12-methylimidazo[1,2-f]phenanthridin-1-ium iodide

C16H13IN2 — CID 147320861

IUPAC12-methylimidazo[1,2-f]phenanthridin-1-ium iodide
SMILESCc1cccc2c3ccccc3n3cc[nH+]c3c12.[I-]
InChIInChI=1S/C16H12N2.HI/c1-11-5-4-7-13-12-6-2-3-8-14(12)18-10-9-17-16(18)15(11)13;/h2-10H,1H3;1H
InChIKeyYYOMWHGDAZNUHD-UHFFFAOYSA-N
MW360.20 g/mol
LogP0.37
Rot. Bonds

About 12-methylimidazo[1,2-f]phenanthridin-1-ium iodide

12-methylimidazo[1,2-f]phenanthridin-1-ium iodide (PubChem CID 147320861) has the molecular formula C16H13IN2 and a molecular weight of 360.20 g/mol. Its IUPAC name is 12-methylimidazo[1,2-f]phenanthridin-1-ium iodide.

Molecular Properties

Compound Name12-methylimidazo[1,2-f]phenanthridin-1-ium iodide
PubChem CID147320861
Molecular FormulaC16H13IN2
Molecular Weight360.20 g/mol
Exact Mass360.01
IUPAC Name12-methylimidazo[1,2-f]phenanthridin-1-ium iodide
SMILESCc1cccc2c3ccccc3n3cc[nH+]c3c12.[I-]
InChIInChI=1S/C16H12N2.HI/c1-11-5-4-7-13-12-6-2-3-8-14(12)18-10-9-17-16(18)15(11)13;/h2-10H,1H3;1H
InChIKeyYYOMWHGDAZNUHD-UHFFFAOYSA-N
XLogP0.37
TPSA18.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.20
LogP ≤ 50.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

12-methylimidazo[1,2-f]phenanthridine
CID 67953611
1,5,12-trimethyltriphenylene
CID 102264978
9-iodo-1-methylcarbazole
CID 134316149
N,5,7-trimethylphenanthridin-6-imine
CID 123267769
ethane;1-methylindole;1-methyltriphenylene
CID 159697766
25-methyl-20-azaheptacyclo[18.10.1.02,7.08,13.014,19.021,26.027,31]hentriaconta-1(31),2,4,6,8,10,12,14,16,18,21,23,25,27,29-pentadecaene
CID 168811096
4-carbazol-9-yl-9-(2-methylphenyl)carbazole
CID 174273239
12,24,29-trimethyl-20-azaheptacyclo[18.10.1.02,7.08,13.014,19.021,26.027,31]hentriaconta-1(31),2,4,6,8,10,12,14,16,18,21(26),22,24,27,29-pentadecaene
CID 170187647
4,5-dimethylphenanthro[9,10-b]pyridine
CID 140895992
19-[10-(19-azapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5(18),6,8,10,12(17),13,15-nonaen-19-yl)anthracen-9-yl]-19-azapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5(18),6,8,10,12(17),13,15-nonaene
CID 88951403
4-methyl-9-(4-phenylphenyl)carbazole
CID 122415243
1,5-dimethylnaphthalene
CID 162159355

Frequently Asked Questions

What is the IUPAC name of 12-methylimidazo[1,2-f]phenanthridin-1-ium iodide?
The IUPAC name of 12-methylimidazo[1,2-f]phenanthridin-1-ium iodide (CID 147320861) is 12-methylimidazo[1,2-f]phenanthridin-1-ium iodide.
What is the SMILES notation for 12-methylimidazo[1,2-f]phenanthridin-1-ium iodide?
The canonical SMILES for 12-methylimidazo[1,2-f]phenanthridin-1-ium iodide is Cc1cccc2c3ccccc3n3cc[nH+]c3c12.[I-].
What is the InChIKey of 12-methylimidazo[1,2-f]phenanthridin-1-ium iodide?
The InChIKey is YYOMWHGDAZNUHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2.HI/c1-11-5-4-7-13-12-6-2-3-8-14(12)18-10-9-17-16(18)15(11)13;/h2-10H,1H3;1H.
What are the key properties of 12-methylimidazo[1,2-f]phenanthridin-1-ium iodide?
12-methylimidazo[1,2-f]phenanthridin-1-ium iodide has a molecular weight of 360.20 g/mol, XLogP of 0.37, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 12-methylimidazo[1,2-f]phenanthridin-1-ium iodide is sourced from PubChem (CID 147320861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).