1-ethylnaphthalene;pyrene

C28H22 — CID 174849884

IUPAC1-ethylnaphthalene;pyrene
SMILESCCc1cccc2ccccc12.c1cc2ccc3cccc4ccc(c1)c2c34
InChIInChI=1S/C16H10.C12H12/c1-3-11-7-9-13-5-2-6-14-10-8-12(4-1)15(11)16(13)14;1-2-10-7-5-8-11-6-3-4-9-12(10)11/h1-10H;3-9H,2H2,1H3
InChIKeyGYWQQSHZDZMTLG-UHFFFAOYSA-N
MW358.48 g/mol
LogP7.99
Rot. Bonds1

About 1-ethylnaphthalene;pyrene

1-ethylnaphthalene;pyrene (PubChem CID 174849884) has the molecular formula C28H22 and a molecular weight of 358.48 g/mol. Its IUPAC name is 1-ethylnaphthalene;pyrene.

Molecular Properties

Compound Name1-ethylnaphthalene;pyrene
PubChem CID174849884
Molecular FormulaC28H22
Molecular Weight358.48 g/mol
Exact Mass358.17
IUPAC Name1-ethylnaphthalene;pyrene
SMILESCCc1cccc2ccccc12.c1cc2ccc3cccc4ccc(c1)c2c34
InChIInChI=1S/C16H10.C12H12/c1-3-11-7-9-13-5-2-6-14-10-8-12(4-1)15(11)16(13)14;1-2-10-7-5-8-11-6-3-4-9-12(10)11/h1-10H;3-9H,2H2,1H3
InChIKeyGYWQQSHZDZMTLG-UHFFFAOYSA-N
XLogP7.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.48
LogP ≤ 57.99
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

azane;1-ethylnaphthalene
CID 19048185
sodium;1-ethylnaphthalene;hydride
CID 174300793
1-ethylpyrene;methane
CID 142201759
1-ethylpyrene;propane
CID 144711239
1,2-dimethylnaphthalene;1-ethylnaphthalene
CID 158986916
1-ethylnaphthalene;methylcyclopropane
CID 142069670
sodium;1-ethylnaphthalene;phenoxide
CID 159168482
1-ethylnaphthalene;1-phenylnaphthalene
CID 173023243
phenanthrene;pyrene;triphenylene
CID 162115949
1-ethylnaphthalene;N-prop-1-en-2-ylprop-1-en-2-amine
CID 142138952
2-ethyl-1-(2-ethylnaphthalen-1-yl)oxynaphthalene
CID 23191166
(8-ethylnaphthalen-1-yl)methanol
CID 59514335

Frequently Asked Questions

What is the IUPAC name of 1-ethylnaphthalene;pyrene?
The IUPAC name of 1-ethylnaphthalene;pyrene (CID 174849884) is 1-ethylnaphthalene;pyrene.
What is the SMILES notation for 1-ethylnaphthalene;pyrene?
The canonical SMILES for 1-ethylnaphthalene;pyrene is CCc1cccc2ccccc12.c1cc2ccc3cccc4ccc(c1)c2c34.
What is the InChIKey of 1-ethylnaphthalene;pyrene?
The InChIKey is GYWQQSHZDZMTLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10.C12H12/c1-3-11-7-9-13-5-2-6-14-10-8-12(4-1)15(11)16(13)14;1-2-10-7-5-8-11-6-3-4-9-12(10)11/h1-10H;3-9H,2H2,1H3.
What are the key properties of 1-ethylnaphthalene;pyrene?
1-ethylnaphthalene;pyrene has a molecular weight of 358.48 g/mol, XLogP of 7.99, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylnaphthalene;pyrene is sourced from PubChem (CID 174849884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).