[1,1,4,4-tetranaphthalen-2-yl-1,3,4-tri(prop-2-enoyloxy)butan-2-yl] prop-2-enoate

C56H42O8 — CID 21353442

IUPAC[1,1,4,4-tetranaphthalen-2-yl-1,3,4-tri(prop-2-enoyloxy)butan-2-yl] prop-2-enoate
SMILESC=CC(=O)OC(C(OC(=O)C=C)C(OC(=O)C=C)(c1ccc2ccccc2c1)c1ccc2ccccc2c1)C(OC(=O)C=C)(c1ccc2ccccc2c1)c1ccc2ccccc2c1
InChIInChI=1S/C56H42O8/c1-5-49(57)61-53(55(63-51(59)7-3,45-29-25-37-17-9-13-21-41(37)33-45)46-30-26-38-18-10-14-22-42(38)34-46)54(62-50(58)6-2)56(64-52(60)8-4,47-31-27-39-19-11-15-23-43(39)35-47)48-32-28-40-20-12-16-24-44(40)36-48/h5-36,53-54H,1-4H2
InChIKeyJFLHYUPCQAKLSG-UHFFFAOYSA-N
MW842.94 g/mol
LogP11.14
Rot. Bonds15

About [1,1,4,4-tetranaphthalen-2-yl-1,3,4-tri(prop-2-enoyloxy)butan-2-yl] prop-2-enoate

[1,1,4,4-tetranaphthalen-2-yl-1,3,4-tri(prop-2-enoyloxy)butan-2-yl] prop-2-enoate (PubChem CID 21353442) has the molecular formula C56H42O8 and a molecular weight of 842.94 g/mol. Its IUPAC name is [1,1,4,4-tetranaphthalen-2-yl-1,3,4-tri(prop-2-enoyloxy)butan-2-yl] prop-2-enoate.

Molecular Properties

Compound Name[1,1,4,4-tetranaphthalen-2-yl-1,3,4-tri(prop-2-enoyloxy)butan-2-yl] prop-2-enoate
PubChem CID21353442
Molecular FormulaC56H42O8
Molecular Weight842.94 g/mol
Exact Mass842.29
IUPAC Name[1,1,4,4-tetranaphthalen-2-yl-1,3,4-tri(prop-2-enoyloxy)butan-2-yl] prop-2-enoate
SMILESC=CC(=O)OC(C(OC(=O)C=C)C(OC(=O)C=C)(c1ccc2ccccc2c1)c1ccc2ccccc2c1)C(OC(=O)C=C)(c1ccc2ccccc2c1)c1ccc2ccccc2c1
InChIInChI=1S/C56H42O8/c1-5-49(57)61-53(55(63-51(59)7-3,45-29-25-37-17-9-13-21-41(37)33-45)46-30-26-38-18-10-14-22-42(38)34-46)54(62-50(58)6-2)56(64-52(60)8-4,47-31-27-39-19-11-15-23-43(39)35-47)48-32-28-40-20-12-16-24-44(40)36-48/h5-36,53-54H,1-4H2
InChIKeyJFLHYUPCQAKLSG-UHFFFAOYSA-N
XLogP11.14
TPSA105.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds15
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500842.94
LogP ≤ 511.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [1,1,4,4-tetranaphthalen-2-yl-1,3,4-tri(prop-2-enoyloxy)butan-2-yl] prop-2-enoate?
The IUPAC name of [1,1,4,4-tetranaphthalen-2-yl-1,3,4-tri(prop-2-enoyloxy)butan-2-yl] prop-2-enoate (CID 21353442) is [1,1,4,4-tetranaphthalen-2-yl-1,3,4-tri(prop-2-enoyloxy)butan-2-yl] prop-2-enoate.
What is the SMILES notation for [1,1,4,4-tetranaphthalen-2-yl-1,3,4-tri(prop-2-enoyloxy)butan-2-yl] prop-2-enoate?
The canonical SMILES for [1,1,4,4-tetranaphthalen-2-yl-1,3,4-tri(prop-2-enoyloxy)butan-2-yl] prop-2-enoate is C=CC(=O)OC(C(OC(=O)C=C)C(OC(=O)C=C)(c1ccc2ccccc2c1)c1ccc2ccccc2c1)C(OC(=O)C=C)(c1ccc2ccccc2c1)c1ccc2ccccc2c1.
What is the InChIKey of [1,1,4,4-tetranaphthalen-2-yl-1,3,4-tri(prop-2-enoyloxy)butan-2-yl] prop-2-enoate?
The InChIKey is JFLHYUPCQAKLSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H42O8/c1-5-49(57)61-53(55(63-51(59)7-3,45-29-25-37-17-9-13-21-41(37)33-45)46-30-26-38-18-10-14-22-42(38)34-46)54(62-50(58)6-2)56(64-52(60)8-4,47-31-27-39-19-11-15-23-43(39)35-47)48-32-28-40-20-12-16-24-44(40)36-48/h5-36,53-54H,1-4H2.
What are the key properties of [1,1,4,4-tetranaphthalen-2-yl-1,3,4-tri(prop-2-enoyloxy)butan-2-yl] prop-2-enoate?
[1,1,4,4-tetranaphthalen-2-yl-1,3,4-tri(prop-2-enoyloxy)butan-2-yl] prop-2-enoate has a molecular weight of 842.94 g/mol, XLogP of 11.14, 15 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [1,1,4,4-tetranaphthalen-2-yl-1,3,4-tri(prop-2-enoyloxy)butan-2-yl] prop-2-enoate is sourced from PubChem (CID 21353442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).