6-benzhydrylidene-2,3,5,5-tetraphenyl-3H-pyridin-4-one

C42H31NO — CID 15684853

IUPAC6-benzhydrylidene-2,3,5,5-tetraphenyl-3H-pyridin-4-one
SMILESO=C1C(c2ccccc2)C(c2ccccc2)=NC(=C(c2ccccc2)c2ccccc2)C1(c1ccccc1)c1ccccc1
InChIInChI=1S/C42H31NO/c44-41-38(33-23-11-3-12-24-33)39(34-25-13-4-14-26-34)43-40(37(31-19-7-1-8-20-31)32-21-9-2-10-22-32)42(41,35-27-15-5-16-28-35)36-29-17-6-18-30-36/h1-30,38H
InChIKeyHXGSSTZSJHKMOP-UHFFFAOYSA-N
MW565.72 g/mol
LogP9.29
Rot. Bonds6

About 6-benzhydrylidene-2,3,5,5-tetraphenyl-3H-pyridin-4-one

6-benzhydrylidene-2,3,5,5-tetraphenyl-3H-pyridin-4-one (PubChem CID 15684853) has the molecular formula C42H31NO and a molecular weight of 565.72 g/mol. Its IUPAC name is 6-benzhydrylidene-2,3,5,5-tetraphenyl-3H-pyridin-4-one.

Molecular Properties

Compound Name6-benzhydrylidene-2,3,5,5-tetraphenyl-3H-pyridin-4-one
PubChem CID15684853
Molecular FormulaC42H31NO
Molecular Weight565.72 g/mol
Exact Mass565.24
IUPAC Name6-benzhydrylidene-2,3,5,5-tetraphenyl-3H-pyridin-4-one
SMILESO=C1C(c2ccccc2)C(c2ccccc2)=NC(=C(c2ccccc2)c2ccccc2)C1(c1ccccc1)c1ccccc1
InChIInChI=1S/C42H31NO/c44-41-38(33-23-11-3-12-24-33)39(34-25-13-4-14-26-34)43-40(37(31-19-7-1-8-20-31)32-21-9-2-10-22-32)42(41,35-27-15-5-16-28-35)36-29-17-6-18-30-36/h1-30,38H
InChIKeyHXGSSTZSJHKMOP-UHFFFAOYSA-N
XLogP9.29
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500565.72
LogP ≤ 59.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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1-(1-adamantyl)-2-(3,3-dimethyl-4H-isoquinolin-1-yl)propan-1-one
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1-(1-adamantyl)-2-(3,3-dimethyl-4H-isoquinolin-1-yl)propan-1-one;hydrochloride
CID 22290832
bis[2-[1-(3,3-dimethyl-4H-isoquinolin-1-yl)cyclohexyl]phenyl]methanone
CID 69213474
1-[5-(C-benzhydryl-N-benzylcarbonimidoyl)cyclopenta-1,3-dien-1-yl]-2,2-diphenylethanone
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1-(1-adamantyl)-2-(3,3-dimethyl-4H-isoquinolin-1-yl)ethanone
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1-[5-(C-benzhydryl-N-benzylcarbonimidoyl)cyclopenta-1,4-dien-1-yl]-2,2-diphenylethanone
CID 123928030
1,7-Didiazo-3,5-dimethyl-1,3,5,7-tetraphenylheptan-4-one
CID 139716400
Ethane;methane;1,1,1-triphenylpropan-2-one;1,1,1-triphenylpropan-2-ylideneazanide;yttrium
CID 157834364
iridium(3+);2,2,6,6-tetramethylheptane-3,5-dione;bis(3,5,6-triphenyl-2H-pyrazin-2-ide)
CID 160382497

Frequently Asked Questions

What is the IUPAC name of 6-benzhydrylidene-2,3,5,5-tetraphenyl-3H-pyridin-4-one?
The IUPAC name of 6-benzhydrylidene-2,3,5,5-tetraphenyl-3H-pyridin-4-one (CID 15684853) is 6-benzhydrylidene-2,3,5,5-tetraphenyl-3H-pyridin-4-one.
What is the SMILES notation for 6-benzhydrylidene-2,3,5,5-tetraphenyl-3H-pyridin-4-one?
The canonical SMILES for 6-benzhydrylidene-2,3,5,5-tetraphenyl-3H-pyridin-4-one is O=C1C(c2ccccc2)C(c2ccccc2)=NC(=C(c2ccccc2)c2ccccc2)C1(c1ccccc1)c1ccccc1.
What is the InChIKey of 6-benzhydrylidene-2,3,5,5-tetraphenyl-3H-pyridin-4-one?
The InChIKey is HXGSSTZSJHKMOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H31NO/c44-41-38(33-23-11-3-12-24-33)39(34-25-13-4-14-26-34)43-40(37(31-19-7-1-8-20-31)32-21-9-2-10-22-32)42(41,35-27-15-5-16-28-35)36-29-17-6-18-30-36/h1-30,38H.
What are the key properties of 6-benzhydrylidene-2,3,5,5-tetraphenyl-3H-pyridin-4-one?
6-benzhydrylidene-2,3,5,5-tetraphenyl-3H-pyridin-4-one has a molecular weight of 565.72 g/mol, XLogP of 9.29, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzhydrylidene-2,3,5,5-tetraphenyl-3H-pyridin-4-one is sourced from PubChem (CID 15684853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).