5-ethyl-3,8-dimethyl-6-phenylphenanthridin-5-ium

C23H22N+ — CID 18730678

IUPAC5-ethyl-3,8-dimethyl-6-phenylphenanthridin-5-ium
SMILESCC[n+]1c(-c2ccccc2)c2cc(C)ccc2c2ccc(C)cc21
InChIInChI=1S/C23H22N/c1-4-24-22-15-17(3)11-13-20(22)19-12-10-16(2)14-21(19)23(24)18-8-6-5-7-9-18/h5-15H,4H2,1-3H3/q+1
InChIKeyYWYPNXYOEJTZMB-UHFFFAOYSA-N
MW312.44 g/mol
LogP5.58
Rot. Bonds2

About 5-ethyl-3,8-dimethyl-6-phenylphenanthridin-5-ium

5-ethyl-3,8-dimethyl-6-phenylphenanthridin-5-ium (PubChem CID 18730678) has the molecular formula C23H22N+ and a molecular weight of 312.44 g/mol. Its IUPAC name is 5-ethyl-3,8-dimethyl-6-phenylphenanthridin-5-ium.

Molecular Properties

Compound Name5-ethyl-3,8-dimethyl-6-phenylphenanthridin-5-ium
PubChem CID18730678
Molecular FormulaC23H22N+
Molecular Weight312.44 g/mol
Exact Mass312.17
IUPAC Name5-ethyl-3,8-dimethyl-6-phenylphenanthridin-5-ium
SMILESCC[n+]1c(-c2ccccc2)c2cc(C)ccc2c2ccc(C)cc21
InChIInChI=1S/C23H22N/c1-4-24-22-15-17(3)11-13-20(22)19-12-10-16(2)14-21(19)23(24)18-8-6-5-7-9-18/h5-15H,4H2,1-3H3/q+1
InChIKeyYWYPNXYOEJTZMB-UHFFFAOYSA-N
XLogP5.58
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.44
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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

5-ethyl-6-phenylphenanthridin-5-ium-3,8-diamine;mercury(2+);bromide
CID 67510032
5-ethyl-6-phenylphenanthridin-5-ium-3,8-diamine;hydrazinylideneazanide
CID 171374493
[3-(carbamoylamino)-5-ethyl-6-phenylphenanthridin-5-ium-8-yl]urea chloride
CID 11212730
3-(3,8-diamino-6-phenylphenanthridin-5-ium-5-yl)propyl-triethylazanium diiodide
CID 69205294
2,7-dimethyltriphenylene
CID 23261750
5-methyl-6-phenylphenanthridin-5-ium-3,8-diamine;propane
CID 90961020
ethane;2-methyltriphenylene
CID 91569125
2-(3-methylphenyl)triphenylene;2-methyltriphenylene
CID 160536482
2,9,10-trimethylphenanthrene
CID 11345039
2-methyl-9,10-bis(4-methylphenyl)phenanthrene
CID 102170161
2,9-dimethyl-10-phenylanthracene
CID 58435289
2,5-dimethyl-1,3-diphenylisoindole
CID 4267799

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3,8-dimethyl-6-phenylphenanthridin-5-ium?
The IUPAC name of 5-ethyl-3,8-dimethyl-6-phenylphenanthridin-5-ium (CID 18730678) is 5-ethyl-3,8-dimethyl-6-phenylphenanthridin-5-ium.
What is the SMILES notation for 5-ethyl-3,8-dimethyl-6-phenylphenanthridin-5-ium?
The canonical SMILES for 5-ethyl-3,8-dimethyl-6-phenylphenanthridin-5-ium is CC[n+]1c(-c2ccccc2)c2cc(C)ccc2c2ccc(C)cc21.
What is the InChIKey of 5-ethyl-3,8-dimethyl-6-phenylphenanthridin-5-ium?
The InChIKey is YWYPNXYOEJTZMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N/c1-4-24-22-15-17(3)11-13-20(22)19-12-10-16(2)14-21(19)23(24)18-8-6-5-7-9-18/h5-15H,4H2,1-3H3/q+1.
What are the key properties of 5-ethyl-3,8-dimethyl-6-phenylphenanthridin-5-ium?
5-ethyl-3,8-dimethyl-6-phenylphenanthridin-5-ium has a molecular weight of 312.44 g/mol, XLogP of 5.58, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3,8-dimethyl-6-phenylphenanthridin-5-ium is sourced from PubChem (CID 18730678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).