6-benzyl-5,7-diphenylpyrrolo[3,4-b]pyridine

C26H20N2 — CID 102339468

IUPAC6-benzyl-5,7-diphenylpyrrolo[3,4-b]pyridine
SMILESc1ccc(Cn2c(-c3ccccc3)c3cccnc3c2-c2ccccc2)cc1
InChIInChI=1S/C26H20N2/c1-4-11-20(12-5-1)19-28-25(21-13-6-2-7-14-21)23-17-10-18-27-24(23)26(28)22-15-8-3-9-16-22/h1-18H,19H2
InChIKeyHRXUXUGBOVELQF-UHFFFAOYSA-N
MW360.46 g/mol
LogP6.42
Rot. Bonds4

About 6-benzyl-5,7-diphenylpyrrolo[3,4-b]pyridine

6-benzyl-5,7-diphenylpyrrolo[3,4-b]pyridine (PubChem CID 102339468) has the molecular formula C26H20N2 and a molecular weight of 360.46 g/mol. Its IUPAC name is 6-benzyl-5,7-diphenylpyrrolo[3,4-b]pyridine.

Molecular Properties

Compound Name6-benzyl-5,7-diphenylpyrrolo[3,4-b]pyridine
PubChem CID102339468
Molecular FormulaC26H20N2
Molecular Weight360.46 g/mol
Exact Mass360.16
IUPAC Name6-benzyl-5,7-diphenylpyrrolo[3,4-b]pyridine
SMILESc1ccc(Cn2c(-c3ccccc3)c3cccnc3c2-c2ccccc2)cc1
InChIInChI=1S/C26H20N2/c1-4-11-20(12-5-1)19-28-25(21-13-6-2-7-14-21)23-17-10-18-27-24(23)26(28)22-15-8-3-9-16-22/h1-18H,19H2
InChIKeyHRXUXUGBOVELQF-UHFFFAOYSA-N
XLogP6.42
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.46
LogP ≤ 56.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-benzyl-5,7-diphenylpyrrolo[3,4-b]pyridine?
The IUPAC name of 6-benzyl-5,7-diphenylpyrrolo[3,4-b]pyridine (CID 102339468) is 6-benzyl-5,7-diphenylpyrrolo[3,4-b]pyridine.
What is the SMILES notation for 6-benzyl-5,7-diphenylpyrrolo[3,4-b]pyridine?
The canonical SMILES for 6-benzyl-5,7-diphenylpyrrolo[3,4-b]pyridine is c1ccc(Cn2c(-c3ccccc3)c3cccnc3c2-c2ccccc2)cc1.
What is the InChIKey of 6-benzyl-5,7-diphenylpyrrolo[3,4-b]pyridine?
The InChIKey is HRXUXUGBOVELQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N2/c1-4-11-20(12-5-1)19-28-25(21-13-6-2-7-14-21)23-17-10-18-27-24(23)26(28)22-15-8-3-9-16-22/h1-18H,19H2.
What are the key properties of 6-benzyl-5,7-diphenylpyrrolo[3,4-b]pyridine?
6-benzyl-5,7-diphenylpyrrolo[3,4-b]pyridine has a molecular weight of 360.46 g/mol, XLogP of 6.42, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-5,7-diphenylpyrrolo[3,4-b]pyridine is sourced from PubChem (CID 102339468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).