[1-anthracen-9-yl-2,2-bis(2,4,6-trimethylphenyl)ethenyl] acetate

C36H34O2 — CID 10255362

IUPAC[1-anthracen-9-yl-2,2-bis(2,4,6-trimethylphenyl)ethenyl] acetate
SMILESCC(=O)OC(=C(c1c(C)cc(C)cc1C)c1c(C)cc(C)cc1C)c1c2ccccc2cc2ccccc12
InChIInChI=1S/C36H34O2/c1-21-16-23(3)32(24(4)17-21)35(33-25(5)18-22(2)19-26(33)6)36(38-27(7)37)34-30-14-10-8-12-28(30)20-29-13-9-11-15-31(29)34/h8-20H,1-7H3
InChIKeyLFWUIDDEPPDIGK-UHFFFAOYSA-N
MW498.67 g/mol
LogP9.32
Rot. Bonds4

About [1-anthracen-9-yl-2,2-bis(2,4,6-trimethylphenyl)ethenyl] acetate

[1-anthracen-9-yl-2,2-bis(2,4,6-trimethylphenyl)ethenyl] acetate (PubChem CID 10255362) has the molecular formula C36H34O2 and a molecular weight of 498.67 g/mol. Its IUPAC name is [1-anthracen-9-yl-2,2-bis(2,4,6-trimethylphenyl)ethenyl] acetate.

Molecular Properties

Compound Name[1-anthracen-9-yl-2,2-bis(2,4,6-trimethylphenyl)ethenyl] acetate
PubChem CID10255362
Molecular FormulaC36H34O2
Molecular Weight498.67 g/mol
Exact Mass498.26
IUPAC Name[1-anthracen-9-yl-2,2-bis(2,4,6-trimethylphenyl)ethenyl] acetate
SMILESCC(=O)OC(=C(c1c(C)cc(C)cc1C)c1c(C)cc(C)cc1C)c1c2ccccc2cc2ccccc12
InChIInChI=1S/C36H34O2/c1-21-16-23(3)32(24(4)17-21)35(33-25(5)18-22(2)19-26(33)6)36(38-27(7)37)34-30-14-10-8-12-28(30)20-29-13-9-11-15-31(29)34/h8-20H,1-7H3
InChIKeyLFWUIDDEPPDIGK-UHFFFAOYSA-N
XLogP9.32
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.67
LogP ≤ 59.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

1-(2,3-dimethylnaphthalen-1-yl)ethanone
CID 19884371
1,3-dimethylnaphthalene;ethane
CID 145447624
3-(anthracene-9-carbonyl)pentane-2,4-dione
CID 102379798
[2-oxo-2-(2,4,6-trimethylphenyl)ethyl] naphthalene-1-carboxylate
CID 2450228
(2-anthracen-9-yl-3-oxoprop-2-enyl) acetate
CID 154175956
[diacetyloxy(anthracen-9-yl)silyl] acetate
CID 175144340
propan-2-yl anthracene-9-carboxylate
CID 12646743
1,3-dimethylnaphthalene-2-carbonyl chloride
CID 54124479
anthracen-9-ylmethyl acetate
CID 27876
1-(1-hydroxyanthracen-9-yl)ethanone
CID 21140475
1-amino-3-methylnaphthalene-2-carboxylic acid
CID 45089580
(2,4,6-trimethylbenzoyl) quinoline-2-carboxylate
CID 18335638

Frequently Asked Questions

What is the IUPAC name of [1-anthracen-9-yl-2,2-bis(2,4,6-trimethylphenyl)ethenyl] acetate?
The IUPAC name of [1-anthracen-9-yl-2,2-bis(2,4,6-trimethylphenyl)ethenyl] acetate (CID 10255362) is [1-anthracen-9-yl-2,2-bis(2,4,6-trimethylphenyl)ethenyl] acetate.
What is the SMILES notation for [1-anthracen-9-yl-2,2-bis(2,4,6-trimethylphenyl)ethenyl] acetate?
The canonical SMILES for [1-anthracen-9-yl-2,2-bis(2,4,6-trimethylphenyl)ethenyl] acetate is CC(=O)OC(=C(c1c(C)cc(C)cc1C)c1c(C)cc(C)cc1C)c1c2ccccc2cc2ccccc12.
What is the InChIKey of [1-anthracen-9-yl-2,2-bis(2,4,6-trimethylphenyl)ethenyl] acetate?
The InChIKey is LFWUIDDEPPDIGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H34O2/c1-21-16-23(3)32(24(4)17-21)35(33-25(5)18-22(2)19-26(33)6)36(38-27(7)37)34-30-14-10-8-12-28(30)20-29-13-9-11-15-31(29)34/h8-20H,1-7H3.
What are the key properties of [1-anthracen-9-yl-2,2-bis(2,4,6-trimethylphenyl)ethenyl] acetate?
[1-anthracen-9-yl-2,2-bis(2,4,6-trimethylphenyl)ethenyl] acetate has a molecular weight of 498.67 g/mol, XLogP of 9.32, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-anthracen-9-yl-2,2-bis(2,4,6-trimethylphenyl)ethenyl] acetate is sourced from PubChem (CID 10255362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).