2-(2,4-dimethylphenyl)-9H-pyrido[2,3-b]indole

C19H16N2 — CID 176621868

IUPAC2-(2,4-dimethylphenyl)-9H-pyrido[2,3-b]indole
SMILESCc1ccc(-c2ccc3c(n2)[nH]c2ccccc23)c(C)c1
InChIInChI=1S/C19H16N2/c1-12-7-8-14(13(2)11-12)18-10-9-16-15-5-3-4-6-17(15)20-19(16)21-18/h3-11H,1-2H3,(H,20,21)
InChIKeyZPNLELFVYCLBDB-UHFFFAOYSA-N
MW272.35 g/mol
LogP5.00
Rot. Bonds1

About 2-(2,4-dimethylphenyl)-9H-pyrido[2,3-b]indole

2-(2,4-dimethylphenyl)-9H-pyrido[2,3-b]indole (PubChem CID 176621868) has the molecular formula C19H16N2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-(2,4-dimethylphenyl)-9H-pyrido[2,3-b]indole.

Molecular Properties

Compound Name2-(2,4-dimethylphenyl)-9H-pyrido[2,3-b]indole
PubChem CID176621868
Molecular FormulaC19H16N2
Molecular Weight272.35 g/mol
Exact Mass272.13
IUPAC Name2-(2,4-dimethylphenyl)-9H-pyrido[2,3-b]indole
SMILESCc1ccc(-c2ccc3c(n2)[nH]c2ccccc23)c(C)c1
InChIInChI=1S/C19H16N2/c1-12-7-8-14(13(2)11-12)18-10-9-16-15-5-3-4-6-17(15)20-19(16)21-18/h3-11H,1-2H3,(H,20,21)
InChIKeyZPNLELFVYCLBDB-UHFFFAOYSA-N
XLogP5.00
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenyl)-9H-pyrido[2,3-b]indole?
The IUPAC name of 2-(2,4-dimethylphenyl)-9H-pyrido[2,3-b]indole (CID 176621868) is 2-(2,4-dimethylphenyl)-9H-pyrido[2,3-b]indole.
What is the SMILES notation for 2-(2,4-dimethylphenyl)-9H-pyrido[2,3-b]indole?
The canonical SMILES for 2-(2,4-dimethylphenyl)-9H-pyrido[2,3-b]indole is Cc1ccc(-c2ccc3c(n2)[nH]c2ccccc23)c(C)c1.
What is the InChIKey of 2-(2,4-dimethylphenyl)-9H-pyrido[2,3-b]indole?
The InChIKey is ZPNLELFVYCLBDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2/c1-12-7-8-14(13(2)11-12)18-10-9-16-15-5-3-4-6-17(15)20-19(16)21-18/h3-11H,1-2H3,(H,20,21).
What are the key properties of 2-(2,4-dimethylphenyl)-9H-pyrido[2,3-b]indole?
2-(2,4-dimethylphenyl)-9H-pyrido[2,3-b]indole has a molecular weight of 272.35 g/mol, XLogP of 5.00, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenyl)-9H-pyrido[2,3-b]indole is sourced from PubChem (CID 176621868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).