[4-[3-[(4-phenylphenyl)-[2-prop-2-enoyloxy-5-(4-prop-2-enoyloxyphenyl)phenyl]methyl]-4-prop-2-enoyloxyphenyl]cyclohexa-2,4-dien-1-yl] prop-2-enoate

C49H38O8 — CID 134550742

IUPAC[4-[3-[(4-phenylphenyl)-[2-prop-2-enoyloxy-5-(4-prop-2-enoyloxyphenyl)phenyl]methyl]-4-prop-2-enoyloxyphenyl]cyclohexa-2,4-dien-1-yl] prop-2-enoate
SMILESC=CC(=O)Oc1ccc(-c2ccc(OC(=O)C=C)c(C(c3ccc(-c4ccccc4)cc3)c3cc(C4=CCC(OC(=O)C=C)C=C4)ccc3OC(=O)C=C)c2)cc1
InChIInChI=1S/C49H38O8/c1-5-45(50)54-39-24-18-34(19-25-39)37-22-28-43(56-47(52)7-3)41(30-37)49(36-16-14-33(15-17-36)32-12-10-9-11-13-32)42-31-38(23-29-44(42)57-48(53)8-4)35-20-26-40(27-21-35)55-46(51)6-2/h5-26,28-31,40,49H,1-4,27H2
InChIKeySANLMRMVGGALIS-UHFFFAOYSA-N
MW754.83 g/mol
LogP9.92
Rot. Bonds14

About [4-[3-[(4-phenylphenyl)-[2-prop-2-enoyloxy-5-(4-prop-2-enoyloxyphenyl)phenyl]methyl]-4-prop-2-enoyloxyphenyl]cyclohexa-2,4-dien-1-yl] prop-2-enoate

[4-[3-[(4-phenylphenyl)-[2-prop-2-enoyloxy-5-(4-prop-2-enoyloxyphenyl)phenyl]methyl]-4-prop-2-enoyloxyphenyl]cyclohexa-2,4-dien-1-yl] prop-2-enoate (PubChem CID 134550742) has the molecular formula C49H38O8 and a molecular weight of 754.83 g/mol. Its IUPAC name is [4-[3-[(4-phenylphenyl)-[2-prop-2-enoyloxy-5-(4-prop-2-enoyloxyphenyl)phenyl]methyl]-4-prop-2-enoyloxyphenyl]cyclohexa-2,4-dien-1-yl] prop-2-enoate.

Molecular Properties

Compound Name[4-[3-[(4-phenylphenyl)-[2-prop-2-enoyloxy-5-(4-prop-2-enoyloxyphenyl)phenyl]methyl]-4-prop-2-enoyloxyphenyl]cyclohexa-2,4-dien-1-yl] prop-2-enoate
PubChem CID134550742
Molecular FormulaC49H38O8
Molecular Weight754.83 g/mol
Exact Mass754.26
IUPAC Name[4-[3-[(4-phenylphenyl)-[2-prop-2-enoyloxy-5-(4-prop-2-enoyloxyphenyl)phenyl]methyl]-4-prop-2-enoyloxyphenyl]cyclohexa-2,4-dien-1-yl] prop-2-enoate
SMILESC=CC(=O)Oc1ccc(-c2ccc(OC(=O)C=C)c(C(c3ccc(-c4ccccc4)cc3)c3cc(C4=CCC(OC(=O)C=C)C=C4)ccc3OC(=O)C=C)c2)cc1
InChIInChI=1S/C49H38O8/c1-5-45(50)54-39-24-18-34(19-25-39)37-22-28-43(56-47(52)7-3)41(30-37)49(36-16-14-33(15-17-36)32-12-10-9-11-13-32)42-31-38(23-29-44(42)57-48(53)8-4)35-20-26-40(27-21-35)55-46(51)6-2/h5-26,28-31,40,49H,1-4,27H2
InChIKeySANLMRMVGGALIS-UHFFFAOYSA-N
XLogP9.92
TPSA105.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500754.83
LogP ≤ 59.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze [4-[3-[(4-phenylphenyl)-[2-prop-2-enoyloxy-5-(4-prop-2-enoyloxyphenyl)phenyl]methyl]-4-prop-2-enoyloxyphenyl]cyclohexa-2,4-dien-1-yl] prop-2-enoate with MolForge

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Related Compounds

[4-[3-[[4-[bis[2-prop-2-enoyloxy-5-(4-prop-2-enoyloxyphenyl)phenyl]methyl]phenyl]-[2-prop-2-enoyloxy-5-(4-prop-2-enoyloxyphenyl)phenyl]methyl]-4-prop-2-enoyloxyphenyl]phenyl] prop-2-enoate
CID 135225857
[4-(4-prop-2-enoyloxycyclohexa-1,5-dien-1-yl)phenyl] 4-hydroxybenzoate
CID 143452408
[4-[bis(4-prop-2-enoyloxyphenyl)methyl]phenyl] prop-2-enoate
CID 90224723
[4-[bis(2,5-dimethyl-4-prop-2-enoyloxyphenyl)methyl]phenyl] prop-2-enoate
CID 102112166
[4-(3-fluoro-4-prop-2-enoyloxyphenyl)phenyl] prop-2-enoate
CID 67892187
2-[[4-[4-[bis[2-prop-2-enoxy-5-(4-prop-2-enoxyphenyl)phenyl]methyl]phenyl]phenyl]-[2-prop-2-enoxy-5-(4-prop-2-enoxyphenyl)phenyl]methyl]-1-prop-2-enoxy-4-(4-prop-2-enoxyphenyl)benzene
CID 134550776
[4-[2-(4-benzhydrylphenyl)ethenyl]phenyl] prop-2-enoate
CID 58203279
[4-[4-(4-phenyl-N-(4-prop-2-enoyloxyphenyl)anilino)phenyl]phenyl] prop-2-enoate
CID 22089914
4-[2-[4-[4-[2-(4-hydroxyphenoxy)ethoxy]-3-[[2-[2-(4-hydroxyphenoxy)ethoxy]-5-[4-[2-(4-hydroxyphenoxy)ethoxy]phenyl]phenyl]-(4-phenylphenyl)methyl]phenyl]phenoxy]ethoxy]phenol
CID 142364310
(4-phenylperoxyphenyl) prop-2-enoate
CID 163991970
[4-(4-formyloxy-3-phosphanylphenyl)phenyl] prop-2-enoate
CID 137428623
[4-[4-(N-phenylanilino)phenyl]phenyl] prop-2-enoate
CID 58800639

Frequently Asked Questions

What is the IUPAC name of [4-[3-[(4-phenylphenyl)-[2-prop-2-enoyloxy-5-(4-prop-2-enoyloxyphenyl)phenyl]methyl]-4-prop-2-enoyloxyphenyl]cyclohexa-2,4-dien-1-yl] prop-2-enoate?
The IUPAC name of [4-[3-[(4-phenylphenyl)-[2-prop-2-enoyloxy-5-(4-prop-2-enoyloxyphenyl)phenyl]methyl]-4-prop-2-enoyloxyphenyl]cyclohexa-2,4-dien-1-yl] prop-2-enoate (CID 134550742) is [4-[3-[(4-phenylphenyl)-[2-prop-2-enoyloxy-5-(4-prop-2-enoyloxyphenyl)phenyl]methyl]-4-prop-2-enoyloxyphenyl]cyclohexa-2,4-dien-1-yl] prop-2-enoate.
What is the SMILES notation for [4-[3-[(4-phenylphenyl)-[2-prop-2-enoyloxy-5-(4-prop-2-enoyloxyphenyl)phenyl]methyl]-4-prop-2-enoyloxyphenyl]cyclohexa-2,4-dien-1-yl] prop-2-enoate?
The canonical SMILES for [4-[3-[(4-phenylphenyl)-[2-prop-2-enoyloxy-5-(4-prop-2-enoyloxyphenyl)phenyl]methyl]-4-prop-2-enoyloxyphenyl]cyclohexa-2,4-dien-1-yl] prop-2-enoate is C=CC(=O)Oc1ccc(-c2ccc(OC(=O)C=C)c(C(c3ccc(-c4ccccc4)cc3)c3cc(C4=CCC(OC(=O)C=C)C=C4)ccc3OC(=O)C=C)c2)cc1.
What is the InChIKey of [4-[3-[(4-phenylphenyl)-[2-prop-2-enoyloxy-5-(4-prop-2-enoyloxyphenyl)phenyl]methyl]-4-prop-2-enoyloxyphenyl]cyclohexa-2,4-dien-1-yl] prop-2-enoate?
The InChIKey is SANLMRMVGGALIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H38O8/c1-5-45(50)54-39-24-18-34(19-25-39)37-22-28-43(56-47(52)7-3)41(30-37)49(36-16-14-33(15-17-36)32-12-10-9-11-13-32)42-31-38(23-29-44(42)57-48(53)8-4)35-20-26-40(27-21-35)55-46(51)6-2/h5-26,28-31,40,49H,1-4,27H2.
What are the key properties of [4-[3-[(4-phenylphenyl)-[2-prop-2-enoyloxy-5-(4-prop-2-enoyloxyphenyl)phenyl]methyl]-4-prop-2-enoyloxyphenyl]cyclohexa-2,4-dien-1-yl] prop-2-enoate?
[4-[3-[(4-phenylphenyl)-[2-prop-2-enoyloxy-5-(4-prop-2-enoyloxyphenyl)phenyl]methyl]-4-prop-2-enoyloxyphenyl]cyclohexa-2,4-dien-1-yl] prop-2-enoate has a molecular weight of 754.83 g/mol, XLogP of 9.92, 14 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-[(4-phenylphenyl)-[2-prop-2-enoyloxy-5-(4-prop-2-enoyloxyphenyl)phenyl]methyl]-4-prop-2-enoyloxyphenyl]cyclohexa-2,4-dien-1-yl] prop-2-enoate is sourced from PubChem (CID 134550742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).