anthracen-9-yl(triethyl)azanium

C20H24N+ — CID 118566320

IUPACanthracen-9-yl(triethyl)azanium
SMILESCC[N+](CC)(CC)c1c2ccccc2cc2ccccc12
InChIInChI=1S/C20H24N/c1-4-21(5-2,6-3)20-18-13-9-7-11-16(18)15-17-12-8-10-14-19(17)20/h7-15H,4-6H2,1-3H3/q+1
InChIKeyLLGNWCHRHPNFAM-UHFFFAOYSA-N
MW278.42 g/mol
LogP5.36
Rot. Bonds4

About anthracen-9-yl(triethyl)azanium

anthracen-9-yl(triethyl)azanium (PubChem CID 118566320) has the molecular formula C20H24N+ and a molecular weight of 278.42 g/mol. Its IUPAC name is anthracen-9-yl(triethyl)azanium.

Molecular Properties

Compound Nameanthracen-9-yl(triethyl)azanium
PubChem CID118566320
Molecular FormulaC20H24N+
Molecular Weight278.42 g/mol
Exact Mass278.19
IUPAC Nameanthracen-9-yl(triethyl)azanium
SMILESCC[N+](CC)(CC)c1c2ccccc2cc2ccccc12
InChIInChI=1S/C20H24N/c1-4-21(5-2,6-3)20-18-13-9-7-11-16(18)15-17-12-8-10-14-19(17)20/h7-15H,4-6H2,1-3H3/q+1
InChIKeyLLGNWCHRHPNFAM-UHFFFAOYSA-N
XLogP5.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.42
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

2-ethylsulfanylphenanthrene
CID 54274557
pentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene
CID 160736098
9-(anthracen-9-ylmethyl)anthracene;ethane
CID 91026872
9-(ethylsulfanylmethoxymethyl)anthracene
CID 101098326
9,10-dimethylanthracene;bis(9-methylanthracene)
CID 159714317
tris(naphtho[1,2-b]phenanthrene);bis(pentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene)
CID 160566024
9-methylanthracene;naphthalene
CID 142881908
ethane;naphthalene;propane
CID 158972865
phenanthrene;sulfane
CID 159172584
2-(anthracene-9-carbonylamino)ethyl-triethylazanium
CID 118566323
naphtho[1,2-b]phenanthrene
CID 5889
anthracene;naphthalene;phenanthrene
CID 158591187

Frequently Asked Questions

What is the IUPAC name of anthracen-9-yl(triethyl)azanium?
The IUPAC name of anthracen-9-yl(triethyl)azanium (CID 118566320) is anthracen-9-yl(triethyl)azanium.
What is the SMILES notation for anthracen-9-yl(triethyl)azanium?
The canonical SMILES for anthracen-9-yl(triethyl)azanium is CC[N+](CC)(CC)c1c2ccccc2cc2ccccc12.
What is the InChIKey of anthracen-9-yl(triethyl)azanium?
The InChIKey is LLGNWCHRHPNFAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N/c1-4-21(5-2,6-3)20-18-13-9-7-11-16(18)15-17-12-8-10-14-19(17)20/h7-15H,4-6H2,1-3H3/q+1.
What are the key properties of anthracen-9-yl(triethyl)azanium?
anthracen-9-yl(triethyl)azanium has a molecular weight of 278.42 g/mol, XLogP of 5.36, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for anthracen-9-yl(triethyl)azanium is sourced from PubChem (CID 118566320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).