[(Z)-2-[(E)-2-diphenylphosphoryl-1-phenylethenoxy]-2-phenylethenyl]benzene

C34H27O2P — CID 134935737

IUPAC[(Z)-2-[(E)-2-diphenylphosphoryl-1-phenylethenoxy]-2-phenylethenyl]benzene
SMILESO=P(/C=C(/O/C(=C\c1ccccc1)c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C34H27O2P/c35-37(31-22-12-4-13-23-31,32-24-14-5-15-25-32)27-34(30-20-10-3-11-21-30)36-33(29-18-8-2-9-19-29)26-28-16-6-1-7-17-28/h1-27H/b33-26-,34-27+
InChIKeyUDRGKOARJJXHKL-ZTZWVNFCSA-N
MW498.56 g/mol
LogP8.21
Rot. Bonds8

About [(Z)-2-[(E)-2-diphenylphosphoryl-1-phenylethenoxy]-2-phenylethenyl]benzene

[(Z)-2-[(E)-2-diphenylphosphoryl-1-phenylethenoxy]-2-phenylethenyl]benzene (PubChem CID 134935737) has the molecular formula C34H27O2P and a molecular weight of 498.56 g/mol. Its IUPAC name is [(Z)-2-[(E)-2-diphenylphosphoryl-1-phenylethenoxy]-2-phenylethenyl]benzene.

Molecular Properties

Compound Name[(Z)-2-[(E)-2-diphenylphosphoryl-1-phenylethenoxy]-2-phenylethenyl]benzene
PubChem CID134935737
Molecular FormulaC34H27O2P
Molecular Weight498.56 g/mol
Exact Mass498.17
IUPAC Name[(Z)-2-[(E)-2-diphenylphosphoryl-1-phenylethenoxy]-2-phenylethenyl]benzene
SMILESO=P(/C=C(/O/C(=C\c1ccccc1)c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C34H27O2P/c35-37(31-22-12-4-13-23-31,32-24-14-5-15-25-32)27-34(30-20-10-3-11-21-30)36-33(29-18-8-2-9-19-29)26-28-16-6-1-7-17-28/h1-27H/b33-26-,34-27+
InChIKeyUDRGKOARJJXHKL-ZTZWVNFCSA-N
XLogP8.21
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.56
LogP ≤ 58.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

1,2-diphenylethenyl dihydrogen phosphate
CID 57178972
1,2-diphenylethenyl 3-phenylprop-2-enoate
CID 90922275
(Z)-3-phenyl-2-phosphonoprop-2-enoic acid
CID 67323019
1,2-diphenylethenyl hydrogen sulfite
CID 57013364
tribromo-[(Z)-1,2-diphenylethenoxy]germane
CID 132573464
[(Z)-1-ethoxy-2-phenylethenyl]benzene
CID 12610888
[(Z)-1,2-diphenylethenoxy]methylbenzene
CID 134952285
[(Z)-1-benzhydryloxy-2-phenylethenyl]benzene
CID 134952487
[(Z)-1-diphenylphosphoryloxyprop-1-enyl]benzene
CID 12869462
(Z)-2-[ethoxy(phenyl)phosphoryl]-1,3-diphenylprop-2-en-1-one
CID 5475891
(1-diphenylphosphoryl-3-ethylhexa-1,3-dien-2-yl)benzene
CID 135002903
1,2-diphenylethenesulfonamide
CID 54513105

Frequently Asked Questions

What is the IUPAC name of [(Z)-2-[(E)-2-diphenylphosphoryl-1-phenylethenoxy]-2-phenylethenyl]benzene?
The IUPAC name of [(Z)-2-[(E)-2-diphenylphosphoryl-1-phenylethenoxy]-2-phenylethenyl]benzene (CID 134935737) is [(Z)-2-[(E)-2-diphenylphosphoryl-1-phenylethenoxy]-2-phenylethenyl]benzene.
What is the SMILES notation for [(Z)-2-[(E)-2-diphenylphosphoryl-1-phenylethenoxy]-2-phenylethenyl]benzene?
The canonical SMILES for [(Z)-2-[(E)-2-diphenylphosphoryl-1-phenylethenoxy]-2-phenylethenyl]benzene is O=P(/C=C(/O/C(=C\c1ccccc1)c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of [(Z)-2-[(E)-2-diphenylphosphoryl-1-phenylethenoxy]-2-phenylethenyl]benzene?
The InChIKey is UDRGKOARJJXHKL-ZTZWVNFCSA-N. The full InChI is InChI=1S/C34H27O2P/c35-37(31-22-12-4-13-23-31,32-24-14-5-15-25-32)27-34(30-20-10-3-11-21-30)36-33(29-18-8-2-9-19-29)26-28-16-6-1-7-17-28/h1-27H/b33-26-,34-27+.
What are the key properties of [(Z)-2-[(E)-2-diphenylphosphoryl-1-phenylethenoxy]-2-phenylethenyl]benzene?
[(Z)-2-[(E)-2-diphenylphosphoryl-1-phenylethenoxy]-2-phenylethenyl]benzene has a molecular weight of 498.56 g/mol, XLogP of 8.21, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-2-[(E)-2-diphenylphosphoryl-1-phenylethenoxy]-2-phenylethenyl]benzene is sourced from PubChem (CID 134935737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).