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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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).