2,3-dihydro-[1,4]dioxino[2,3-f][1,10]phenanthroline

C14H10N2O2 — CID 101089450

IUPAC2,3-dihydro-[1,4]dioxino[2,3-f][1,10]phenanthroline
SMILESc1cnc2c(c1)c1c(c3cccnc32)OCCO1
InChIInChI=1S/C14H10N2O2/c1-3-9-11(15-5-1)12-10(4-2-6-16-12)14-13(9)17-7-8-18-14/h1-6H,7-8H2
InChIKeyUXBSPXYBSKTUNO-UHFFFAOYSA-N
MW238.25 g/mol
LogP2.55
Rot. Bonds

About 2,3-dihydro-[1,4]dioxino[2,3-f][1,10]phenanthroline

2,3-dihydro-[1,4]dioxino[2,3-f][1,10]phenanthroline (PubChem CID 101089450) has the molecular formula C14H10N2O2 and a molecular weight of 238.25 g/mol. Its IUPAC name is 2,3-dihydro-[1,4]dioxino[2,3-f][1,10]phenanthroline.

Molecular Properties

Compound Name2,3-dihydro-[1,4]dioxino[2,3-f][1,10]phenanthroline
PubChem CID101089450
Molecular FormulaC14H10N2O2
Molecular Weight238.25 g/mol
Exact Mass238.07
IUPAC Name2,3-dihydro-[1,4]dioxino[2,3-f][1,10]phenanthroline
SMILESc1cnc2c(c1)c1c(c3cccnc32)OCCO1
InChIInChI=1S/C14H10N2O2/c1-3-9-11(15-5-1)12-10(4-2-6-16-12)14-13(9)17-7-8-18-14/h1-6H,7-8H2
InChIKeyUXBSPXYBSKTUNO-UHFFFAOYSA-N
XLogP2.55
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2,3-dihydro-[1,4]dioxino[2,3-f][1,10]phenanthroline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

15,18,21,24-tetraoxa-6,9-diazatetracyclo[12.10.0.02,7.08,13]tetracosa-1(14),2(7),3,5,8(13),9,11-heptaene
CID 101089451
2,8,11,17-tetraoxa-5,14-dithia-23,26-diazatetracyclo[16.12.0.019,24.025,30]triaconta-1(18),19(24),20,22,25(30),26,28-heptaene
CID 102278311
3,6,9,12,15-pentazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8,10,12,15,17-nonaene
CID 122642394
azanide;2,8,11,17,23,26-hexazaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1,3(16),4(9),5,7,10(15),11,13,17,19(24),20,22,25(30),26,28-pentadecaene;ruthenium
CID 164779457
[1,2,5]thiadiazolo[3,4-f][1,10]phenanthroline
CID 56941578
naphtho[2,3-f][1,10]phenanthroline
CID 15381524
2,3-dimethylpyrazino[2,3-f][4,7]phenanthroline
CID 11425448
11-oxa-3-azatricyclo[6.2.1.02,7]undeca-1,3,5,7,9-pentaene
CID 70245532
quinoxalino[2,3-f][1,7]phenanthroline;quinoxalino[2,3-f][1,10]phenanthroline
CID 118008961
iridium(3+);bis(phenanthro[9,10-b]pyrazine)
CID 160728362
4-oxa-8-azatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2,5,7(12),8,10,13,15-octaene
CID 58262111
2,3-dihydro-[1,4]dioxino[2,3-b]pyridine;ethane
CID 91423085

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-[1,4]dioxino[2,3-f][1,10]phenanthroline?
The IUPAC name of 2,3-dihydro-[1,4]dioxino[2,3-f][1,10]phenanthroline (CID 101089450) is 2,3-dihydro-[1,4]dioxino[2,3-f][1,10]phenanthroline.
What is the SMILES notation for 2,3-dihydro-[1,4]dioxino[2,3-f][1,10]phenanthroline?
The canonical SMILES for 2,3-dihydro-[1,4]dioxino[2,3-f][1,10]phenanthroline is c1cnc2c(c1)c1c(c3cccnc32)OCCO1.
What is the InChIKey of 2,3-dihydro-[1,4]dioxino[2,3-f][1,10]phenanthroline?
The InChIKey is UXBSPXYBSKTUNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O2/c1-3-9-11(15-5-1)12-10(4-2-6-16-12)14-13(9)17-7-8-18-14/h1-6H,7-8H2.
What are the key properties of 2,3-dihydro-[1,4]dioxino[2,3-f][1,10]phenanthroline?
2,3-dihydro-[1,4]dioxino[2,3-f][1,10]phenanthroline has a molecular weight of 238.25 g/mol, XLogP of 2.55, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-[1,4]dioxino[2,3-f][1,10]phenanthroline is sourced from PubChem (CID 101089450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).