bis[4-[5-benzoyl-1-(2-hydroxyethyl)-4-naphthalen-2-yl-4H-pyridin-3-yl]phenyl]methanone

C61H48N2O5 — CID 91457902

IUPACbis[4-[5-benzoyl-1-(2-hydroxyethyl)-4-naphthalen-2-yl-4H-pyridin-3-yl]phenyl]methanone
SMILESO=C(C1=CN(CCO)C=C(c2ccc(C(=O)c3ccc(C4=CN(CCO)C=C(C(=O)c5ccccc5)C4c4ccc5ccccc5c4)cc3)cc2)C1c1ccc2ccccc2c1)c1ccccc1
InChIInChI=1S/C61H48N2O5/c64-33-31-62-37-53(57(51-29-19-41-11-7-9-17-49(41)35-51)55(39-62)60(67)45-13-3-1-4-14-45)43-21-25-47(26-22-43)59(66)48-27-23-44(24-28-48)54-38-63(32-34-65)40-56(61(68)46-15-5-2-6-16-46)58(54)52-30-20-42-12-8-10-18-50(42)36-52/h1-30,35-40,57-58,64-65H,31-34H2
InChIKeyHCVJVEUGNYJAAZ-UHFFFAOYSA-N
MW889.06 g/mol
LogP11.62
Rot. Bonds14

About bis[4-[5-benzoyl-1-(2-hydroxyethyl)-4-naphthalen-2-yl-4H-pyridin-3-yl]phenyl]methanone

bis[4-[5-benzoyl-1-(2-hydroxyethyl)-4-naphthalen-2-yl-4H-pyridin-3-yl]phenyl]methanone (PubChem CID 91457902) has the molecular formula C61H48N2O5 and a molecular weight of 889.06 g/mol. Its IUPAC name is bis[4-[5-benzoyl-1-(2-hydroxyethyl)-4-naphthalen-2-yl-4H-pyridin-3-yl]phenyl]methanone.

Molecular Properties

Compound Namebis[4-[5-benzoyl-1-(2-hydroxyethyl)-4-naphthalen-2-yl-4H-pyridin-3-yl]phenyl]methanone
PubChem CID91457902
Molecular FormulaC61H48N2O5
Molecular Weight889.06 g/mol
Exact Mass888.36
IUPAC Namebis[4-[5-benzoyl-1-(2-hydroxyethyl)-4-naphthalen-2-yl-4H-pyridin-3-yl]phenyl]methanone
SMILESO=C(C1=CN(CCO)C=C(c2ccc(C(=O)c3ccc(C4=CN(CCO)C=C(C(=O)c5ccccc5)C4c4ccc5ccccc5c4)cc3)cc2)C1c1ccc2ccccc2c1)c1ccccc1
InChIInChI=1S/C61H48N2O5/c64-33-31-62-37-53(57(51-29-19-41-11-7-9-17-49(41)35-51)55(39-62)60(67)45-13-3-1-4-14-45)43-21-25-47(26-22-43)59(66)48-27-23-44(24-28-48)54-38-63(32-34-65)40-56(61(68)46-15-5-2-6-16-46)58(54)52-30-20-42-12-8-10-18-50(42)36-52/h1-30,35-40,57-58,64-65H,31-34H2
InChIKeyHCVJVEUGNYJAAZ-UHFFFAOYSA-N
XLogP11.62
TPSA98.15 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500889.06
LogP ≤ 511.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of bis[4-[5-benzoyl-1-(2-hydroxyethyl)-4-naphthalen-2-yl-4H-pyridin-3-yl]phenyl]methanone?
The IUPAC name of bis[4-[5-benzoyl-1-(2-hydroxyethyl)-4-naphthalen-2-yl-4H-pyridin-3-yl]phenyl]methanone (CID 91457902) is bis[4-[5-benzoyl-1-(2-hydroxyethyl)-4-naphthalen-2-yl-4H-pyridin-3-yl]phenyl]methanone.
What is the SMILES notation for bis[4-[5-benzoyl-1-(2-hydroxyethyl)-4-naphthalen-2-yl-4H-pyridin-3-yl]phenyl]methanone?
The canonical SMILES for bis[4-[5-benzoyl-1-(2-hydroxyethyl)-4-naphthalen-2-yl-4H-pyridin-3-yl]phenyl]methanone is O=C(C1=CN(CCO)C=C(c2ccc(C(=O)c3ccc(C4=CN(CCO)C=C(C(=O)c5ccccc5)C4c4ccc5ccccc5c4)cc3)cc2)C1c1ccc2ccccc2c1)c1ccccc1.
What is the InChIKey of bis[4-[5-benzoyl-1-(2-hydroxyethyl)-4-naphthalen-2-yl-4H-pyridin-3-yl]phenyl]methanone?
The InChIKey is HCVJVEUGNYJAAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H48N2O5/c64-33-31-62-37-53(57(51-29-19-41-11-7-9-17-49(41)35-51)55(39-62)60(67)45-13-3-1-4-14-45)43-21-25-47(26-22-43)59(66)48-27-23-44(24-28-48)54-38-63(32-34-65)40-56(61(68)46-15-5-2-6-16-46)58(54)52-30-20-42-12-8-10-18-50(42)36-52/h1-30,35-40,57-58,64-65H,31-34H2.
What are the key properties of bis[4-[5-benzoyl-1-(2-hydroxyethyl)-4-naphthalen-2-yl-4H-pyridin-3-yl]phenyl]methanone?
bis[4-[5-benzoyl-1-(2-hydroxyethyl)-4-naphthalen-2-yl-4H-pyridin-3-yl]phenyl]methanone has a molecular weight of 889.06 g/mol, XLogP of 11.62, 14 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for bis[4-[5-benzoyl-1-(2-hydroxyethyl)-4-naphthalen-2-yl-4H-pyridin-3-yl]phenyl]methanone is sourced from PubChem (CID 91457902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).