5,10-dimethyl-2-(1-methylindol-6-yl)phenanthridin-5-ium chloride

C24H21ClN2 — CID 164611488

IUPAC5,10-dimethyl-2-(1-methylindol-6-yl)phenanthridin-5-ium chloride
SMILESCc1cccc2c[n+](C)c3ccc(-c4ccc5ccn(C)c5c4)cc3c12.[Cl-]
InChIInChI=1S/C24H21N2.ClH/c1-16-5-4-6-20-15-26(3)22-10-9-18(13-21(22)24(16)20)19-8-7-17-11-12-25(2)23(17)14-19;/h4-15H,1-3H3;1H/q+1;/p-1
InChIKeyHFVPVFDZSVQMJR-UHFFFAOYSA-M
MW372.90 g/mol
LogP2.29
Rot. Bonds1

About 5,10-dimethyl-2-(1-methylindol-6-yl)phenanthridin-5-ium chloride

5,10-dimethyl-2-(1-methylindol-6-yl)phenanthridin-5-ium chloride (PubChem CID 164611488) has the molecular formula C24H21ClN2 and a molecular weight of 372.90 g/mol. Its IUPAC name is 5,10-dimethyl-2-(1-methylindol-6-yl)phenanthridin-5-ium chloride.

Molecular Properties

Compound Name5,10-dimethyl-2-(1-methylindol-6-yl)phenanthridin-5-ium chloride
PubChem CID164611488
Molecular FormulaC24H21ClN2
Molecular Weight372.90 g/mol
Exact Mass372.14
IUPAC Name5,10-dimethyl-2-(1-methylindol-6-yl)phenanthridin-5-ium chloride
SMILESCc1cccc2c[n+](C)c3ccc(-c4ccc5ccn(C)c5c4)cc3c12.[Cl-]
InChIInChI=1S/C24H21N2.ClH/c1-16-5-4-6-20-15-26(3)22-10-9-18(13-21(22)24(16)20)19-8-7-17-11-12-25(2)23(17)14-19;/h4-15H,1-3H3;1H/q+1;/p-1
InChIKeyHFVPVFDZSVQMJR-UHFFFAOYSA-M
XLogP2.29
TPSA8.81 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.90
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_pyridiniums_A(39)', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 5,10-dimethyl-2-(1-methylindol-6-yl)phenanthridin-5-ium chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5,10-dimethyl-2-(1-methylindol-6-yl)phenanthridin-5-ium chloride?
The IUPAC name of 5,10-dimethyl-2-(1-methylindol-6-yl)phenanthridin-5-ium chloride (CID 164611488) is 5,10-dimethyl-2-(1-methylindol-6-yl)phenanthridin-5-ium chloride.
What is the SMILES notation for 5,10-dimethyl-2-(1-methylindol-6-yl)phenanthridin-5-ium chloride?
The canonical SMILES for 5,10-dimethyl-2-(1-methylindol-6-yl)phenanthridin-5-ium chloride is Cc1cccc2c[n+](C)c3ccc(-c4ccc5ccn(C)c5c4)cc3c12.[Cl-].
What is the InChIKey of 5,10-dimethyl-2-(1-methylindol-6-yl)phenanthridin-5-ium chloride?
The InChIKey is HFVPVFDZSVQMJR-UHFFFAOYSA-M. The full InChI is InChI=1S/C24H21N2.ClH/c1-16-5-4-6-20-15-26(3)22-10-9-18(13-21(22)24(16)20)19-8-7-17-11-12-25(2)23(17)14-19;/h4-15H,1-3H3;1H/q+1;/p-1.
What are the key properties of 5,10-dimethyl-2-(1-methylindol-6-yl)phenanthridin-5-ium chloride?
5,10-dimethyl-2-(1-methylindol-6-yl)phenanthridin-5-ium chloride has a molecular weight of 372.90 g/mol, XLogP of 2.29, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,10-dimethyl-2-(1-methylindol-6-yl)phenanthridin-5-ium chloride is sourced from PubChem (CID 164611488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).