13-27-21-25(22-28(14-8-2)31(27)17-11-5)19-20-26-23-29(15-9-3)32(18-12-6)30(24-26)16-10-4/h21-24H,7-20H2,1-6H3
InChIKeyAGEBCLJMQSGZRL-UHFFFAOYSA-N
MW434.75 g/mol
LogP9.19
Rot. Bonds15

About 1,2,3-tripropyl-5-[2-(3,4,5-tripropylphenyl)ethyl]benzene

1,2,3-tripropyl-5-[2-(3,4,5-tripropylphenyl)ethyl]benzene (PubChem CID 101311555) has the molecular formula C32H50 and a molecular weight of 434.75 g/mol. Its IUPAC name is 1,2,3-tripropyl-5-[2-(3,4,5-tripropylphenyl)ethyl]benzene.

Molecular Properties

Compound Name1,2,3-tripropyl-5-[2-(3,4,5-tripropylphenyl)ethyl]benzene
PubChem CID101311555
Molecular FormulaC32H50
Molecular Weight434.75 g/mol
Exact Mass434.39
IUPAC Name1,2,3-tripropyl-5-[2-(3,4,5-tripropylphenyl)ethyl]benzene
SMILESCCCc1cc(CCc2cc(CCC)c(CCC)c(CCC)c2)cc(CCC)c1CCC
InChIInChI=1S/C32H50/c1-7-13-27-21-25(22-28(14-8-2)31(27)17-11-5)19-20-26-23-29(15-9-3)32(18-12-6)30(24-26)16-10-4/h21-24H,7-20H2,1-6H3
InChIKeyAGEBCLJMQSGZRL-UHFFFAOYSA-N
XLogP9.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds15
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.75
LogP ≤ 59.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,2,3-tripropyl-5-[2-(3,4,5-tripropylphenyl)ethyl]benzene?
The IUPAC name of 1,2,3-tripropyl-5-[2-(3,4,5-tripropylphenyl)ethyl]benzene (CID 101311555) is 1,2,3-tripropyl-5-[2-(3,4,5-tripropylphenyl)ethyl]benzene.
What is the SMILES notation for 1,2,3-tripropyl-5-[2-(3,4,5-tripropylphenyl)ethyl]benzene?
The canonical SMILES for 1,2,3-tripropyl-5-[2-(3,4,5-tripropylphenyl)ethyl]benzene is CCCc1cc(CCc2cc(CCC)c(CCC)c(CCC)c2)cc(CCC)c1CCC.
What is the InChIKey of 1,2,3-tripropyl-5-[2-(3,4,5-tripropylphenyl)ethyl]benzene?
The InChIKey is AGEBCLJMQSGZRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H50/c1-7-13-27-21-25(22-28(14-8-2)31(27)17-11-5)19-20-26-23-29(15-9-3)32(18-12-6)30(24-26)16-10-4/h21-24H,7-20H2,1-6H3.
What are the key properties of 1,2,3-tripropyl-5-[2-(3,4,5-tripropylphenyl)ethyl]benzene?
1,2,3-tripropyl-5-[2-(3,4,5-tripropylphenyl)ethyl]benzene has a molecular weight of 434.75 g/mol, XLogP of 9.19, 15 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-tripropyl-5-[2-(3,4,5-tripropylphenyl)ethyl]benzene is sourced from PubChem (CID 101311555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).