5-methoxy-2,3-diphenyl-1-pyridin-2-ylindole

C26H20N2O — CID 102261827

IUPAC5-methoxy-2,3-diphenyl-1-pyridin-2-ylindole
SMILESCOc1ccc2c(c1)c(-c1ccccc1)c(-c1ccccc1)n2-c1ccccn1
InChIInChI=1S/C26H20N2O/c1-29-21-15-16-23-22(18-21)25(19-10-4-2-5-11-19)26(20-12-6-3-7-13-20)28(23)24-14-8-9-17-27-24/h2-18H,1H3
InChIKeyJPQCMVNFWHZSGS-UHFFFAOYSA-N
MW376.46 g/mol
LogP6.37
Rot. Bonds4

About 5-methoxy-2,3-diphenyl-1-pyridin-2-ylindole

5-methoxy-2,3-diphenyl-1-pyridin-2-ylindole (PubChem CID 102261827) has the molecular formula C26H20N2O and a molecular weight of 376.46 g/mol. Its IUPAC name is 5-methoxy-2,3-diphenyl-1-pyridin-2-ylindole.

Molecular Properties

Compound Name5-methoxy-2,3-diphenyl-1-pyridin-2-ylindole
PubChem CID102261827
Molecular FormulaC26H20N2O
Molecular Weight376.46 g/mol
Exact Mass376.16
IUPAC Name5-methoxy-2,3-diphenyl-1-pyridin-2-ylindole
SMILESCOc1ccc2c(c1)c(-c1ccccc1)c(-c1ccccc1)n2-c1ccccn1
InChIInChI=1S/C26H20N2O/c1-29-21-15-16-23-22(18-21)25(19-10-4-2-5-11-19)26(20-12-6-3-7-13-20)28(23)24-14-8-9-17-27-24/h2-18H,1H3
InChIKeyJPQCMVNFWHZSGS-UHFFFAOYSA-N
XLogP6.37
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.46
LogP ≤ 56.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2,3-diphenyl-1-pyridin-2-ylindole?
The IUPAC name of 5-methoxy-2,3-diphenyl-1-pyridin-2-ylindole (CID 102261827) is 5-methoxy-2,3-diphenyl-1-pyridin-2-ylindole.
What is the SMILES notation for 5-methoxy-2,3-diphenyl-1-pyridin-2-ylindole?
The canonical SMILES for 5-methoxy-2,3-diphenyl-1-pyridin-2-ylindole is COc1ccc2c(c1)c(-c1ccccc1)c(-c1ccccc1)n2-c1ccccn1.
What is the InChIKey of 5-methoxy-2,3-diphenyl-1-pyridin-2-ylindole?
The InChIKey is JPQCMVNFWHZSGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N2O/c1-29-21-15-16-23-22(18-21)25(19-10-4-2-5-11-19)26(20-12-6-3-7-13-20)28(23)24-14-8-9-17-27-24/h2-18H,1H3.
What are the key properties of 5-methoxy-2,3-diphenyl-1-pyridin-2-ylindole?
5-methoxy-2,3-diphenyl-1-pyridin-2-ylindole has a molecular weight of 376.46 g/mol, XLogP of 6.37, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2,3-diphenyl-1-pyridin-2-ylindole is sourced from PubChem (CID 102261827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).