(Z)-4-methoxy-1,1,1,5,5,5-hexakis-phenylpent-3-en-2-one

C42H34O2 — CID 59782170

IUPAC(Z)-4-methoxy-1,1,1,5,5,5-hexakis-phenylpent-3-en-2-one
SMILESCO/C(=C\C(=O)C(c1ccccc1)(c1ccccc1)c1ccccc1)C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C42H34O2/c1-44-40(42(36-26-14-5-15-27-36,37-28-16-6-17-29-37)38-30-18-7-19-31-38)32-39(43)41(33-20-8-2-9-21-33,34-22-10-3-11-23-34)35-24-12-4-13-25-35/h2-32H,1H3/b40-32-
InChIKeyZWBATWCPVOLNRT-KCFYYHDHSA-N
MW570.73 g/mol
LogP9.15
Rot. Bonds10

About (Z)-4-methoxy-1,1,1,5,5,5-hexakis-phenylpent-3-en-2-one

(Z)-4-methoxy-1,1,1,5,5,5-hexakis-phenylpent-3-en-2-one (PubChem CID 59782170) has the molecular formula C42H34O2 and a molecular weight of 570.73 g/mol. Its IUPAC name is (Z)-4-methoxy-1,1,1,5,5,5-hexakis-phenylpent-3-en-2-one.

Molecular Properties

Compound Name(Z)-4-methoxy-1,1,1,5,5,5-hexakis-phenylpent-3-en-2-one
PubChem CID59782170
Molecular FormulaC42H34O2
Molecular Weight570.73 g/mol
Exact Mass570.26
IUPAC Name(Z)-4-methoxy-1,1,1,5,5,5-hexakis-phenylpent-3-en-2-one
SMILESCO/C(=C\C(=O)C(c1ccccc1)(c1ccccc1)c1ccccc1)C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C42H34O2/c1-44-40(42(36-26-14-5-15-27-36,37-28-16-6-17-29-37)38-30-18-7-19-31-38)32-39(43)41(33-20-8-2-9-21-33,34-22-10-3-11-23-34)35-24-12-4-13-25-35/h2-32H,1H3/b40-32-
InChIKeyZWBATWCPVOLNRT-KCFYYHDHSA-N
XLogP9.15
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.73
LogP ≤ 59.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

N-methoxy-2,2,2-triphenylacetamide
CID 175153772
methyl 2-(2-methylphenyl)-2,2-diphenylacetate
CID 620898
(E)-1,1,1,4,6-pentakis-phenylhex-3-en-2-one
CID 5376836
(2,2,2-triphenylacetyl) 2,2,2-triphenylacetate
CID 22605235
methyl 2,2-dibromo-2-phenylacetate
CID 59974916
dimethyl 2-phenyl-2-propan-2-ylpropanedioate
CID 142728088
dimethyl-[(Z)-1,1,1-triphenylbut-2-en-2-yl]oxyalumane
CID 135050435
(Z)-4-methoxy-N-methyl-1,1,1-triphenylpent-3-en-2-imine
CID 59782148
(2,3-dimethoxy-1,1-diphenylpent-2-enyl)benzene
CID 67563916
methyl 2-fluoro-2,2-diphenylacetate
CID 13222568
tert-butyl 2,2,2-triphenylacetate;hydrogen peroxide
CID 174664507
N-(2-methoxyphenyl)-2,2,2-triphenylacetamide
CID 11188554

Frequently Asked Questions

What is the IUPAC name of (Z)-4-methoxy-1,1,1,5,5,5-hexakis-phenylpent-3-en-2-one?
The IUPAC name of (Z)-4-methoxy-1,1,1,5,5,5-hexakis-phenylpent-3-en-2-one (CID 59782170) is (Z)-4-methoxy-1,1,1,5,5,5-hexakis-phenylpent-3-en-2-one.
What is the SMILES notation for (Z)-4-methoxy-1,1,1,5,5,5-hexakis-phenylpent-3-en-2-one?
The canonical SMILES for (Z)-4-methoxy-1,1,1,5,5,5-hexakis-phenylpent-3-en-2-one is CO/C(=C\C(=O)C(c1ccccc1)(c1ccccc1)c1ccccc1)C(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (Z)-4-methoxy-1,1,1,5,5,5-hexakis-phenylpent-3-en-2-one?
The InChIKey is ZWBATWCPVOLNRT-KCFYYHDHSA-N. The full InChI is InChI=1S/C42H34O2/c1-44-40(42(36-26-14-5-15-27-36,37-28-16-6-17-29-37)38-30-18-7-19-31-38)32-39(43)41(33-20-8-2-9-21-33,34-22-10-3-11-23-34)35-24-12-4-13-25-35/h2-32H,1H3/b40-32-.
What are the key properties of (Z)-4-methoxy-1,1,1,5,5,5-hexakis-phenylpent-3-en-2-one?
(Z)-4-methoxy-1,1,1,5,5,5-hexakis-phenylpent-3-en-2-one has a molecular weight of 570.73 g/mol, XLogP of 9.15, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-methoxy-1,1,1,5,5,5-hexakis-phenylpent-3-en-2-one is sourced from PubChem (CID 59782170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).