2-[4-[3-[3-[4-(2-prop-2-enoyloxyethoxy)naphthalen-1-yl]naphthalen-2-yl]naphthalen-2-yl]naphthalen-1-yl]oxyethyl prop-2-enoate

C50H38O6 — CID 118232952

IUPAC2-[4-[3-[3-[4-(2-prop-2-enoyloxyethoxy)naphthalen-1-yl]naphthalen-2-yl]naphthalen-2-yl]naphthalen-1-yl]oxyethyl prop-2-enoate
SMILESC=CC(=O)OCCOc1ccc(-c2cc3ccccc3cc2-c2cc3ccccc3cc2-c2ccc(OCCOC(=O)C=C)c3ccccc23)c2ccccc12
InChIInChI=1S/C50H38O6/c1-3-49(51)55-27-25-53-47-23-21-39(37-17-9-11-19-41(37)47)43-29-33-13-5-7-15-35(33)31-45(43)46-32-36-16-8-6-14-34(36)30-44(46)40-22-24-48(42-20-12-10-18-38(40)42)54-26-28-56-50(52)4-2/h3-24,29-32H,1-2,25-28H2
InChIKeyICIBIXMQXQMVMC-UHFFFAOYSA-N
MW734.85 g/mol
LogP11.52
Rot. Bonds13

About 2-[4-[3-[3-[4-(2-prop-2-enoyloxyethoxy)naphthalen-1-yl]naphthalen-2-yl]naphthalen-2-yl]naphthalen-1-yl]oxyethyl prop-2-enoate

2-[4-[3-[3-[4-(2-prop-2-enoyloxyethoxy)naphthalen-1-yl]naphthalen-2-yl]naphthalen-2-yl]naphthalen-1-yl]oxyethyl prop-2-enoate (PubChem CID 118232952) has the molecular formula C50H38O6 and a molecular weight of 734.85 g/mol. Its IUPAC name is 2-[4-[3-[3-[4-(2-prop-2-enoyloxyethoxy)naphthalen-1-yl]naphthalen-2-yl]naphthalen-2-yl]naphthalen-1-yl]oxyethyl prop-2-enoate.

Molecular Properties

Compound Name2-[4-[3-[3-[4-(2-prop-2-enoyloxyethoxy)naphthalen-1-yl]naphthalen-2-yl]naphthalen-2-yl]naphthalen-1-yl]oxyethyl prop-2-enoate
PubChem CID118232952
Molecular FormulaC50H38O6
Molecular Weight734.85 g/mol
Exact Mass734.27
IUPAC Name2-[4-[3-[3-[4-(2-prop-2-enoyloxyethoxy)naphthalen-1-yl]naphthalen-2-yl]naphthalen-2-yl]naphthalen-1-yl]oxyethyl prop-2-enoate
SMILESC=CC(=O)OCCOc1ccc(-c2cc3ccccc3cc2-c2cc3ccccc3cc2-c2ccc(OCCOC(=O)C=C)c3ccccc23)c2ccccc12
InChIInChI=1S/C50H38O6/c1-3-49(51)55-27-25-53-47-23-21-39(37-17-9-11-19-41(37)47)43-29-33-13-5-7-15-35(33)31-45(43)46-32-36-16-8-6-14-34(36)30-44(46)40-22-24-48(42-20-12-10-18-38(40)42)54-26-28-56-50(52)4-2/h3-24,29-32H,1-2,25-28H2
InChIKeyICIBIXMQXQMVMC-UHFFFAOYSA-N
XLogP11.52
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500734.85
LogP ≤ 511.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[4-[3-[3-[4-(2-prop-2-enoyloxyethoxy)naphthalen-1-yl]naphthalen-2-yl]naphthalen-2-yl]naphthalen-1-yl]oxyethyl prop-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-hydroxy-3-(2-prop-2-enoyloxyethoxy)naphthalene-1-carboxylic acid
CID 22348600
4-[1-(2-hydroxynaphthalen-1-yl)naphthalen-2-yl]oxybutyl prop-2-enoate
CID 22913120
2-anthracen-9-ylethyl prop-2-enoate
CID 18335281
2-[2-(2-hydroxyethoxy)phenoxy]ethyl prop-2-enoate
CID 147852586
6-(1-formylnaphthalen-2-yl)oxyhexyl prop-2-enoate
CID 20798470
2-[2-[2-[2-phenyl-4-[3-phenyl-4-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethoxy]phenyl]phenoxy]ethoxy]ethoxy]ethyl prop-2-enoate
CID 139696115
2-(2-prop-2-enoyloxyethoxy)benzoic acid
CID 18974630
6-naphthalen-2-yloxyhexyl prop-2-enoate
CID 22598602
11-naphthalen-2-yloxyundecyl prop-2-enoate
CID 164916140
2-[3-benzo[c]carbazol-7-yl-5-(2-prop-2-enoyloxyethoxy)phenoxy]ethyl prop-2-enoate
CID 163994910
2-naphthalen-2-yloxyethyl 2-methylprop-2-enoate;2-naphthalen-2-yloxyethyl prop-2-enoate
CID 139533290
2-cinnolin-4-yloxyethyl prop-2-enoate
CID 59502687

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-[3-[4-(2-prop-2-enoyloxyethoxy)naphthalen-1-yl]naphthalen-2-yl]naphthalen-2-yl]naphthalen-1-yl]oxyethyl prop-2-enoate?
The IUPAC name of 2-[4-[3-[3-[4-(2-prop-2-enoyloxyethoxy)naphthalen-1-yl]naphthalen-2-yl]naphthalen-2-yl]naphthalen-1-yl]oxyethyl prop-2-enoate (CID 118232952) is 2-[4-[3-[3-[4-(2-prop-2-enoyloxyethoxy)naphthalen-1-yl]naphthalen-2-yl]naphthalen-2-yl]naphthalen-1-yl]oxyethyl prop-2-enoate.
What is the SMILES notation for 2-[4-[3-[3-[4-(2-prop-2-enoyloxyethoxy)naphthalen-1-yl]naphthalen-2-yl]naphthalen-2-yl]naphthalen-1-yl]oxyethyl prop-2-enoate?
The canonical SMILES for 2-[4-[3-[3-[4-(2-prop-2-enoyloxyethoxy)naphthalen-1-yl]naphthalen-2-yl]naphthalen-2-yl]naphthalen-1-yl]oxyethyl prop-2-enoate is C=CC(=O)OCCOc1ccc(-c2cc3ccccc3cc2-c2cc3ccccc3cc2-c2ccc(OCCOC(=O)C=C)c3ccccc23)c2ccccc12.
What is the InChIKey of 2-[4-[3-[3-[4-(2-prop-2-enoyloxyethoxy)naphthalen-1-yl]naphthalen-2-yl]naphthalen-2-yl]naphthalen-1-yl]oxyethyl prop-2-enoate?
The InChIKey is ICIBIXMQXQMVMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H38O6/c1-3-49(51)55-27-25-53-47-23-21-39(37-17-9-11-19-41(37)47)43-29-33-13-5-7-15-35(33)31-45(43)46-32-36-16-8-6-14-34(36)30-44(46)40-22-24-48(42-20-12-10-18-38(40)42)54-26-28-56-50(52)4-2/h3-24,29-32H,1-2,25-28H2.
What are the key properties of 2-[4-[3-[3-[4-(2-prop-2-enoyloxyethoxy)naphthalen-1-yl]naphthalen-2-yl]naphthalen-2-yl]naphthalen-1-yl]oxyethyl prop-2-enoate?
2-[4-[3-[3-[4-(2-prop-2-enoyloxyethoxy)naphthalen-1-yl]naphthalen-2-yl]naphthalen-2-yl]naphthalen-1-yl]oxyethyl prop-2-enoate has a molecular weight of 734.85 g/mol, XLogP of 11.52, 13 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-[3-[4-(2-prop-2-enoyloxyethoxy)naphthalen-1-yl]naphthalen-2-yl]naphthalen-2-yl]naphthalen-1-yl]oxyethyl prop-2-enoate is sourced from PubChem (CID 118232952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).