4,4,6,6-tetraphenylcyclohex-2-en-1-one

C30H24O — CID 5248169

IUPAC4,4,6,6-tetraphenylcyclohex-2-en-1-one
SMILESO=C1C=CC(c2ccccc2)(c2ccccc2)CC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H24O/c31-28-21-22-29(24-13-5-1-6-14-24,25-15-7-2-8-16-25)23-30(28,26-17-9-3-10-18-26)27-19-11-4-12-20-27/h1-22H,23H2
InChIKeyIBLXGDFNDJSLLF-UHFFFAOYSA-N
MW400.52 g/mol
LogP6.49
Rot. Bonds4

About 4,4,6,6-tetraphenylcyclohex-2-en-1-one

4,4,6,6-tetraphenylcyclohex-2-en-1-one (PubChem CID 5248169) has the molecular formula C30H24O and a molecular weight of 400.52 g/mol. Its IUPAC name is 4,4,6,6-tetraphenylcyclohex-2-en-1-one.

Molecular Properties

Compound Name4,4,6,6-tetraphenylcyclohex-2-en-1-one
PubChem CID5248169
Molecular FormulaC30H24O
Molecular Weight400.52 g/mol
Exact Mass400.18
IUPAC Name4,4,6,6-tetraphenylcyclohex-2-en-1-one
SMILESO=C1C=CC(c2ccccc2)(c2ccccc2)CC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H24O/c31-28-21-22-29(24-13-5-1-6-14-24,25-15-7-2-8-16-25)23-30(28,26-17-9-3-10-18-26)27-19-11-4-12-20-27/h1-22H,23H2
InChIKeyIBLXGDFNDJSLLF-UHFFFAOYSA-N
XLogP6.49
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.52
LogP ≤ 56.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3,3,5,5-tetraphenylcyclopentane-1,2-dione
CID 141043374
4,4,6-triphenylcyclohex-2-en-1-one
CID 11012776
(4,4-dimethyl-1-phenylcyclopent-2-en-1-yl)benzene;hydrate
CID 145427653
(6R)-6-[(1S)-1-hydroxy-2,2-diphenylethyl]-4,4-diphenylcyclohex-2-en-1-one
CID 139057610
(1,3,3-triphenylcyclobutyl)benzene
CID 101271353
2,2-diphenylfuran-3-one
CID 154310558
4,4-diphenyl-3H-oxathiine
CID 18995298
2,2-diphenylcyclopropane-1,1-dicarboxylic acid
CID 18401961
4,4-diphenylcyclopentane-1,2-dione
CID 15724710
(1S,2S,6S,7S)-1,7-diphenyl-4-oxatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 98116514
(1R,5R)-1-methyl-5-phenylbicyclo[3.1.0]hexan-3-one
CID 132839315
1-[(4-tert-butylphenyl)methyl]-3,3-diphenyl-2H-pyridin-6-one
CID 101414265

Frequently Asked Questions

What is the IUPAC name of 4,4,6,6-tetraphenylcyclohex-2-en-1-one?
The IUPAC name of 4,4,6,6-tetraphenylcyclohex-2-en-1-one (CID 5248169) is 4,4,6,6-tetraphenylcyclohex-2-en-1-one.
What is the SMILES notation for 4,4,6,6-tetraphenylcyclohex-2-en-1-one?
The canonical SMILES for 4,4,6,6-tetraphenylcyclohex-2-en-1-one is O=C1C=CC(c2ccccc2)(c2ccccc2)CC1(c1ccccc1)c1ccccc1.
What is the InChIKey of 4,4,6,6-tetraphenylcyclohex-2-en-1-one?
The InChIKey is IBLXGDFNDJSLLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24O/c31-28-21-22-29(24-13-5-1-6-14-24,25-15-7-2-8-16-25)23-30(28,26-17-9-3-10-18-26)27-19-11-4-12-20-27/h1-22H,23H2.
What are the key properties of 4,4,6,6-tetraphenylcyclohex-2-en-1-one?
4,4,6,6-tetraphenylcyclohex-2-en-1-one has a molecular weight of 400.52 g/mol, XLogP of 6.49, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,6,6-tetraphenylcyclohex-2-en-1-one is sourced from PubChem (CID 5248169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).