2-[3-phenoxy-4-[2-phenoxy-9,10-bis(2-prop-2-enoyloxyethyl)anthracen-1-yl]oxy-10-(2-prop-2-enoyloxyethyl)anthracen-9-yl]ethyl prop-2-enoate

C60H50O11 — CID 138558587

IUPAC2-[3-phenoxy-4-[2-phenoxy-9,10-bis(2-prop-2-enoyloxyethyl)anthracen-1-yl]oxy-10-(2-prop-2-enoyloxyethyl)anthracen-9-yl]ethyl prop-2-enoate
SMILESC=CC(=O)OCCc1c2ccccc2c(CCOC(=O)C=C)c2c(Oc3c(Oc4ccccc4)ccc4c(CCOC(=O)C=C)c5ccccc5c(CCOC(=O)C=C)c34)c(Oc3ccccc3)ccc12
InChIInChI=1S/C60H50O11/c1-5-53(61)65-35-31-45-41-23-15-17-25-43(41)49(33-37-67-55(63)7-3)57-47(45)27-29-51(69-39-19-11-9-12-20-39)59(57)71-60-52(70-40-21-13-10-14-22-40)30-28-48-46(32-36-66-54(62)6-2)42-24-16-18-26-44(42)50(58(48)60)34-38-68-56(64)8-4/h5-30H,1-4,31-38H2
InChIKeyYJAUQJBGUKEUAC-UHFFFAOYSA-N
MW947.05 g/mol
LogP12.76
Rot. Bonds22

About 2-[3-phenoxy-4-[2-phenoxy-9,10-bis(2-prop-2-enoyloxyethyl)anthracen-1-yl]oxy-10-(2-prop-2-enoyloxyethyl)anthracen-9-yl]ethyl prop-2-enoate

2-[3-phenoxy-4-[2-phenoxy-9,10-bis(2-prop-2-enoyloxyethyl)anthracen-1-yl]oxy-10-(2-prop-2-enoyloxyethyl)anthracen-9-yl]ethyl prop-2-enoate (PubChem CID 138558587) has the molecular formula C60H50O11 and a molecular weight of 947.05 g/mol. Its IUPAC name is 2-[3-phenoxy-4-[2-phenoxy-9,10-bis(2-prop-2-enoyloxyethyl)anthracen-1-yl]oxy-10-(2-prop-2-enoyloxyethyl)anthracen-9-yl]ethyl prop-2-enoate.

Molecular Properties

Compound Name2-[3-phenoxy-4-[2-phenoxy-9,10-bis(2-prop-2-enoyloxyethyl)anthracen-1-yl]oxy-10-(2-prop-2-enoyloxyethyl)anthracen-9-yl]ethyl prop-2-enoate
PubChem CID138558587
Molecular FormulaC60H50O11
Molecular Weight947.05 g/mol
Exact Mass946.34
IUPAC Name2-[3-phenoxy-4-[2-phenoxy-9,10-bis(2-prop-2-enoyloxyethyl)anthracen-1-yl]oxy-10-(2-prop-2-enoyloxyethyl)anthracen-9-yl]ethyl prop-2-enoate
SMILESC=CC(=O)OCCc1c2ccccc2c(CCOC(=O)C=C)c2c(Oc3c(Oc4ccccc4)ccc4c(CCOC(=O)C=C)c5ccccc5c(CCOC(=O)C=C)c34)c(Oc3ccccc3)ccc12
InChIInChI=1S/C60H50O11/c1-5-53(61)65-35-31-45-41-23-15-17-25-43(41)49(33-37-67-55(63)7-3)57-47(45)27-29-51(69-39-19-11-9-12-20-39)59(57)71-60-52(70-40-21-13-10-14-22-40)30-28-48-46(32-36-66-54(62)6-2)42-24-16-18-26-44(42)50(58(48)60)34-38-68-56(64)8-4/h5-30H,1-4,31-38H2
InChIKeyYJAUQJBGUKEUAC-UHFFFAOYSA-N
XLogP12.76
TPSA132.89 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds22
Heavy Atoms71
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500947.05
LogP ≤ 512.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 2-[3-phenoxy-4-[2-phenoxy-9,10-bis(2-prop-2-enoyloxyethyl)anthracen-1-yl]oxy-10-(2-prop-2-enoyloxyethyl)anthracen-9-yl]ethyl prop-2-enoate with MolForge

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Related Compounds

2-anthracen-9-ylethyl prop-2-enoate
CID 18335281
2-[4-[4-phenoxy-3-[3-phenoxy-5-[4-(2-prop-2-enoyloxyethyl)phenoxy]phenyl]phenoxy]phenyl]ethyl prop-2-enoate
CID 123959344
1-hydroxy-4-(2-prop-2-enoyloxyethyl)naphthalene-2,3-dicarboxylic acid;propyl prop-2-enoate
CID 67704213
phthalic acid;2-prop-2-enoyloxyethyl prop-2-enoate
CID 162086806
2-prop-2-enoyloxyethyl 3-phenylprop-2-enoate
CID 53424506
methyl prop-2-enoate;2-phenoxyethyl prop-2-enoate
CID 174741391
2-(2-hydroxyethyl)-3-(2-prop-2-enoyloxyethyl)terephthalic acid
CID 140978667
methane;2-(4-phenylphenoxy)ethyl prop-2-enoate
CID 159356060
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
2-[5-amino-2-[4-[4-[4-amino-2-(2-prop-2-enoyloxyethyl)phenoxy]phenyl]phenoxy]phenyl]ethyl prop-2-enoate
CID 126571556
phenoxybenzene;prop-2-enoic acid
CID 66735010
benzyl prop-2-enoate;2-phenylethyl prop-2-enoate
CID 159252010

Frequently Asked Questions

What is the IUPAC name of 2-[3-phenoxy-4-[2-phenoxy-9,10-bis(2-prop-2-enoyloxyethyl)anthracen-1-yl]oxy-10-(2-prop-2-enoyloxyethyl)anthracen-9-yl]ethyl prop-2-enoate?
The IUPAC name of 2-[3-phenoxy-4-[2-phenoxy-9,10-bis(2-prop-2-enoyloxyethyl)anthracen-1-yl]oxy-10-(2-prop-2-enoyloxyethyl)anthracen-9-yl]ethyl prop-2-enoate (CID 138558587) is 2-[3-phenoxy-4-[2-phenoxy-9,10-bis(2-prop-2-enoyloxyethyl)anthracen-1-yl]oxy-10-(2-prop-2-enoyloxyethyl)anthracen-9-yl]ethyl prop-2-enoate.
What is the SMILES notation for 2-[3-phenoxy-4-[2-phenoxy-9,10-bis(2-prop-2-enoyloxyethyl)anthracen-1-yl]oxy-10-(2-prop-2-enoyloxyethyl)anthracen-9-yl]ethyl prop-2-enoate?
The canonical SMILES for 2-[3-phenoxy-4-[2-phenoxy-9,10-bis(2-prop-2-enoyloxyethyl)anthracen-1-yl]oxy-10-(2-prop-2-enoyloxyethyl)anthracen-9-yl]ethyl prop-2-enoate is C=CC(=O)OCCc1c2ccccc2c(CCOC(=O)C=C)c2c(Oc3c(Oc4ccccc4)ccc4c(CCOC(=O)C=C)c5ccccc5c(CCOC(=O)C=C)c34)c(Oc3ccccc3)ccc12.
What is the InChIKey of 2-[3-phenoxy-4-[2-phenoxy-9,10-bis(2-prop-2-enoyloxyethyl)anthracen-1-yl]oxy-10-(2-prop-2-enoyloxyethyl)anthracen-9-yl]ethyl prop-2-enoate?
The InChIKey is YJAUQJBGUKEUAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H50O11/c1-5-53(61)65-35-31-45-41-23-15-17-25-43(41)49(33-37-67-55(63)7-3)57-47(45)27-29-51(69-39-19-11-9-12-20-39)59(57)71-60-52(70-40-21-13-10-14-22-40)30-28-48-46(32-36-66-54(62)6-2)42-24-16-18-26-44(42)50(58(48)60)34-38-68-56(64)8-4/h5-30H,1-4,31-38H2.
What are the key properties of 2-[3-phenoxy-4-[2-phenoxy-9,10-bis(2-prop-2-enoyloxyethyl)anthracen-1-yl]oxy-10-(2-prop-2-enoyloxyethyl)anthracen-9-yl]ethyl prop-2-enoate?
2-[3-phenoxy-4-[2-phenoxy-9,10-bis(2-prop-2-enoyloxyethyl)anthracen-1-yl]oxy-10-(2-prop-2-enoyloxyethyl)anthracen-9-yl]ethyl prop-2-enoate has a molecular weight of 947.05 g/mol, XLogP of 12.76, 22 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-phenoxy-4-[2-phenoxy-9,10-bis(2-prop-2-enoyloxyethyl)anthracen-1-yl]oxy-10-(2-prop-2-enoyloxyethyl)anthracen-9-yl]ethyl prop-2-enoate is sourced from PubChem (CID 138558587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).