2-[4-[9-[3,5-diphenyl-4-(2-prop-2-enoyloxyethoxy)phenyl]fluoren-9-yl]-2,6-diphenylphenoxy]ethyl prop-2-enoate

C59H46O6 — CID 163736073

IUPAC2-[4-[9-[3,5-diphenyl-4-(2-prop-2-enoyloxyethoxy)phenyl]fluoren-9-yl]-2,6-diphenylphenoxy]ethyl prop-2-enoate
SMILESC=CC(=O)OCCOc1c(-c2ccccc2)cc(C2(c3cc(-c4ccccc4)c(OCCOC(=O)C=C)c(-c4ccccc4)c3)c3ccccc3-c3ccccc32)cc1-c1ccccc1
InChIInChI=1S/C59H46O6/c1-3-55(60)62-33-35-64-57-49(41-21-9-5-10-22-41)37-45(38-50(57)42-23-11-6-12-24-42)59(53-31-19-17-29-47(53)48-30-18-20-32-54(48)59)46-39-51(43-25-13-7-14-26-43)58(65-36-34-63-56(61)4-2)52(40-46)44-27-15-8-16-28-44/h3-32,37-40H,1-2,33-36H2
InChIKeyLDSCVXFXFJRMIK-UHFFFAOYSA-N
MW851.01 g/mol
LogP12.93
Rot. Bonds16

About 2-[4-[9-[3,5-diphenyl-4-(2-prop-2-enoyloxyethoxy)phenyl]fluoren-9-yl]-2,6-diphenylphenoxy]ethyl prop-2-enoate

2-[4-[9-[3,5-diphenyl-4-(2-prop-2-enoyloxyethoxy)phenyl]fluoren-9-yl]-2,6-diphenylphenoxy]ethyl prop-2-enoate (PubChem CID 163736073) has the molecular formula C59H46O6 and a molecular weight of 851.01 g/mol. Its IUPAC name is 2-[4-[9-[3,5-diphenyl-4-(2-prop-2-enoyloxyethoxy)phenyl]fluoren-9-yl]-2,6-diphenylphenoxy]ethyl prop-2-enoate.

Molecular Properties

Compound Name2-[4-[9-[3,5-diphenyl-4-(2-prop-2-enoyloxyethoxy)phenyl]fluoren-9-yl]-2,6-diphenylphenoxy]ethyl prop-2-enoate
PubChem CID163736073
Molecular FormulaC59H46O6
Molecular Weight851.01 g/mol
Exact Mass850.33
IUPAC Name2-[4-[9-[3,5-diphenyl-4-(2-prop-2-enoyloxyethoxy)phenyl]fluoren-9-yl]-2,6-diphenylphenoxy]ethyl prop-2-enoate
SMILESC=CC(=O)OCCOc1c(-c2ccccc2)cc(C2(c3cc(-c4ccccc4)c(OCCOC(=O)C=C)c(-c4ccccc4)c3)c3ccccc3-c3ccccc32)cc1-c1ccccc1
InChIInChI=1S/C59H46O6/c1-3-55(60)62-33-35-64-57-49(41-21-9-5-10-22-41)37-45(38-50(57)42-23-11-6-12-24-42)59(53-31-19-17-29-47(53)48-30-18-20-32-54(48)59)46-39-51(43-25-13-7-14-26-43)58(65-36-34-63-56(61)4-2)52(40-46)44-27-15-8-16-28-44/h3-32,37-40H,1-2,33-36H2
InChIKeyLDSCVXFXFJRMIK-UHFFFAOYSA-N
XLogP12.93
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500851.01
LogP ≤ 512.93
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'}

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Related Compounds

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
2-[2-[4-[9-[4-[2-(2-prop-2-enoyloxyethoxy)ethoxy]phenyl]fluoren-9-yl]phenoxy]ethoxy]ethyl prop-2-enoate
CID 59702760
2-[4-[9-[4-(2-prop-2-enoyloxyethyl)phenyl]fluoren-9-yl]phenyl]ethyl prop-2-enoate
CID 134346927
2-[2-(2-phenylphenoxy)ethoxy]ethyl prop-2-enoate
CID 23290048
2-[4-[7-[4-(2-prop-2-enoyloxyethoxy)phenyl]benzo[a]phenalen-7-yl]phenoxy]ethyl prop-2-enoate
CID 118230473
2-[4-[11-[4-(2-prop-2-enoyloxyethoxy)phenyl]indeno[1,2-b]quinolin-11-yl]phenoxy]ethyl prop-2-enoate
CID 165377878
2-[4-[9-[4-(2-hydroxyethoxy)-3,5-bis(4-naphthalen-1-ylphenyl)phenyl]fluoren-9-yl]-2,6-bis(4-naphthalen-1-ylphenyl)phenoxy]ethanol
CID 172515739
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
methane;2-(4-phenylphenoxy)ethyl prop-2-enoate
CID 159356060
2-[2-(2-hydroxyethoxy)phenoxy]ethyl prop-2-enoate
CID 147852586
2-[6'-(2-prop-2-enoyloxyethoxy)spiro[benzo[b]fluorene-11,9'-xanthene]-3'-yl]oxyethyl prop-2-enoate
CID 118230441
2-[4-[9-[4-(2-methoxyethoxy)-3-phenylphenyl]fluoren-9-yl]-2-phenylphenoxy]ethanol
CID 146666746

Frequently Asked Questions

What is the IUPAC name of 2-[4-[9-[3,5-diphenyl-4-(2-prop-2-enoyloxyethoxy)phenyl]fluoren-9-yl]-2,6-diphenylphenoxy]ethyl prop-2-enoate?
The IUPAC name of 2-[4-[9-[3,5-diphenyl-4-(2-prop-2-enoyloxyethoxy)phenyl]fluoren-9-yl]-2,6-diphenylphenoxy]ethyl prop-2-enoate (CID 163736073) is 2-[4-[9-[3,5-diphenyl-4-(2-prop-2-enoyloxyethoxy)phenyl]fluoren-9-yl]-2,6-diphenylphenoxy]ethyl prop-2-enoate.
What is the SMILES notation for 2-[4-[9-[3,5-diphenyl-4-(2-prop-2-enoyloxyethoxy)phenyl]fluoren-9-yl]-2,6-diphenylphenoxy]ethyl prop-2-enoate?
The canonical SMILES for 2-[4-[9-[3,5-diphenyl-4-(2-prop-2-enoyloxyethoxy)phenyl]fluoren-9-yl]-2,6-diphenylphenoxy]ethyl prop-2-enoate is C=CC(=O)OCCOc1c(-c2ccccc2)cc(C2(c3cc(-c4ccccc4)c(OCCOC(=O)C=C)c(-c4ccccc4)c3)c3ccccc3-c3ccccc32)cc1-c1ccccc1.
What is the InChIKey of 2-[4-[9-[3,5-diphenyl-4-(2-prop-2-enoyloxyethoxy)phenyl]fluoren-9-yl]-2,6-diphenylphenoxy]ethyl prop-2-enoate?
The InChIKey is LDSCVXFXFJRMIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H46O6/c1-3-55(60)62-33-35-64-57-49(41-21-9-5-10-22-41)37-45(38-50(57)42-23-11-6-12-24-42)59(53-31-19-17-29-47(53)48-30-18-20-32-54(48)59)46-39-51(43-25-13-7-14-26-43)58(65-36-34-63-56(61)4-2)52(40-46)44-27-15-8-16-28-44/h3-32,37-40H,1-2,33-36H2.
What are the key properties of 2-[4-[9-[3,5-diphenyl-4-(2-prop-2-enoyloxyethoxy)phenyl]fluoren-9-yl]-2,6-diphenylphenoxy]ethyl prop-2-enoate?
2-[4-[9-[3,5-diphenyl-4-(2-prop-2-enoyloxyethoxy)phenyl]fluoren-9-yl]-2,6-diphenylphenoxy]ethyl prop-2-enoate has a molecular weight of 851.01 g/mol, XLogP of 12.93, 16 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[9-[3,5-diphenyl-4-(2-prop-2-enoyloxyethoxy)phenyl]fluoren-9-yl]-2,6-diphenylphenoxy]ethyl prop-2-enoate is sourced from PubChem (CID 163736073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).