trimethyl(pyren-1-yl)azanium

C19H18N+ — CID 86127738

IUPACtrimethyl(pyren-1-yl)azanium
SMILESC[N+](C)(C)c1ccc2ccc3cccc4ccc1c2c34
InChIInChI=1S/C19H18N/c1-20(2,3)17-12-10-15-8-7-13-5-4-6-14-9-11-16(17)19(15)18(13)14/h4-12H,1-3H3/q+1
InChIKeyUGRLOXJTGBLEBI-UHFFFAOYSA-N
MW260.36 g/mol
LogP4.78
Rot. Bonds1

About trimethyl(pyren-1-yl)azanium

trimethyl(pyren-1-yl)azanium (PubChem CID 86127738) has the molecular formula C19H18N+ and a molecular weight of 260.36 g/mol. Its IUPAC name is trimethyl(pyren-1-yl)azanium.

Molecular Properties

Compound Nametrimethyl(pyren-1-yl)azanium
PubChem CID86127738
Molecular FormulaC19H18N+
Molecular Weight260.36 g/mol
Exact Mass260.14
IUPAC Nametrimethyl(pyren-1-yl)azanium
SMILESC[N+](C)(C)c1ccc2ccc3cccc4ccc1c2c34
InChIInChI=1S/C19H18N/c1-20(2,3)17-12-10-15-8-7-13-5-4-6-14-9-11-16(17)19(15)18(13)14/h4-12H,1-3H3/q+1
InChIKeyUGRLOXJTGBLEBI-UHFFFAOYSA-N
XLogP4.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

1-phosphorosopyrene
CID 153323865
1,8-di(pyren-1-yl)pyrene
CID 58915622
benzo[e]pyrene
CID 9128
pyrene;dihydrobromide
CID 172822251
pyrene;zirconium
CID 175873743
decacyclo[19.13.1.122,26.02,7.03,20.04,17.05,14.06,11.031,35.030,36]hexatriaconta-1(34),2,4(17),5(14),6(11),7,9,12,15,18,20,22,24,26(36),27,29,31(35),32-octadecaene
CID 14087516
nonacyclo[14.14.2.02,15.03,12.04,9.05,30.020,32.021,26.027,31]dotriaconta-1(30),2(15),3(12),4(9),5,7,10,13,16,18,20(32),21,23,25,27(31),28-hexadecaene
CID 21087978
pyren-1-amine
CID 15352
heptadecacyclo[28.20.2.22,5.26,9.231,34.110,14.135,39.03,26.04,23.07,22.08,19.027,51.032,47.033,44.048,52.018,56.043,53]hexaconta-1(51),2,4,6,8,10,12,14(56),15,17,19,21,23,25,27,29,31(55),32(47),33(44),34(54),35,37,39(53),40,42,45,48(52),49,57,59-triacontaene
CID 86057292
pyrene;1,3-xylene
CID 174892551
1-ethylpyrene;methane
CID 142201759
chrysene;icosakis(2-methylpropane);perylene;phenanthrene;pyrene;triphenylene
CID 162052721

Frequently Asked Questions

What is the IUPAC name of trimethyl(pyren-1-yl)azanium?
The IUPAC name of trimethyl(pyren-1-yl)azanium (CID 86127738) is trimethyl(pyren-1-yl)azanium.
What is the SMILES notation for trimethyl(pyren-1-yl)azanium?
The canonical SMILES for trimethyl(pyren-1-yl)azanium is C[N+](C)(C)c1ccc2ccc3cccc4ccc1c2c34.
What is the InChIKey of trimethyl(pyren-1-yl)azanium?
The InChIKey is UGRLOXJTGBLEBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N/c1-20(2,3)17-12-10-15-8-7-13-5-4-6-14-9-11-16(17)19(15)18(13)14/h4-12H,1-3H3/q+1.
What are the key properties of trimethyl(pyren-1-yl)azanium?
trimethyl(pyren-1-yl)azanium has a molecular weight of 260.36 g/mol, XLogP of 4.78, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl(pyren-1-yl)azanium is sourced from PubChem (CID 86127738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).