[4-[9-(4-prop-2-enoyloxyphenyl)-10H-anthracen-9-yl]phenyl] prop-2-enoate

C32H24O4 — CID 140948284

IUPAC[4-[9-(4-prop-2-enoyloxyphenyl)-10H-anthracen-9-yl]phenyl] prop-2-enoate
SMILESC=CC(=O)Oc1ccc(C2(c3ccc(OC(=O)C=C)cc3)c3ccccc3Cc3ccccc32)cc1
InChIInChI=1S/C32H24O4/c1-3-30(33)35-26-17-13-24(14-18-26)32(25-15-19-27(20-16-25)36-31(34)4-2)28-11-7-5-9-22(28)21-23-10-6-8-12-29(23)32/h3-20H,1-2,21H2
InChIKeyZOIMKOUVQDQDOC-UHFFFAOYSA-N
MW472.54 g/mol
LogP6.16
Rot. Bonds6

About [4-[9-(4-prop-2-enoyloxyphenyl)-10H-anthracen-9-yl]phenyl] prop-2-enoate

[4-[9-(4-prop-2-enoyloxyphenyl)-10H-anthracen-9-yl]phenyl] prop-2-enoate (PubChem CID 140948284) has the molecular formula C32H24O4 and a molecular weight of 472.54 g/mol. Its IUPAC name is [4-[9-(4-prop-2-enoyloxyphenyl)-10H-anthracen-9-yl]phenyl] prop-2-enoate.

Molecular Properties

Compound Name[4-[9-(4-prop-2-enoyloxyphenyl)-10H-anthracen-9-yl]phenyl] prop-2-enoate
PubChem CID140948284
Molecular FormulaC32H24O4
Molecular Weight472.54 g/mol
Exact Mass472.17
IUPAC Name[4-[9-(4-prop-2-enoyloxyphenyl)-10H-anthracen-9-yl]phenyl] prop-2-enoate
SMILESC=CC(=O)Oc1ccc(C2(c3ccc(OC(=O)C=C)cc3)c3ccccc3Cc3ccccc32)cc1
InChIInChI=1S/C32H24O4/c1-3-30(33)35-26-17-13-24(14-18-26)32(25-15-19-27(20-16-25)36-31(34)4-2)28-11-7-5-9-22(28)21-23-10-6-8-12-29(23)32/h3-20H,1-2,21H2
InChIKeyZOIMKOUVQDQDOC-UHFFFAOYSA-N
XLogP6.16
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.54
LogP ≤ 56.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

[4-[9-(4-hydroxyphenyl)fluoren-9-yl]phenyl] prop-2-enoate
CID 89273761
[4-[9-(4-methoxyphenyl)fluoren-9-yl]phenyl] prop-2-enoate
CID 155279972
(10-oxo-9H-thioxanthen-3-yl) prop-2-enoate
CID 68788509
[4-[9-(4-but-2-enoyloxyphenyl)fluoren-9-yl]phenyl] but-2-enoate
CID 77431190
(4-phenylperoxyphenyl) prop-2-enoate
CID 163991970
oxirane;phenyl prop-2-enoate
CID 87443709
2-[2-[4-[9-[4-[2-(2-prop-2-enoyloxyethoxy)ethoxy]phenyl]fluoren-9-yl]phenoxy]ethoxy]ethyl prop-2-enoate
CID 59702760
phenyl prop-2-enoate;triphenylene
CID 159225619
[4-[4-(4-prop-2-enoyloxyphenyl)sulfanylphenyl]sulfanylphenyl] prop-2-enoate
CID 59739086
[(2S)-2-hydroxy-3-[4-[9-[4-[(2S)-2-hydroxy-3-prop-2-enoyloxypropoxy]phenyl]fluoren-9-yl]phenoxy]propyl] prop-2-enoate
CID 98048093
2-[4-[9-[4-(2-hydroxyethoxy)phenyl]fluoren-9-yl]phenoxy]ethyl prop-2-enoate;2-[4-[9-[4-(2-prop-2-enoyloxyethoxy)phenyl]fluoren-9-yl]phenoxy]ethyl prop-2-enoate
CID 160842245
9-(4-buta-1,3-dien-2-yloxyphenyl)-9-(4-methoxyphenyl)fluorene
CID 155719011

Frequently Asked Questions

What is the IUPAC name of [4-[9-(4-prop-2-enoyloxyphenyl)-10H-anthracen-9-yl]phenyl] prop-2-enoate?
The IUPAC name of [4-[9-(4-prop-2-enoyloxyphenyl)-10H-anthracen-9-yl]phenyl] prop-2-enoate (CID 140948284) is [4-[9-(4-prop-2-enoyloxyphenyl)-10H-anthracen-9-yl]phenyl] prop-2-enoate.
What is the SMILES notation for [4-[9-(4-prop-2-enoyloxyphenyl)-10H-anthracen-9-yl]phenyl] prop-2-enoate?
The canonical SMILES for [4-[9-(4-prop-2-enoyloxyphenyl)-10H-anthracen-9-yl]phenyl] prop-2-enoate is C=CC(=O)Oc1ccc(C2(c3ccc(OC(=O)C=C)cc3)c3ccccc3Cc3ccccc32)cc1.
What is the InChIKey of [4-[9-(4-prop-2-enoyloxyphenyl)-10H-anthracen-9-yl]phenyl] prop-2-enoate?
The InChIKey is ZOIMKOUVQDQDOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H24O4/c1-3-30(33)35-26-17-13-24(14-18-26)32(25-15-19-27(20-16-25)36-31(34)4-2)28-11-7-5-9-22(28)21-23-10-6-8-12-29(23)32/h3-20H,1-2,21H2.
What are the key properties of [4-[9-(4-prop-2-enoyloxyphenyl)-10H-anthracen-9-yl]phenyl] prop-2-enoate?
[4-[9-(4-prop-2-enoyloxyphenyl)-10H-anthracen-9-yl]phenyl] prop-2-enoate has a molecular weight of 472.54 g/mol, XLogP of 6.16, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[9-(4-prop-2-enoyloxyphenyl)-10H-anthracen-9-yl]phenyl] prop-2-enoate is sourced from PubChem (CID 140948284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).