10-phenylxanthen-10-ium-9-one

C19H13O2+ — CID 15310555

IUPAC10-phenylxanthen-10-ium-9-one
SMILESO=c1c2ccccc2[o+](-c2ccccc2)c2ccccc12
InChIInChI=1S/C19H13O2/c20-19-15-10-4-6-12-17(15)21(14-8-2-1-3-9-14)18-13-7-5-11-16(18)19/h1-13H/q+1
InChIKeyBFPHMTWFPHKLOJ-UHFFFAOYSA-N
MW273.31 g/mol
LogP4.62
Rot. Bonds1

About 10-phenylxanthen-10-ium-9-one

10-phenylxanthen-10-ium-9-one (PubChem CID 15310555) has the molecular formula C19H13O2+ and a molecular weight of 273.31 g/mol. Its IUPAC name is 10-phenylxanthen-10-ium-9-one.

Molecular Properties

Compound Name10-phenylxanthen-10-ium-9-one
PubChem CID15310555
Molecular FormulaC19H13O2+
Molecular Weight273.31 g/mol
Exact Mass273.09
IUPAC Name10-phenylxanthen-10-ium-9-one
SMILESO=c1c2ccccc2[o+](-c2ccccc2)c2ccccc12
InChIInChI=1S/C19H13O2/c20-19-15-10-4-6-12-17(15)21(14-8-2-1-3-9-14)18-13-7-5-11-16(18)19/h1-13H/q+1
InChIKeyBFPHMTWFPHKLOJ-UHFFFAOYSA-N
XLogP4.62
TPSA19.77 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

10-iodothioxanthen-10-ium-9-one
CID 153118420
molecular iodine;selenoxanthen-9-one
CID 134913960
10-phenylthioxanthen-10-ium-9-one
CID 18471230
10H-acridin-9-one
CID 22753806
1,1'-biphenyl;thioxanthen-9-one
CID 159774057
heptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene-9,18,21-trione
CID 42643402
octacyclo[13.13.0.02,7.03,27.09,14.013,17.016,21.023,28]octacosa-1(15),2,4,6,9,11,13,16,18,20,23,25,27-tridecaene-8,22-dione
CID 146168507
heptacyclo[15.11.0.02,14.05,13.06,11.018,26.019,24]octacosa-1(17),2(14),3,5(13),6,8,10,15,18(26),19,21,23,27-tridecaene-12,25-dione
CID 137432794
10H-acridin-9-one;ethane
CID 91525380
aniline;thioxanthen-9-one
CID 157172339
tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaen-15-one
CID 139077179
naphthalene-1,4-dicarboxylic acid;vanadium
CID 175565757

Frequently Asked Questions

What is the IUPAC name of 10-phenylxanthen-10-ium-9-one?
The IUPAC name of 10-phenylxanthen-10-ium-9-one (CID 15310555) is 10-phenylxanthen-10-ium-9-one.
What is the SMILES notation for 10-phenylxanthen-10-ium-9-one?
The canonical SMILES for 10-phenylxanthen-10-ium-9-one is O=c1c2ccccc2[o+](-c2ccccc2)c2ccccc12.
What is the InChIKey of 10-phenylxanthen-10-ium-9-one?
The InChIKey is BFPHMTWFPHKLOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13O2/c20-19-15-10-4-6-12-17(15)21(14-8-2-1-3-9-14)18-13-7-5-11-16(18)19/h1-13H/q+1.
What are the key properties of 10-phenylxanthen-10-ium-9-one?
10-phenylxanthen-10-ium-9-one has a molecular weight of 273.31 g/mol, XLogP of 4.62, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-phenylxanthen-10-ium-9-one is sourced from PubChem (CID 15310555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).