5,5-dimethyl-6-phenyl-6H-phenanthridin-5-ium iodide

C21H20IN — CID 24841234

IUPAC5,5-dimethyl-6-phenyl-6H-phenanthridin-5-ium iodide
SMILESC[N+]1(C)c2ccccc2-c2ccccc2C1c1ccccc1.[I-]
InChIInChI=1S/C21H20N.HI/c1-22(2)20-15-9-8-13-18(20)17-12-6-7-14-19(17)21(22)16-10-4-3-5-11-16;/h3-15,21H,1-2H3;1H/q+1;/p-1
InChIKeyUPUZZXVCGNAKHQ-UHFFFAOYSA-M
MW413.30 g/mol
LogP2.03
Rot. Bonds1

About 5,5-dimethyl-6-phenyl-6H-phenanthridin-5-ium iodide

5,5-dimethyl-6-phenyl-6H-phenanthridin-5-ium iodide (PubChem CID 24841234) has the molecular formula C21H20IN and a molecular weight of 413.30 g/mol. Its IUPAC name is 5,5-dimethyl-6-phenyl-6H-phenanthridin-5-ium iodide.

Molecular Properties

Compound Name5,5-dimethyl-6-phenyl-6H-phenanthridin-5-ium iodide
PubChem CID24841234
Molecular FormulaC21H20IN
Molecular Weight413.30 g/mol
Exact Mass413.06
IUPAC Name5,5-dimethyl-6-phenyl-6H-phenanthridin-5-ium iodide
SMILESC[N+]1(C)c2ccccc2-c2ccccc2C1c1ccccc1.[I-]
InChIInChI=1S/C21H20N.HI/c1-22(2)20-15-9-8-13-18(20)17-12-6-7-14-19(17)21(22)16-10-4-3-5-11-16;/h3-15,21H,1-2H3;1H/q+1;/p-1
InChIKeyUPUZZXVCGNAKHQ-UHFFFAOYSA-M
XLogP2.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.30
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-6-phenyl-6H-phenanthridin-5-ium iodide?
The IUPAC name of 5,5-dimethyl-6-phenyl-6H-phenanthridin-5-ium iodide (CID 24841234) is 5,5-dimethyl-6-phenyl-6H-phenanthridin-5-ium iodide.
What is the SMILES notation for 5,5-dimethyl-6-phenyl-6H-phenanthridin-5-ium iodide?
The canonical SMILES for 5,5-dimethyl-6-phenyl-6H-phenanthridin-5-ium iodide is C[N+]1(C)c2ccccc2-c2ccccc2C1c1ccccc1.[I-].
What is the InChIKey of 5,5-dimethyl-6-phenyl-6H-phenanthridin-5-ium iodide?
The InChIKey is UPUZZXVCGNAKHQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C21H20N.HI/c1-22(2)20-15-9-8-13-18(20)17-12-6-7-14-19(17)21(22)16-10-4-3-5-11-16;/h3-15,21H,1-2H3;1H/q+1;/p-1.
What are the key properties of 5,5-dimethyl-6-phenyl-6H-phenanthridin-5-ium iodide?
5,5-dimethyl-6-phenyl-6H-phenanthridin-5-ium iodide has a molecular weight of 413.30 g/mol, XLogP of 2.03, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-6-phenyl-6H-phenanthridin-5-ium iodide is sourced from PubChem (CID 24841234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).