[2-[2,6-bis[(E)-1,2-diphenylethenyl]phenyl]phenyl]-diphenylphosphane

C52H39P — CID 164669474

IUPAC[2-[2,6-bis[(E)-1,2-diphenylethenyl]phenyl]phenyl]-diphenylphosphane
SMILESC(=C(\c1ccccc1)c1cccc(/C(=C/c2ccccc2)c2ccccc2)c1-c1ccccc1P(c1ccccc1)c1ccccc1)\c1ccccc1
InChIInChI=1S/C52H39P/c1-7-22-40(23-8-1)38-49(42-26-11-3-12-27-42)46-35-21-36-47(50(43-28-13-4-14-29-43)39-41-24-9-2-10-25-41)52(46)48-34-19-20-37-51(48)53(44-30-15-5-16-31-44)45-32-17-6-18-33-45/h1-39H/b49-38+,50-39+
InChIKeyZURKFRUDZFCZRD-UTGGKXIMSA-N
MW694.86 g/mol
LogP12.29
Rot. Bonds10

About [2-[2,6-bis[(E)-1,2-diphenylethenyl]phenyl]phenyl]-diphenylphosphane

[2-[2,6-bis[(E)-1,2-diphenylethenyl]phenyl]phenyl]-diphenylphosphane (PubChem CID 164669474) has the molecular formula C52H39P and a molecular weight of 694.86 g/mol. Its IUPAC name is [2-[2,6-bis[(E)-1,2-diphenylethenyl]phenyl]phenyl]-diphenylphosphane.

Molecular Properties

Compound Name[2-[2,6-bis[(E)-1,2-diphenylethenyl]phenyl]phenyl]-diphenylphosphane
PubChem CID164669474
Molecular FormulaC52H39P
Molecular Weight694.86 g/mol
Exact Mass694.28
IUPAC Name[2-[2,6-bis[(E)-1,2-diphenylethenyl]phenyl]phenyl]-diphenylphosphane
SMILESC(=C(\c1ccccc1)c1cccc(/C(=C/c2ccccc2)c2ccccc2)c1-c1ccccc1P(c1ccccc1)c1ccccc1)\c1ccccc1
InChIInChI=1S/C52H39P/c1-7-22-40(23-8-1)38-49(42-26-11-3-12-27-42)46-35-21-36-47(50(43-28-13-4-14-29-43)39-41-24-9-2-10-25-41)52(46)48-34-19-20-37-51(48)53(44-30-15-5-16-31-44)45-32-17-6-18-33-45/h1-39H/b49-38+,50-39+
InChIKeyZURKFRUDZFCZRD-UTGGKXIMSA-N
XLogP12.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500694.86
LogP ≤ 512.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

[2-[(E)-1,2-diphenylethenyl]phenyl]-diphenylphosphane
CID 132966210
[2-[2-[(E)-1,2-bis(3-chlorophenyl)ethenyl]phenyl]phenyl]-diphenylphosphane
CID 175772334
diphenyl-[2-[2-[(E)-1-phenylprop-1-enyl]phenyl]phenyl]phosphane
CID 164669457
1-chloro-2-[(E)-1,2-diphenylethenyl]benzene
CID 175564265
1-[(Z)-1,2-diphenylethenyl]naphthalene
CID 11347319
1-[2-[(E)-1,2-diphenylethenyl]phenyl]ethanone
CID 11380988
bis([2-(2-diphenylphosphanylphenyl)phenyl]-diphenylphosphane);hydrate
CID 87203660
CID 173126547
CID 173126547
[2-(2,3,4,5,6-pentafluorophenyl)phenyl]-diphenylphosphane
CID 158378188
diphenyl-[2-(2,3,4-triphenylnaphthalen-1-yl)phenyl]phosphane
CID 166447914
2-(1,2-diphenylethenyl)benzaldehyde
CID 87999369
2-[2-[(E)-1,2-diphenylethenyl]-6-methylphenyl]pyridine
CID 101134171

Frequently Asked Questions

What is the IUPAC name of [2-[2,6-bis[(E)-1,2-diphenylethenyl]phenyl]phenyl]-diphenylphosphane?
The IUPAC name of [2-[2,6-bis[(E)-1,2-diphenylethenyl]phenyl]phenyl]-diphenylphosphane (CID 164669474) is [2-[2,6-bis[(E)-1,2-diphenylethenyl]phenyl]phenyl]-diphenylphosphane.
What is the SMILES notation for [2-[2,6-bis[(E)-1,2-diphenylethenyl]phenyl]phenyl]-diphenylphosphane?
The canonical SMILES for [2-[2,6-bis[(E)-1,2-diphenylethenyl]phenyl]phenyl]-diphenylphosphane is C(=C(\c1ccccc1)c1cccc(/C(=C/c2ccccc2)c2ccccc2)c1-c1ccccc1P(c1ccccc1)c1ccccc1)\c1ccccc1.
What is the InChIKey of [2-[2,6-bis[(E)-1,2-diphenylethenyl]phenyl]phenyl]-diphenylphosphane?
The InChIKey is ZURKFRUDZFCZRD-UTGGKXIMSA-N. The full InChI is InChI=1S/C52H39P/c1-7-22-40(23-8-1)38-49(42-26-11-3-12-27-42)46-35-21-36-47(50(43-28-13-4-14-29-43)39-41-24-9-2-10-25-41)52(46)48-34-19-20-37-51(48)53(44-30-15-5-16-31-44)45-32-17-6-18-33-45/h1-39H/b49-38+,50-39+.
What are the key properties of [2-[2,6-bis[(E)-1,2-diphenylethenyl]phenyl]phenyl]-diphenylphosphane?
[2-[2,6-bis[(E)-1,2-diphenylethenyl]phenyl]phenyl]-diphenylphosphane has a molecular weight of 694.86 g/mol, XLogP of 12.29, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2,6-bis[(E)-1,2-diphenylethenyl]phenyl]phenyl]-diphenylphosphane is sourced from PubChem (CID 164669474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).