benzo[h]quinolin-7-yl(trimethyl)phosphanium

C16H17NP+ — CID 59782114

IUPACbenzo[h]quinolin-7-yl(trimethyl)phosphanium
SMILESC[P+](C)(C)c1cccc2c1ccc1cccnc12
InChIInChI=1S/C16H17NP/c1-18(2,3)15-8-4-7-14-13(15)10-9-12-6-5-11-17-16(12)14/h4-11H,1-3H3/q+1
InChIKeyJDXWTXUODKZJNQ-UHFFFAOYSA-N
MW254.29 g/mol
LogP3.92
Rot. Bonds1

About benzo[h]quinolin-7-yl(trimethyl)phosphanium

benzo[h]quinolin-7-yl(trimethyl)phosphanium (PubChem CID 59782114) has the molecular formula C16H17NP+ and a molecular weight of 254.29 g/mol. Its IUPAC name is benzo[h]quinolin-7-yl(trimethyl)phosphanium.

Molecular Properties

Compound Namebenzo[h]quinolin-7-yl(trimethyl)phosphanium
PubChem CID59782114
Molecular FormulaC16H17NP+
Molecular Weight254.29 g/mol
Exact Mass254.11
IUPAC Namebenzo[h]quinolin-7-yl(trimethyl)phosphanium
SMILESC[P+](C)(C)c1cccc2c1ccc1cccnc12
InChIInChI=1S/C16H17NP/c1-18(2,3)15-8-4-7-14-13(15)10-9-12-6-5-11-17-16(12)14/h4-11H,1-3H3/q+1
InChIKeyJDXWTXUODKZJNQ-UHFFFAOYSA-N
XLogP3.92
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

benzo[h]quinoline;naphthalene
CID 175017782
CID 87856781
CID 87856781
methanol;1,7-phenanthroline
CID 174496893
[1,3]benzothiazolo[4,5-h]quinoline
CID 69275376
(2S,3S)-butane-2,3-diamine;1,10-phenanthroline;platinum(2+)
CID 59769200
1,7-phenanthroline;vanadium
CID 174318955
1,7-phenanthroline;dihydrochloride
CID 174688507
7-(3,5-diphenylphenyl)benzo[h]quinoline
CID 140719025
CID 58385596
CID 58385596
1,10-phenanthroline;samarium
CID 174616745
osmium;tris(1,10-phenanthroline)
CID 14251798
iridium(3+);1,10-phenanthroline
CID 175702049

Frequently Asked Questions

What is the IUPAC name of benzo[h]quinolin-7-yl(trimethyl)phosphanium?
The IUPAC name of benzo[h]quinolin-7-yl(trimethyl)phosphanium (CID 59782114) is benzo[h]quinolin-7-yl(trimethyl)phosphanium.
What is the SMILES notation for benzo[h]quinolin-7-yl(trimethyl)phosphanium?
The canonical SMILES for benzo[h]quinolin-7-yl(trimethyl)phosphanium is C[P+](C)(C)c1cccc2c1ccc1cccnc12.
What is the InChIKey of benzo[h]quinolin-7-yl(trimethyl)phosphanium?
The InChIKey is JDXWTXUODKZJNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NP/c1-18(2,3)15-8-4-7-14-13(15)10-9-12-6-5-11-17-16(12)14/h4-11H,1-3H3/q+1.
What are the key properties of benzo[h]quinolin-7-yl(trimethyl)phosphanium?
benzo[h]quinolin-7-yl(trimethyl)phosphanium has a molecular weight of 254.29 g/mol, XLogP of 3.92, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzo[h]quinolin-7-yl(trimethyl)phosphanium is sourced from PubChem (CID 59782114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).