1,12-dimethyl-2-phenylimidazo[1,2-f]phenanthridin-4-ium

C23H19N2+ — CID 155616035

IUPAC1,12-dimethyl-2-phenylimidazo[1,2-f]phenanthridin-4-ium
SMILESCc1cccc2c3ccccc3[n+]3cc(-c4ccccc4)n(C)c3c12
InChIInChI=1S/C23H19N2/c1-16-9-8-13-19-18-12-6-7-14-20(18)25-15-21(17-10-4-3-5-11-17)24(2)23(25)22(16)19/h3-15H,1-2H3/q+1
InChIKeyZJXCZJOQHQQFNO-UHFFFAOYSA-N
MW323.42 g/mol
LogP5.05
Rot. Bonds1

About 1,12-dimethyl-2-phenylimidazo[1,2-f]phenanthridin-4-ium

1,12-dimethyl-2-phenylimidazo[1,2-f]phenanthridin-4-ium (PubChem CID 155616035) has the molecular formula C23H19N2+ and a molecular weight of 323.42 g/mol. Its IUPAC name is 1,12-dimethyl-2-phenylimidazo[1,2-f]phenanthridin-4-ium.

Molecular Properties

Compound Name1,12-dimethyl-2-phenylimidazo[1,2-f]phenanthridin-4-ium
PubChem CID155616035
Molecular FormulaC23H19N2+
Molecular Weight323.42 g/mol
Exact Mass323.15
IUPAC Name1,12-dimethyl-2-phenylimidazo[1,2-f]phenanthridin-4-ium
SMILESCc1cccc2c3ccccc3[n+]3cc(-c4ccccc4)n(C)c3c12
InChIInChI=1S/C23H19N2/c1-16-9-8-13-19-18-12-6-7-14-20(18)25-15-21(17-10-4-3-5-11-17)24(2)23(25)22(16)19/h3-15H,1-2H3/q+1
InChIKeyZJXCZJOQHQQFNO-UHFFFAOYSA-N
XLogP5.05
TPSA9.03 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.42
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

2-methyl-1,12-di(propan-2-yl)imidazo[1,2-f]phenanthridin-4-ium
CID 140940411
6,7-dimethylphenanthridin-5-ium-5-amine
CID 123855150
1,10-dimethyl-6-phenyl-5H-imidazo[2,1-a]isoquinolin-4-ium-5-ide
CID 176753040
1-[2,4-di(propan-2-yl)dibenzofuran-3-yl]-3-methyl-2-(2-methylphenyl)imidazol-3-ium;1-[2,4-di(propan-2-yl)dibenzothiophen-3-yl]-3-methyl-2-(2-methylphenyl)imidazol-3-ium;1-methyl-2-(2-methylphenyl)-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazol-1-ium;1,2,12-trimethylimidazo[1,2-f]phenanthridin-4-ium
CID 160723478
1,5,12-trimethyltriphenylene
CID 102264978
1,5-dimethyl-3-phenylnaphthalene
CID 171720915
3,21-dimethyl-10,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaene
CID 148752154
4-methyl-9-(4-phenylphenyl)carbazole
CID 122415243
N,5,7-trimethylphenanthridin-6-imine
CID 123267769
4,5,10-trimethylphenanthridin-6-one
CID 132522082
1,5-dimethylnaphthalene
CID 162159355
7-methyl-6-(4-methylphenyl)phenanthridine
CID 135007702

Frequently Asked Questions

What is the IUPAC name of 1,12-dimethyl-2-phenylimidazo[1,2-f]phenanthridin-4-ium?
The IUPAC name of 1,12-dimethyl-2-phenylimidazo[1,2-f]phenanthridin-4-ium (CID 155616035) is 1,12-dimethyl-2-phenylimidazo[1,2-f]phenanthridin-4-ium.
What is the SMILES notation for 1,12-dimethyl-2-phenylimidazo[1,2-f]phenanthridin-4-ium?
The canonical SMILES for 1,12-dimethyl-2-phenylimidazo[1,2-f]phenanthridin-4-ium is Cc1cccc2c3ccccc3[n+]3cc(-c4ccccc4)n(C)c3c12.
What is the InChIKey of 1,12-dimethyl-2-phenylimidazo[1,2-f]phenanthridin-4-ium?
The InChIKey is ZJXCZJOQHQQFNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N2/c1-16-9-8-13-19-18-12-6-7-14-20(18)25-15-21(17-10-4-3-5-11-17)24(2)23(25)22(16)19/h3-15H,1-2H3/q+1.
What are the key properties of 1,12-dimethyl-2-phenylimidazo[1,2-f]phenanthridin-4-ium?
1,12-dimethyl-2-phenylimidazo[1,2-f]phenanthridin-4-ium has a molecular weight of 323.42 g/mol, XLogP of 5.05, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,12-dimethyl-2-phenylimidazo[1,2-f]phenanthridin-4-ium is sourced from PubChem (CID 155616035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).