3-ethyl-2,5-dimethylimidazo[1,5-f]phenanthridin-2-ium

C19H19N2+ — CID 163508616

IUPAC3-ethyl-2,5-dimethylimidazo[1,5-f]phenanthridin-2-ium
SMILESCCc1n2c(c[n+]1C)c1ccccc1c1cccc(C)c12
InChIInChI=1S/C19H19N2/c1-4-18-20(3)12-17-15-10-6-5-9-14(15)16-11-7-8-13(2)19(16)21(17)18/h5-12H,4H2,1-3H3/q+1
InChIKeyNGLXCBIHURDPKX-UHFFFAOYSA-N
MW275.38 g/mol
LogP3.94
Rot. Bonds1

About 3-ethyl-2,5-dimethylimidazo[1,5-f]phenanthridin-2-ium

3-ethyl-2,5-dimethylimidazo[1,5-f]phenanthridin-2-ium (PubChem CID 163508616) has the molecular formula C19H19N2+ and a molecular weight of 275.38 g/mol. Its IUPAC name is 3-ethyl-2,5-dimethylimidazo[1,5-f]phenanthridin-2-ium.

Molecular Properties

Compound Name3-ethyl-2,5-dimethylimidazo[1,5-f]phenanthridin-2-ium
PubChem CID163508616
Molecular FormulaC19H19N2+
Molecular Weight275.38 g/mol
Exact Mass275.15
IUPAC Name3-ethyl-2,5-dimethylimidazo[1,5-f]phenanthridin-2-ium
SMILESCCc1n2c(c[n+]1C)c1ccccc1c1cccc(C)c12
InChIInChI=1S/C19H19N2/c1-4-18-20(3)12-17-15-10-6-5-9-14(15)16-11-7-8-13(2)19(16)21(17)18/h5-12H,4H2,1-3H3/q+1
InChIKeyNGLXCBIHURDPKX-UHFFFAOYSA-N
XLogP3.94
TPSA8.29 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 53.94
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

3-ethyl-2,7-dimethylimidazo[5,1-a]isoquinolin-2-ium
CID 163508611
9-iodo-1-methylcarbazole
CID 134316149
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
1-methyl-9-[1-methyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]carbazole
CID 155616142
3-ethyl-2,9-dimethylimidazo[1,5-b]isoquinolin-2-ium
CID 163508612
4-methyl-5-(1-methylcarbazol-9-yl)-4-azoniapentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaene
CID 176845178
9-[4,6-bis(1-methylcarbazol-9-yl)-1,3,5-triazin-2-yl]-1-methylcarbazole
CID 23399530
12,18-dimethyl-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene
CID 143996049
10-ethyl-5,11-dimethyl-3-thia-9-aza-11-azoniatricyclo[7.3.0.02,6]dodeca-1(12),2(6),4,7,10-pentaene
CID 163591878
1-methyl-9-(1-methyl-4-propan-2-ylpyridin-1-ium-2-yl)carbazole
CID 140705700
(6,9-dimethyl-1-aza-9-azoniahexacyclo[10.9.2.02,7.08,23.015,22.016,21]tricosa-2,4,6,8,10,12(23),13,15(22),16,18,20-undecaen-11-yl)-trimethylsilane
CID 169015460
5-methyl-4-(2-methylphenyl)-8-oxa-3-aza-5-azoniapentacyclo[10.8.0.02,9.03,7.013,18]icosa-1(12),2(9),4,6,10,13,15,17,19-nonaene
CID 166570511

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2,5-dimethylimidazo[1,5-f]phenanthridin-2-ium?
The IUPAC name of 3-ethyl-2,5-dimethylimidazo[1,5-f]phenanthridin-2-ium (CID 163508616) is 3-ethyl-2,5-dimethylimidazo[1,5-f]phenanthridin-2-ium.
What is the SMILES notation for 3-ethyl-2,5-dimethylimidazo[1,5-f]phenanthridin-2-ium?
The canonical SMILES for 3-ethyl-2,5-dimethylimidazo[1,5-f]phenanthridin-2-ium is CCc1n2c(c[n+]1C)c1ccccc1c1cccc(C)c12.
What is the InChIKey of 3-ethyl-2,5-dimethylimidazo[1,5-f]phenanthridin-2-ium?
The InChIKey is NGLXCBIHURDPKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N2/c1-4-18-20(3)12-17-15-10-6-5-9-14(15)16-11-7-8-13(2)19(16)21(17)18/h5-12H,4H2,1-3H3/q+1.
What are the key properties of 3-ethyl-2,5-dimethylimidazo[1,5-f]phenanthridin-2-ium?
3-ethyl-2,5-dimethylimidazo[1,5-f]phenanthridin-2-ium has a molecular weight of 275.38 g/mol, XLogP of 3.94, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2,5-dimethylimidazo[1,5-f]phenanthridin-2-ium is sourced from PubChem (CID 163508616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).