N-[[(Z)-2-chloro-2-phenylethenyl]-[(E)-2-chloro-2-phenylethenyl]phosphoryl]-4-phenylmethoxyaniline

C29H24Cl2NO2P — CID 39923516

IUPACN-[[(Z)-2-chloro-2-phenylethenyl]-[(E)-2-chloro-2-phenylethenyl]phosphoryl]-4-phenylmethoxyaniline
SMILESO=P(/C=C(\Cl)c1ccccc1)(/C=C(/Cl)c1ccccc1)Nc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C29H24Cl2NO2P/c30-28(24-12-6-2-7-13-24)21-35(33,22-29(31)25-14-8-3-9-15-25)32-26-16-18-27(19-17-26)34-20-23-10-4-1-5-11-23/h1-19,21-22H,20H2,(H,32,33)/b28-21-,29-22+
InChIKeyVQZBKSXAVPFCBH-FJYRUYPUSA-N
MW520.40 g/mol
LogP9.43
Rot. Bonds9

About N-[[(Z)-2-chloro-2-phenylethenyl]-[(E)-2-chloro-2-phenylethenyl]phosphoryl]-4-phenylmethoxyaniline

N-[[(Z)-2-chloro-2-phenylethenyl]-[(E)-2-chloro-2-phenylethenyl]phosphoryl]-4-phenylmethoxyaniline (PubChem CID 39923516) has the molecular formula C29H24Cl2NO2P and a molecular weight of 520.40 g/mol. Its IUPAC name is N-[[(Z)-2-chloro-2-phenylethenyl]-[(E)-2-chloro-2-phenylethenyl]phosphoryl]-4-phenylmethoxyaniline.

Molecular Properties

Compound NameN-[[(Z)-2-chloro-2-phenylethenyl]-[(E)-2-chloro-2-phenylethenyl]phosphoryl]-4-phenylmethoxyaniline
PubChem CID39923516
Molecular FormulaC29H24Cl2NO2P
Molecular Weight520.40 g/mol
Exact Mass519.09
IUPAC NameN-[[(Z)-2-chloro-2-phenylethenyl]-[(E)-2-chloro-2-phenylethenyl]phosphoryl]-4-phenylmethoxyaniline
SMILESO=P(/C=C(\Cl)c1ccccc1)(/C=C(/Cl)c1ccccc1)Nc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C29H24Cl2NO2P/c30-28(24-12-6-2-7-13-24)21-35(33,22-29(31)25-14-8-3-9-15-25)32-26-16-18-27(19-17-26)34-20-23-10-4-1-5-11-23/h1-19,21-22H,20H2,(H,32,33)/b28-21-,29-22+
InChIKeyVQZBKSXAVPFCBH-FJYRUYPUSA-N
XLogP9.43
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.40
LogP ≤ 59.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,2,2-trichloro-N-(4-phenylmethoxyphenyl)acetamide
CID 884766
N-[4-(phenoxymethyl)phenyl]benzamide
CID 141092226
1-diphenylphosphoryl-4-phenylmethoxybenzene
CID 86086109
3-(4-phenylmethoxyphenyl)prop-2-enoyl chloride
CID 86156285
(E)-2,3-diphenyl-N-(4-phenylmethoxyphenyl)prop-2-enamide
CID 6534022
N-methyl-4-phenylmethoxybenzamide
CID 2996745
4-phenylmethoxybenzoic acid
CID 68896574
[3-[(4-phenylmethoxyphenyl)carbamoyl]phenyl] acetate
CID 2995401
2-[(4-phenylmethoxyanilino)methylidene]propanedioic acid
CID 134603737
N'-benzoyl-4-[(4-chlorophenoxy)methyl]benzohydrazide
CID 4880251
3-iodo-N-(4-phenylmethoxyphenyl)benzamide
CID 3409101
2-[4-(4-phenylmethoxyanilino)phenyl]acetaldehyde
CID 118960659

Frequently Asked Questions

What is the IUPAC name of N-[[(Z)-2-chloro-2-phenylethenyl]-[(E)-2-chloro-2-phenylethenyl]phosphoryl]-4-phenylmethoxyaniline?
The IUPAC name of N-[[(Z)-2-chloro-2-phenylethenyl]-[(E)-2-chloro-2-phenylethenyl]phosphoryl]-4-phenylmethoxyaniline (CID 39923516) is N-[[(Z)-2-chloro-2-phenylethenyl]-[(E)-2-chloro-2-phenylethenyl]phosphoryl]-4-phenylmethoxyaniline.
What is the SMILES notation for N-[[(Z)-2-chloro-2-phenylethenyl]-[(E)-2-chloro-2-phenylethenyl]phosphoryl]-4-phenylmethoxyaniline?
The canonical SMILES for N-[[(Z)-2-chloro-2-phenylethenyl]-[(E)-2-chloro-2-phenylethenyl]phosphoryl]-4-phenylmethoxyaniline is O=P(/C=C(\Cl)c1ccccc1)(/C=C(/Cl)c1ccccc1)Nc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of N-[[(Z)-2-chloro-2-phenylethenyl]-[(E)-2-chloro-2-phenylethenyl]phosphoryl]-4-phenylmethoxyaniline?
The InChIKey is VQZBKSXAVPFCBH-FJYRUYPUSA-N. The full InChI is InChI=1S/C29H24Cl2NO2P/c30-28(24-12-6-2-7-13-24)21-35(33,22-29(31)25-14-8-3-9-15-25)32-26-16-18-27(19-17-26)34-20-23-10-4-1-5-11-23/h1-19,21-22H,20H2,(H,32,33)/b28-21-,29-22+.
What are the key properties of N-[[(Z)-2-chloro-2-phenylethenyl]-[(E)-2-chloro-2-phenylethenyl]phosphoryl]-4-phenylmethoxyaniline?
N-[[(Z)-2-chloro-2-phenylethenyl]-[(E)-2-chloro-2-phenylethenyl]phosphoryl]-4-phenylmethoxyaniline has a molecular weight of 520.40 g/mol, XLogP of 9.43, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(Z)-2-chloro-2-phenylethenyl]-[(E)-2-chloro-2-phenylethenyl]phosphoryl]-4-phenylmethoxyaniline is sourced from PubChem (CID 39923516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).