[2-[2-[(E)-1,2-bis(3-chlorophenyl)ethenyl]phenyl]phenyl]-diphenylphosphane

C38H27Cl2P — CID 175772334

IUPAC[2-[2-[(E)-1,2-bis(3-chlorophenyl)ethenyl]phenyl]phenyl]-diphenylphosphane
SMILESClc1cccc(/C=C(\c2cccc(Cl)c2)c2ccccc2-c2ccccc2P(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C38H27Cl2P/c39-30-15-11-13-28(25-30)26-37(29-14-12-16-31(40)27-29)35-22-8-7-21-34(35)36-23-9-10-24-38(36)41(32-17-3-1-4-18-32)33-19-5-2-6-20-33/h1-27H/b37-26+
InChIKeySWJZUZFJAVFILH-AVLPFNLUSA-N
MW585.51 g/mol
LogP10.01
Rot. Bonds7

About [2-[2-[(E)-1,2-bis(3-chlorophenyl)ethenyl]phenyl]phenyl]-diphenylphosphane

[2-[2-[(E)-1,2-bis(3-chlorophenyl)ethenyl]phenyl]phenyl]-diphenylphosphane (PubChem CID 175772334) has the molecular formula C38H27Cl2P and a molecular weight of 585.51 g/mol. Its IUPAC name is [2-[2-[(E)-1,2-bis(3-chlorophenyl)ethenyl]phenyl]phenyl]-diphenylphosphane.

Molecular Properties

Compound Name[2-[2-[(E)-1,2-bis(3-chlorophenyl)ethenyl]phenyl]phenyl]-diphenylphosphane
PubChem CID175772334
Molecular FormulaC38H27Cl2P
Molecular Weight585.51 g/mol
Exact Mass584.12
IUPAC Name[2-[2-[(E)-1,2-bis(3-chlorophenyl)ethenyl]phenyl]phenyl]-diphenylphosphane
SMILESClc1cccc(/C=C(\c2cccc(Cl)c2)c2ccccc2-c2ccccc2P(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C38H27Cl2P/c39-30-15-11-13-28(25-30)26-37(29-14-12-16-31(40)27-29)35-22-8-7-21-34(35)36-23-9-10-24-38(36)41(32-17-3-1-4-18-32)33-19-5-2-6-20-33/h1-27H/b37-26+
InChIKeySWJZUZFJAVFILH-AVLPFNLUSA-N
XLogP10.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500585.51
LogP ≤ 510.01
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-[2,6-bis[(E)-1,2-diphenylethenyl]phenyl]phenyl]-diphenylphosphane
CID 164669474
diphenyl-[2-[2-[(E)-1-phenylprop-1-enyl]phenyl]phenyl]phosphane
CID 164669457
[2-[(E)-1,2-diphenylethenyl]phenyl]-diphenylphosphane
CID 132966210
(E)-3-(3-chlorophenyl)-2-phenylprop-2-enal
CID 82117781
bis([2-(2-diphenylphosphanylphenyl)phenyl]-diphenylphosphane);hydrate
CID 87203660
6-chlorocinnoline;2-[2-(1,2-diphenylethenyl)phenyl]bicyclo[2.2.0]hexa-1,3,5-triene
CID 174937225
1-chloro-2-[(E)-1,2-diphenylethenyl]benzene
CID 175564265
[2-(3-chlorophenyl)phenyl]-phenylmethanone
CID 174644263
(2Z)-2-[(3-chlorophenyl)methylidene]-1-phenylbutane-1,3-dione
CID 5388570
4-[(E)-1-[2-(2-diphenylphosphanylphenyl)phenyl]-2-trimethylsilylethenyl]benzonitrile
CID 175772375
(E)-2,3-bis(3-chlorophenyl)prop-2-enenitrile
CID 696997
(2Z,3Z)-2,3-bis[(3-chlorophenyl)methylidene]butanedial
CID 11370939

Frequently Asked Questions

What is the IUPAC name of [2-[2-[(E)-1,2-bis(3-chlorophenyl)ethenyl]phenyl]phenyl]-diphenylphosphane?
The IUPAC name of [2-[2-[(E)-1,2-bis(3-chlorophenyl)ethenyl]phenyl]phenyl]-diphenylphosphane (CID 175772334) is [2-[2-[(E)-1,2-bis(3-chlorophenyl)ethenyl]phenyl]phenyl]-diphenylphosphane.
What is the SMILES notation for [2-[2-[(E)-1,2-bis(3-chlorophenyl)ethenyl]phenyl]phenyl]-diphenylphosphane?
The canonical SMILES for [2-[2-[(E)-1,2-bis(3-chlorophenyl)ethenyl]phenyl]phenyl]-diphenylphosphane is Clc1cccc(/C=C(\c2cccc(Cl)c2)c2ccccc2-c2ccccc2P(c2ccccc2)c2ccccc2)c1.
What is the InChIKey of [2-[2-[(E)-1,2-bis(3-chlorophenyl)ethenyl]phenyl]phenyl]-diphenylphosphane?
The InChIKey is SWJZUZFJAVFILH-AVLPFNLUSA-N. The full InChI is InChI=1S/C38H27Cl2P/c39-30-15-11-13-28(25-30)26-37(29-14-12-16-31(40)27-29)35-22-8-7-21-34(35)36-23-9-10-24-38(36)41(32-17-3-1-4-18-32)33-19-5-2-6-20-33/h1-27H/b37-26+.
What are the key properties of [2-[2-[(E)-1,2-bis(3-chlorophenyl)ethenyl]phenyl]phenyl]-diphenylphosphane?
[2-[2-[(E)-1,2-bis(3-chlorophenyl)ethenyl]phenyl]phenyl]-diphenylphosphane has a molecular weight of 585.51 g/mol, XLogP of 10.01, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-[(E)-1,2-bis(3-chlorophenyl)ethenyl]phenyl]phenyl]-diphenylphosphane is sourced from PubChem (CID 175772334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).