5-methyl-4-(2-methylphenyl)-1-phenylpyrrolo[3,2-c]pyridin-5-ium

C21H19N2+ — CID 169055592

IUPAC5-methyl-4-(2-methylphenyl)-1-phenylpyrrolo[3,2-c]pyridin-5-ium
SMILESCc1ccccc1-c1c2ccn(-c3ccccc3)c2cc[n+]1C
InChIInChI=1S/C21H19N2/c1-16-8-6-7-11-18(16)21-19-12-15-23(17-9-4-3-5-10-17)20(19)13-14-22(21)2/h3-15H,1-2H3/q+1
InChIKeyJKXSRMCKFHSFEW-UHFFFAOYSA-N
MW299.40 g/mol
LogP4.43
Rot. Bonds2

About 5-methyl-4-(2-methylphenyl)-1-phenylpyrrolo[3,2-c]pyridin-5-ium

5-methyl-4-(2-methylphenyl)-1-phenylpyrrolo[3,2-c]pyridin-5-ium (PubChem CID 169055592) has the molecular formula C21H19N2+ and a molecular weight of 299.40 g/mol. Its IUPAC name is 5-methyl-4-(2-methylphenyl)-1-phenylpyrrolo[3,2-c]pyridin-5-ium.

Molecular Properties

Compound Name5-methyl-4-(2-methylphenyl)-1-phenylpyrrolo[3,2-c]pyridin-5-ium
PubChem CID169055592
Molecular FormulaC21H19N2+
Molecular Weight299.40 g/mol
Exact Mass299.15
IUPAC Name5-methyl-4-(2-methylphenyl)-1-phenylpyrrolo[3,2-c]pyridin-5-ium
SMILESCc1ccccc1-c1c2ccn(-c3ccccc3)c2cc[n+]1C
InChIInChI=1S/C21H19N2/c1-16-8-6-7-11-18(16)21-19-12-15-23(17-9-4-3-5-10-17)20(19)13-14-22(21)2/h3-15H,1-2H3/q+1
InChIKeyJKXSRMCKFHSFEW-UHFFFAOYSA-N
XLogP4.43
TPSA8.81 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-(2-methylphenyl)-1-phenylpyrrolo[3,2-c]pyridin-5-ium?
The IUPAC name of 5-methyl-4-(2-methylphenyl)-1-phenylpyrrolo[3,2-c]pyridin-5-ium (CID 169055592) is 5-methyl-4-(2-methylphenyl)-1-phenylpyrrolo[3,2-c]pyridin-5-ium.
What is the SMILES notation for 5-methyl-4-(2-methylphenyl)-1-phenylpyrrolo[3,2-c]pyridin-5-ium?
The canonical SMILES for 5-methyl-4-(2-methylphenyl)-1-phenylpyrrolo[3,2-c]pyridin-5-ium is Cc1ccccc1-c1c2ccn(-c3ccccc3)c2cc[n+]1C.
What is the InChIKey of 5-methyl-4-(2-methylphenyl)-1-phenylpyrrolo[3,2-c]pyridin-5-ium?
The InChIKey is JKXSRMCKFHSFEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N2/c1-16-8-6-7-11-18(16)21-19-12-15-23(17-9-4-3-5-10-17)20(19)13-14-22(21)2/h3-15H,1-2H3/q+1.
What are the key properties of 5-methyl-4-(2-methylphenyl)-1-phenylpyrrolo[3,2-c]pyridin-5-ium?
5-methyl-4-(2-methylphenyl)-1-phenylpyrrolo[3,2-c]pyridin-5-ium has a molecular weight of 299.40 g/mol, XLogP of 4.43, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-(2-methylphenyl)-1-phenylpyrrolo[3,2-c]pyridin-5-ium is sourced from PubChem (CID 169055592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).