phenanthrene-3-diazonium hexafluorophosphate

C14H9F6N2P — CID 10893474

IUPACphenanthrene-3-diazonium hexafluorophosphate
SMILESF[P-](F)(F)(F)(F)F.N#[N+]c1ccc2ccc3ccccc3c2c1
InChIInChI=1S/C14H9N2.F6P/c15-16-12-8-7-11-6-5-10-3-1-2-4-13(10)14(11)9-12;1-7(2,3,4,5)6/h1-9H;/q+1;-1
InChIKeyHKFFHKYBVGYKPA-UHFFFAOYSA-N
MW350.20 g/mol
LogP7.86
Rot. Bonds

About phenanthrene-3-diazonium hexafluorophosphate

phenanthrene-3-diazonium hexafluorophosphate (PubChem CID 10893474) has the molecular formula C14H9F6N2P and a molecular weight of 350.20 g/mol. Its IUPAC name is phenanthrene-3-diazonium hexafluorophosphate.

Molecular Properties

Compound Namephenanthrene-3-diazonium hexafluorophosphate
PubChem CID10893474
Molecular FormulaC14H9F6N2P
Molecular Weight350.20 g/mol
Exact Mass350.04
IUPAC Namephenanthrene-3-diazonium hexafluorophosphate
SMILESF[P-](F)(F)(F)(F)F.N#[N+]c1ccc2ccc3ccccc3c2c1
InChIInChI=1S/C14H9N2.F6P/c15-16-12-8-7-11-6-5-10-3-1-2-4-13(10)14(11)9-12;1-7(2,3,4,5)6/h1-9H;/q+1;-1
InChIKeyHKFFHKYBVGYKPA-UHFFFAOYSA-N
XLogP7.86
TPSA28.15 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.20
LogP ≤ 57.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

naphtho[1,2-b]phenanthrene
CID 5889
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
phenanthren-3-ol
CID 73057263
phenanthrene;phosphane
CID 161431298
phenanthrene;sulfane
CID 159172584
octacyclo[16.16.0.02,15.04,13.07,12.019,32.022,31.023,28]tetratriaconta-1(18),2,4(13),5,7,9,11,14,16,19(32),20,22(31),23,25,27,29,33-heptadecaene
CID 173096286
heptacyclo[16.12.0.03,16.04,13.07,12.019,28.022,27]triaconta-1,3(16),4(13),5,7,9,11,14,17,19(28),20,22,24,26,29-pentadecaene
CID 6431039
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
heptacyclo[16.12.0.02,15.03,12.04,9.020,29.021,26]triaconta-1(30),2(15),3(12),4,6,8,10,13,16,18,20(29),21,23,25,27-pentadecaene
CID 155637443
benzo[a]anthracene;formonitrile
CID 155409375
anthracene;naphthalene;phenanthrene
CID 158591187
benzo[a]anthracene;hydrobromide
CID 159787028

Frequently Asked Questions

What is the IUPAC name of phenanthrene-3-diazonium hexafluorophosphate?
The IUPAC name of phenanthrene-3-diazonium hexafluorophosphate (CID 10893474) is phenanthrene-3-diazonium hexafluorophosphate.
What is the SMILES notation for phenanthrene-3-diazonium hexafluorophosphate?
The canonical SMILES for phenanthrene-3-diazonium hexafluorophosphate is F[P-](F)(F)(F)(F)F.N#[N+]c1ccc2ccc3ccccc3c2c1.
What is the InChIKey of phenanthrene-3-diazonium hexafluorophosphate?
The InChIKey is HKFFHKYBVGYKPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9N2.F6P/c15-16-12-8-7-11-6-5-10-3-1-2-4-13(10)14(11)9-12;1-7(2,3,4,5)6/h1-9H;/q+1;-1.
What are the key properties of phenanthrene-3-diazonium hexafluorophosphate?
phenanthrene-3-diazonium hexafluorophosphate has a molecular weight of 350.20 g/mol, XLogP of 7.86, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for phenanthrene-3-diazonium hexafluorophosphate is sourced from PubChem (CID 10893474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).