3-(2,3-diphenyl-2,3-dihydro-1-benzofuran-6-yl)-5-[(E)-2-(2,3-diphenyl-2,3-dihydro-1-benzofuran-4-yl)ethenyl]-2-phenyl-2,3-dihydro-1-benzofuran

C56H42O3 — CID 166866751

IUPAC3-(2,3-diphenyl-2,3-dihydro-1-benzofuran-6-yl)-5-[(E)-2-(2,3-diphenyl-2,3-dihydro-1-benzofuran-4-yl)ethenyl]-2-phenyl-2,3-dihydro-1-benzofuran
SMILESC(=C/c1cccc2c1C(c1ccccc1)C(c1ccccc1)O2)\c1ccc2c(c1)C(c1ccc3c(c1)OC(c1ccccc1)C3c1ccccc1)C(c1ccccc1)O2
InChIInChI=1S/C56H42O3/c1-6-17-38(18-7-1)50-45-33-32-44(36-49(45)59-54(50)41-21-10-3-11-22-41)51-46-35-37(30-34-47(46)57-55(51)42-23-12-4-13-24-42)29-31-40-27-16-28-48-52(40)53(39-19-8-2-9-20-39)56(58-48)43-25-14-5-15-26-43/h1-36,50-51,53-56H/b31-29+
InChIKeyMQIBVPVUCMEDKZ-OWWNRXNESA-N
MW762.95 g/mol
LogP13.65
Rot. Bonds8

About 3-(2,3-diphenyl-2,3-dihydro-1-benzofuran-6-yl)-5-[(E)-2-(2,3-diphenyl-2,3-dihydro-1-benzofuran-4-yl)ethenyl]-2-phenyl-2,3-dihydro-1-benzofuran

3-(2,3-diphenyl-2,3-dihydro-1-benzofuran-6-yl)-5-[(E)-2-(2,3-diphenyl-2,3-dihydro-1-benzofuran-4-yl)ethenyl]-2-phenyl-2,3-dihydro-1-benzofuran (PubChem CID 166866751) has the molecular formula C56H42O3 and a molecular weight of 762.95 g/mol. Its IUPAC name is 3-(2,3-diphenyl-2,3-dihydro-1-benzofuran-6-yl)-5-[(E)-2-(2,3-diphenyl-2,3-dihydro-1-benzofuran-4-yl)ethenyl]-2-phenyl-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name3-(2,3-diphenyl-2,3-dihydro-1-benzofuran-6-yl)-5-[(E)-2-(2,3-diphenyl-2,3-dihydro-1-benzofuran-4-yl)ethenyl]-2-phenyl-2,3-dihydro-1-benzofuran
PubChem CID166866751
Molecular FormulaC56H42O3
Molecular Weight762.95 g/mol
Exact Mass762.31
IUPAC Name3-(2,3-diphenyl-2,3-dihydro-1-benzofuran-6-yl)-5-[(E)-2-(2,3-diphenyl-2,3-dihydro-1-benzofuran-4-yl)ethenyl]-2-phenyl-2,3-dihydro-1-benzofuran
SMILESC(=C/c1cccc2c1C(c1ccccc1)C(c1ccccc1)O2)\c1ccc2c(c1)C(c1ccc3c(c1)OC(c1ccccc1)C3c1ccccc1)C(c1ccccc1)O2
InChIInChI=1S/C56H42O3/c1-6-17-38(18-7-1)50-45-33-32-44(36-49(45)59-54(50)41-21-10-3-11-22-41)51-46-35-37(30-34-47(46)57-55(51)42-23-12-4-13-24-42)29-31-40-27-16-28-48-52(40)53(39-19-8-2-9-20-39)56(58-48)43-25-14-5-15-26-43/h1-36,50-51,53-56H/b31-29+
InChIKeyMQIBVPVUCMEDKZ-OWWNRXNESA-N
XLogP13.65
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500762.95
LogP ≤ 513.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(2,3-diphenyl-2,3-dihydro-1-benzofuran-6-yl)-5-[(E)-2-(2,3-diphenyl-2,3-dihydro-1-benzofuran-4-yl)ethenyl]-2-phenyl-2,3-dihydro-1-benzofuran with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-diphenyl-2,3-dihydro-1-benzofuran-6-yl)-5-[(E)-2-(2,3-diphenyl-2,3-dihydro-1-benzofuran-4-yl)ethenyl]-2-phenyl-2,3-dihydro-1-benzofuran?
The IUPAC name of 3-(2,3-diphenyl-2,3-dihydro-1-benzofuran-6-yl)-5-[(E)-2-(2,3-diphenyl-2,3-dihydro-1-benzofuran-4-yl)ethenyl]-2-phenyl-2,3-dihydro-1-benzofuran (CID 166866751) is 3-(2,3-diphenyl-2,3-dihydro-1-benzofuran-6-yl)-5-[(E)-2-(2,3-diphenyl-2,3-dihydro-1-benzofuran-4-yl)ethenyl]-2-phenyl-2,3-dihydro-1-benzofuran.
What is the SMILES notation for 3-(2,3-diphenyl-2,3-dihydro-1-benzofuran-6-yl)-5-[(E)-2-(2,3-diphenyl-2,3-dihydro-1-benzofuran-4-yl)ethenyl]-2-phenyl-2,3-dihydro-1-benzofuran?
The canonical SMILES for 3-(2,3-diphenyl-2,3-dihydro-1-benzofuran-6-yl)-5-[(E)-2-(2,3-diphenyl-2,3-dihydro-1-benzofuran-4-yl)ethenyl]-2-phenyl-2,3-dihydro-1-benzofuran is C(=C/c1cccc2c1C(c1ccccc1)C(c1ccccc1)O2)\c1ccc2c(c1)C(c1ccc3c(c1)OC(c1ccccc1)C3c1ccccc1)C(c1ccccc1)O2.
What is the InChIKey of 3-(2,3-diphenyl-2,3-dihydro-1-benzofuran-6-yl)-5-[(E)-2-(2,3-diphenyl-2,3-dihydro-1-benzofuran-4-yl)ethenyl]-2-phenyl-2,3-dihydro-1-benzofuran?
The InChIKey is MQIBVPVUCMEDKZ-OWWNRXNESA-N. The full InChI is InChI=1S/C56H42O3/c1-6-17-38(18-7-1)50-45-33-32-44(36-49(45)59-54(50)41-21-10-3-11-22-41)51-46-35-37(30-34-47(46)57-55(51)42-23-12-4-13-24-42)29-31-40-27-16-28-48-52(40)53(39-19-8-2-9-20-39)56(58-48)43-25-14-5-15-26-43/h1-36,50-51,53-56H/b31-29+.
What are the key properties of 3-(2,3-diphenyl-2,3-dihydro-1-benzofuran-6-yl)-5-[(E)-2-(2,3-diphenyl-2,3-dihydro-1-benzofuran-4-yl)ethenyl]-2-phenyl-2,3-dihydro-1-benzofuran?
3-(2,3-diphenyl-2,3-dihydro-1-benzofuran-6-yl)-5-[(E)-2-(2,3-diphenyl-2,3-dihydro-1-benzofuran-4-yl)ethenyl]-2-phenyl-2,3-dihydro-1-benzofuran has a molecular weight of 762.95 g/mol, XLogP of 13.65, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-diphenyl-2,3-dihydro-1-benzofuran-6-yl)-5-[(E)-2-(2,3-diphenyl-2,3-dihydro-1-benzofuran-4-yl)ethenyl]-2-phenyl-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 166866751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).