bis[2-(6-methoxynaphthalen-2-yl)-3-pyridinyl]methanone

C33H24N2O3 — CID 54319582

IUPACbis[2-(6-methoxynaphthalen-2-yl)-3-pyridinyl]methanone
SMILESCOc1ccc2cc(-c3ncccc3C(=O)c3cccnc3-c3ccc4cc(OC)ccc4c3)ccc2c1
InChIInChI=1S/C33H24N2O3/c1-37-27-13-11-21-17-25(9-7-23(21)19-27)31-29(5-3-15-34-31)33(36)30-6-4-16-35-32(30)26-10-8-24-20-28(38-2)14-12-22(24)18-26/h3-20H,1-2H3
InChIKeySQRIVDIJNJZOOG-UHFFFAOYSA-N
MW496.57 g/mol
LogP7.37
Rot. Bonds6

About bis[2-(6-methoxynaphthalen-2-yl)-3-pyridinyl]methanone

bis[2-(6-methoxynaphthalen-2-yl)-3-pyridinyl]methanone (PubChem CID 54319582) has the molecular formula C33H24N2O3 and a molecular weight of 496.57 g/mol. Its IUPAC name is bis[2-(6-methoxynaphthalen-2-yl)-3-pyridinyl]methanone.

Molecular Properties

Compound Namebis[2-(6-methoxynaphthalen-2-yl)-3-pyridinyl]methanone
PubChem CID54319582
Molecular FormulaC33H24N2O3
Molecular Weight496.57 g/mol
Exact Mass496.18
IUPAC Namebis[2-(6-methoxynaphthalen-2-yl)-3-pyridinyl]methanone
SMILESCOc1ccc2cc(-c3ncccc3C(=O)c3cccnc3-c3ccc4cc(OC)ccc4c3)ccc2c1
InChIInChI=1S/C33H24N2O3/c1-37-27-13-11-21-17-25(9-7-23(21)19-27)31-29(5-3-15-34-31)33(36)30-6-4-16-35-32(30)26-10-8-24-20-28(38-2)14-12-22(24)18-26/h3-20H,1-2H3
InChIKeySQRIVDIJNJZOOG-UHFFFAOYSA-N
XLogP7.37
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.57
LogP ≤ 57.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of bis[2-(6-methoxynaphthalen-2-yl)-3-pyridinyl]methanone?
The IUPAC name of bis[2-(6-methoxynaphthalen-2-yl)-3-pyridinyl]methanone (CID 54319582) is bis[2-(6-methoxynaphthalen-2-yl)-3-pyridinyl]methanone.
What is the SMILES notation for bis[2-(6-methoxynaphthalen-2-yl)-3-pyridinyl]methanone?
The canonical SMILES for bis[2-(6-methoxynaphthalen-2-yl)-3-pyridinyl]methanone is COc1ccc2cc(-c3ncccc3C(=O)c3cccnc3-c3ccc4cc(OC)ccc4c3)ccc2c1.
What is the InChIKey of bis[2-(6-methoxynaphthalen-2-yl)-3-pyridinyl]methanone?
The InChIKey is SQRIVDIJNJZOOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H24N2O3/c1-37-27-13-11-21-17-25(9-7-23(21)19-27)31-29(5-3-15-34-31)33(36)30-6-4-16-35-32(30)26-10-8-24-20-28(38-2)14-12-22(24)18-26/h3-20H,1-2H3.
What are the key properties of bis[2-(6-methoxynaphthalen-2-yl)-3-pyridinyl]methanone?
bis[2-(6-methoxynaphthalen-2-yl)-3-pyridinyl]methanone has a molecular weight of 496.57 g/mol, XLogP of 7.37, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis[2-(6-methoxynaphthalen-2-yl)-3-pyridinyl]methanone is sourced from PubChem (CID 54319582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).