imino-(10-oxophenanthren-9-ylidene)azanium

C14H9N2O+ — CID 6334230

IUPACimino-(10-oxophenanthren-9-ylidene)azanium
SMILESN=[N+]=C1C(=O)c2ccccc2-c2ccccc21
InChIInChI=1S/C14H9N2O/c15-16-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14(13)17/h1-8,15H/q+1
InChIKeyGJOSKQKNVDTVPX-UHFFFAOYSA-N
MW221.24 g/mol
LogP2.58
Rot. Bonds

About imino-(10-oxophenanthren-9-ylidene)azanium

imino-(10-oxophenanthren-9-ylidene)azanium (PubChem CID 6334230) has the molecular formula C14H9N2O+ and a molecular weight of 221.24 g/mol. Its IUPAC name is imino-(10-oxophenanthren-9-ylidene)azanium.

Molecular Properties

Compound Nameimino-(10-oxophenanthren-9-ylidene)azanium
PubChem CID6334230
Molecular FormulaC14H9N2O+
Molecular Weight221.24 g/mol
Exact Mass221.07
IUPAC Nameimino-(10-oxophenanthren-9-ylidene)azanium
SMILESN=[N+]=C1C(=O)c2ccccc2-c2ccccc21
InChIInChI=1S/C14H9N2O/c15-16-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14(13)17/h1-8,15H/q+1
InChIKeyGJOSKQKNVDTVPX-UHFFFAOYSA-N
XLogP2.58
TPSA55.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.24
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'quinone_D(2)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

phenanthrene-9,10-dione
CID 6763
2-(iminomethylidene)indene-1,3-dione
CID 135431394
CID 118898551
CID 118898551
sodium;fluoren-9-one;hydride
CID 174594472
anthracene-9,10-dione;hydrofluoride
CID 172728823
CID 67824005
CID 67824005
CID 66807709
CID 66807709
lithium;anthracene-9,10-dione;hydride
CID 174683199
anthracene-9,10-dione;platinum(2+);dichloride
CID 174702138
anthracene-9,10-dione;hydrate;hydrochloride
CID 177309925
ethane;bis(fluoren-9-one);methanol
CID 162250310
CID 158261979
CID 158261979

Frequently Asked Questions

What is the IUPAC name of imino-(10-oxophenanthren-9-ylidene)azanium?
The IUPAC name of imino-(10-oxophenanthren-9-ylidene)azanium (CID 6334230) is imino-(10-oxophenanthren-9-ylidene)azanium.
What is the SMILES notation for imino-(10-oxophenanthren-9-ylidene)azanium?
The canonical SMILES for imino-(10-oxophenanthren-9-ylidene)azanium is N=[N+]=C1C(=O)c2ccccc2-c2ccccc21.
What is the InChIKey of imino-(10-oxophenanthren-9-ylidene)azanium?
The InChIKey is GJOSKQKNVDTVPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9N2O/c15-16-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14(13)17/h1-8,15H/q+1.
What are the key properties of imino-(10-oxophenanthren-9-ylidene)azanium?
imino-(10-oxophenanthren-9-ylidene)azanium has a molecular weight of 221.24 g/mol, XLogP of 2.58, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for imino-(10-oxophenanthren-9-ylidene)azanium is sourced from PubChem (CID 6334230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).