1-methanidyl-10-methylidene-1,10-phenanthrolin-10-ium

C14H12N2 — CID 20740736

IUPAC1-methanidyl-10-methylidene-1,10-phenanthrolin-10-ium
SMILESC=[n+]1cccc2ccc3c(c21)N([CH2-])C=CC=3
InChIInChI=1S/C14H12N2/c1-15-9-3-5-11-7-8-12-6-4-10-16(2)14(12)13(11)15/h3-10H,1-2H2
InChIKeyHLGJDDHJDROWHT-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.67
Rot. Bonds

About 1-methanidyl-10-methylidene-1,10-phenanthrolin-10-ium

1-methanidyl-10-methylidene-1,10-phenanthrolin-10-ium (PubChem CID 20740736) has the molecular formula C14H12N2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 1-methanidyl-10-methylidene-1,10-phenanthrolin-10-ium.

Molecular Properties

Compound Name1-methanidyl-10-methylidene-1,10-phenanthrolin-10-ium
PubChem CID20740736
Molecular FormulaC14H12N2
Molecular Weight208.26 g/mol
Exact Mass208.10
IUPAC Name1-methanidyl-10-methylidene-1,10-phenanthrolin-10-ium
SMILESC=[n+]1cccc2ccc3c(c21)N([CH2-])C=CC=3
InChIInChI=1S/C14H12N2/c1-15-9-3-5-11-7-8-12-6-4-10-16(2)14(12)13(11)15/h3-10H,1-2H2
InChIKeyHLGJDDHJDROWHT-UHFFFAOYSA-N
XLogP1.67
TPSA9.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 1-methanidyl-10-methylidene-1,10-phenanthrolin-10-ium 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

Benzo[a]quinolizine
CID 57056395
1,10-Dimethyl-1,10-phenanthroline
CID 87727374
Benzo[c]quinolizine
CID 87991361
Pyrazino[1,2-b]isoquinoline
CID 118184971
Pyrido[1,2-b]isoquinoline
CID 129872472
1,10-Difluoro-1,10-phenanthroline
CID 175933835
7H-pyrazino[1,2-b]isoquinoline
CID 91176376
9H-pyrimido[1,2-a]quinoline
CID 91449658
1,8-Diazatetracyclo[6.6.2.04,16.011,15]hexadeca-2,4,6,9,11,13,15-heptaene
CID 139244999
1,5-Diazatetracyclo[7.6.2.05,17.012,16]heptadeca-6,8,10,12,14,16-hexaene
CID 54606361
1-Azatricyclo[7.3.1.05,13]trideca-2,4,7,9(13),10-pentaene
CID 18981576
[1,4]Diazepino[2,1-g][1,7]naphthyridine
CID 19067743

Frequently Asked Questions

What is the IUPAC name of 1-methanidyl-10-methylidene-1,10-phenanthrolin-10-ium?
The IUPAC name of 1-methanidyl-10-methylidene-1,10-phenanthrolin-10-ium (CID 20740736) is 1-methanidyl-10-methylidene-1,10-phenanthrolin-10-ium.
What is the SMILES notation for 1-methanidyl-10-methylidene-1,10-phenanthrolin-10-ium?
The canonical SMILES for 1-methanidyl-10-methylidene-1,10-phenanthrolin-10-ium is C=[n+]1cccc2ccc3c(c21)N([CH2-])C=CC=3.
What is the InChIKey of 1-methanidyl-10-methylidene-1,10-phenanthrolin-10-ium?
The InChIKey is HLGJDDHJDROWHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2/c1-15-9-3-5-11-7-8-12-6-4-10-16(2)14(12)13(11)15/h3-10H,1-2H2.
What are the key properties of 1-methanidyl-10-methylidene-1,10-phenanthrolin-10-ium?
1-methanidyl-10-methylidene-1,10-phenanthrolin-10-ium has a molecular weight of 208.26 g/mol, XLogP of 1.67, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methanidyl-10-methylidene-1,10-phenanthrolin-10-ium is sourced from PubChem (CID 20740736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).