2,7-dipentylpyrene

C26H30 — CID 174968466

IUPAC2,7-dipentylpyrene
SMILESCCCCCc1cc2ccc3cc(CCCCC)cc4ccc(c1)c2c34
InChIInChI=1S/C26H30/c1-3-5-7-9-19-15-21-11-13-23-17-20(10-8-6-4-2)18-24-14-12-22(16-19)25(21)26(23)24/h11-18H,3-10H2,1-2H3
InChIKeyQCQFEZBDWXXIIL-UHFFFAOYSA-N
MW342.53 g/mol
LogP8.05
Rot. Bonds8

About 2,7-dipentylpyrene

2,7-dipentylpyrene (PubChem CID 174968466) has the molecular formula C26H30 and a molecular weight of 342.53 g/mol. Its IUPAC name is 2,7-dipentylpyrene.

Molecular Properties

Compound Name2,7-dipentylpyrene
PubChem CID174968466
Molecular FormulaC26H30
Molecular Weight342.53 g/mol
Exact Mass342.23
IUPAC Name2,7-dipentylpyrene
SMILESCCCCCc1cc2ccc3cc(CCCCC)cc4ccc(c1)c2c34
InChIInChI=1S/C26H30/c1-3-5-7-9-19-15-21-11-13-23-17-20(10-8-6-4-2)18-24-14-12-22(16-19)25(21)26(23)24/h11-18H,3-10H2,1-2H3
InChIKeyQCQFEZBDWXXIIL-UHFFFAOYSA-N
XLogP8.05
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 ≤ 58.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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6-pentylphthalazine
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CID 58232616
trimethyl-(6-pentylnaphthalen-2-yl)silane
CID 132535559
[4-[4-(6-hexylnaphthalen-2-yl)phenyl]phenyl]methanamine
CID 150718553
6,18-dihexyl-12-selenapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
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1-ethyl-3,5-di(tetradecyl)benzene
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Frequently Asked Questions

What is the IUPAC name of 2,7-dipentylpyrene?
The IUPAC name of 2,7-dipentylpyrene (CID 174968466) is 2,7-dipentylpyrene.
What is the SMILES notation for 2,7-dipentylpyrene?
The canonical SMILES for 2,7-dipentylpyrene is CCCCCc1cc2ccc3cc(CCCCC)cc4ccc(c1)c2c34.
What is the InChIKey of 2,7-dipentylpyrene?
The InChIKey is QCQFEZBDWXXIIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30/c1-3-5-7-9-19-15-21-11-13-23-17-20(10-8-6-4-2)18-24-14-12-22(16-19)25(21)26(23)24/h11-18H,3-10H2,1-2H3.
What are the key properties of 2,7-dipentylpyrene?
2,7-dipentylpyrene has a molecular weight of 342.53 g/mol, XLogP of 8.05, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dipentylpyrene is sourced from PubChem (CID 174968466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).