(Z)-N-(4-chlorophenyl)-2-[[methyl(diphenyl)-λ5-phosphanylidene]amino]-3-phenylprop-2-en-1-imine

C28H24ClN2P — CID 57327363

IUPAC(Z)-N-(4-chlorophenyl)-2-[[methyl(diphenyl)-λ5-phosphanylidene]amino]-3-phenylprop-2-en-1-imine
SMILESCP(=NC(=C\c1ccccc1)/C=N/c1ccc(Cl)cc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H24ClN2P/c1-32(27-13-7-3-8-14-27,28-15-9-4-10-16-28)31-26(21-23-11-5-2-6-12-23)22-30-25-19-17-24(29)18-20-25/h2-22H,1H3/b26-21-,30-22+
InChIKeyKDDULZFFTCRROH-UBKHUMSISA-N
MW454.94 g/mol
LogP7.57
Rot. Bonds6

About (Z)-N-(4-chlorophenyl)-2-[[methyl(diphenyl)-λ5-phosphanylidene]amino]-3-phenylprop-2-en-1-imine

(Z)-N-(4-chlorophenyl)-2-[[methyl(diphenyl)-λ5-phosphanylidene]amino]-3-phenylprop-2-en-1-imine (PubChem CID 57327363) has the molecular formula C28H24ClN2P and a molecular weight of 454.94 g/mol. Its IUPAC name is (Z)-N-(4-chlorophenyl)-2-[[methyl(diphenyl)-λ5-phosphanylidene]amino]-3-phenylprop-2-en-1-imine.

Molecular Properties

Compound Name(Z)-N-(4-chlorophenyl)-2-[[methyl(diphenyl)-λ5-phosphanylidene]amino]-3-phenylprop-2-en-1-imine
PubChem CID57327363
Molecular FormulaC28H24ClN2P
Molecular Weight454.94 g/mol
Exact Mass454.14
IUPAC Name(Z)-N-(4-chlorophenyl)-2-[[methyl(diphenyl)-λ5-phosphanylidene]amino]-3-phenylprop-2-en-1-imine
SMILESCP(=NC(=C\c1ccccc1)/C=N/c1ccc(Cl)cc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H24ClN2P/c1-32(27-13-7-3-8-14-27,28-15-9-4-10-16-28)31-26(21-23-11-5-2-6-12-23)22-30-25-19-17-24(29)18-20-25/h2-22H,1H3/b26-21-,30-22+
InChIKeyKDDULZFFTCRROH-UBKHUMSISA-N
XLogP7.57
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.94
LogP ≤ 57.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze (Z)-N-(4-chlorophenyl)-2-[[methyl(diphenyl)-λ5-phosphanylidene]amino]-3-phenylprop-2-en-1-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-2-bromo-3-phenyl-N-(4-phenylphenyl)prop-2-en-1-imine
CID 21177366
(Z)-3-[(4-chlorophenyl)iminomethyl]-4-hydroxypent-3-en-2-one
CID 135482711
1-chloro-4-(1,2-diphenylethenyl)benzene
CID 58695106
1-chloro-4-[(E)-1-phenylbut-1-en-2-yl]benzene
CID 138980853
(2E,4E)-3-tert-butyl-N-(4-chlorophenyl)-5-phenylpenta-2,4-dien-1-imine
CID 11723731
4-chloro-N-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]benzenesulfonamide
CID 51061578
2-(4-chlorophenoxy)-N-[(Z)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide
CID 6245542
(Z)-2-(4-chlorophenyl)-3-phenylprop-2-enoate
CID 7063195
4-N-(4-chlorophenyl)-2-N-phenylpentane-2,4-diimine
CID 126613651
1-chloro-4-[(Z)-2-diphenylphosphoryl-3-methoxyprop-1-enyl]benzene
CID 102168111
N-(4-chlorophenyl)-1-diphenylphosphorylpropan-2-imine
CID 11089901
N,1-diphenylmethanimine
CID 10858

Frequently Asked Questions

What is the IUPAC name of (Z)-N-(4-chlorophenyl)-2-[[methyl(diphenyl)-λ5-phosphanylidene]amino]-3-phenylprop-2-en-1-imine?
The IUPAC name of (Z)-N-(4-chlorophenyl)-2-[[methyl(diphenyl)-λ5-phosphanylidene]amino]-3-phenylprop-2-en-1-imine (CID 57327363) is (Z)-N-(4-chlorophenyl)-2-[[methyl(diphenyl)-λ5-phosphanylidene]amino]-3-phenylprop-2-en-1-imine.
What is the SMILES notation for (Z)-N-(4-chlorophenyl)-2-[[methyl(diphenyl)-λ5-phosphanylidene]amino]-3-phenylprop-2-en-1-imine?
The canonical SMILES for (Z)-N-(4-chlorophenyl)-2-[[methyl(diphenyl)-λ5-phosphanylidene]amino]-3-phenylprop-2-en-1-imine is CP(=NC(=C\c1ccccc1)/C=N/c1ccc(Cl)cc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (Z)-N-(4-chlorophenyl)-2-[[methyl(diphenyl)-λ5-phosphanylidene]amino]-3-phenylprop-2-en-1-imine?
The InChIKey is KDDULZFFTCRROH-UBKHUMSISA-N. The full InChI is InChI=1S/C28H24ClN2P/c1-32(27-13-7-3-8-14-27,28-15-9-4-10-16-28)31-26(21-23-11-5-2-6-12-23)22-30-25-19-17-24(29)18-20-25/h2-22H,1H3/b26-21-,30-22+.
What are the key properties of (Z)-N-(4-chlorophenyl)-2-[[methyl(diphenyl)-λ5-phosphanylidene]amino]-3-phenylprop-2-en-1-imine?
(Z)-N-(4-chlorophenyl)-2-[[methyl(diphenyl)-λ5-phosphanylidene]amino]-3-phenylprop-2-en-1-imine has a molecular weight of 454.94 g/mol, XLogP of 7.57, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(4-chlorophenyl)-2-[[methyl(diphenyl)-λ5-phosphanylidene]amino]-3-phenylprop-2-en-1-imine is sourced from PubChem (CID 57327363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).