1,2,3,4-tetraethylpyrene

C24H26 — CID 123156770

IUPAC1,2,3,4-tetraethylpyrene
SMILESCCc1c(CC)c2ccc3cccc4cc(CC)c(c1CC)c2c34
InChIInChI=1S/C24H26/c1-5-15-14-17-11-9-10-16-12-13-21-19(7-3)18(6-2)20(8-4)23(15)24(21)22(16)17/h9-14H,5-8H2,1-4H3
InChIKeyIXYFNJFECMONJH-UHFFFAOYSA-N
MW314.47 g/mol
LogP6.83
Rot. Bonds4

About 1,2,3,4-tetraethylpyrene

1,2,3,4-tetraethylpyrene (PubChem CID 123156770) has the molecular formula C24H26 and a molecular weight of 314.47 g/mol. Its IUPAC name is 1,2,3,4-tetraethylpyrene.

Molecular Properties

Compound Name1,2,3,4-tetraethylpyrene
PubChem CID123156770
Molecular FormulaC24H26
Molecular Weight314.47 g/mol
Exact Mass314.20
IUPAC Name1,2,3,4-tetraethylpyrene
SMILESCCc1c(CC)c2ccc3cccc4cc(CC)c(c1CC)c2c34
InChIInChI=1S/C24H26/c1-5-15-14-17-11-9-10-16-12-13-21-19(7-3)18(6-2)20(8-4)23(15)24(21)22(16)17/h9-14H,5-8H2,1-4H3
InChIKeyIXYFNJFECMONJH-UHFFFAOYSA-N
XLogP6.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.47
LogP ≤ 56.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

1,2,3,4-tetraoctylpyrene
CID 149434411
1-ethylpyrene;methane
CID 142201759
1-ethylpyrene;propane
CID 144711239
[1-(hydroxymethyl)pyren-2-yl]methanol
CID 54570957
1-ethylnaphthalene;pyrene
CID 174849884
2,3-diethylaniline;pyrene
CID 18406401
4-ethyl-3-pyren-1-ylaniline
CID 163459377
19-ethyl-18-(2-ethylpyren-1-yl)-21,21-dimethylpentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene
CID 91022615
azane;propane;pyrene
CID 87370632
1-ethyl-2,7-dimethylpyrene
CID 151632045
7,10-diethyl-8-naphthalen-1-ylfluoranthene
CID 13193577
[1-(chloromethyl)pyren-2-yl]-dimethylsilane
CID 154394398

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-tetraethylpyrene?
The IUPAC name of 1,2,3,4-tetraethylpyrene (CID 123156770) is 1,2,3,4-tetraethylpyrene.
What is the SMILES notation for 1,2,3,4-tetraethylpyrene?
The canonical SMILES for 1,2,3,4-tetraethylpyrene is CCc1c(CC)c2ccc3cccc4cc(CC)c(c1CC)c2c34.
What is the InChIKey of 1,2,3,4-tetraethylpyrene?
The InChIKey is IXYFNJFECMONJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26/c1-5-15-14-17-11-9-10-16-12-13-21-19(7-3)18(6-2)20(8-4)23(15)24(21)22(16)17/h9-14H,5-8H2,1-4H3.
What are the key properties of 1,2,3,4-tetraethylpyrene?
1,2,3,4-tetraethylpyrene has a molecular weight of 314.47 g/mol, XLogP of 6.83, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4-tetraethylpyrene is sourced from PubChem (CID 123156770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).