N-[[(Z)-2-amino-2-(4-methylphenyl)ethenyl]-diphenyl-lambda5-phosphanylidene]benzamide

C28H25N2OP — CID 14322803

IUPACN-[[(Z)-2-amino-2-(4-methylphenyl)ethenyl]-diphenyl-lambda5-phosphanylidene]benzamide
SMILESCc1ccc(/C(N)=C/P(=NC(=O)c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C28H25N2OP/c1-22-17-19-23(20-18-22)27(29)21-32(25-13-7-3-8-14-25,26-15-9-4-10-16-26)30-28(31)24-11-5-2-6-12-24/h2-21H,29H2,1H3/b27-21-
InChIKeyZJKHULFUGMFKFK-MEFGMAGPSA-N
MW436.50 g/mol
LogP5.94
Rot. Bonds5

About N-[[(Z)-2-amino-2-(4-methylphenyl)ethenyl]-diphenyl-lambda5-phosphanylidene]benzamide

N-[[(Z)-2-amino-2-(4-methylphenyl)ethenyl]-diphenyl-lambda5-phosphanylidene]benzamide (PubChem CID 14322803) has the molecular formula C28H25N2OP and a molecular weight of 436.50 g/mol. Its IUPAC name is N-[[(Z)-2-amino-2-(4-methylphenyl)ethenyl]-diphenyl-lambda5-phosphanylidene]benzamide.

Molecular Properties

Compound NameN-[[(Z)-2-amino-2-(4-methylphenyl)ethenyl]-diphenyl-lambda5-phosphanylidene]benzamide
PubChem CID14322803
Molecular FormulaC28H25N2OP
Molecular Weight436.50 g/mol
Exact Mass436.17
IUPAC NameN-[[(Z)-2-amino-2-(4-methylphenyl)ethenyl]-diphenyl-lambda5-phosphanylidene]benzamide
SMILESCc1ccc(/C(N)=C/P(=NC(=O)c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C28H25N2OP/c1-22-17-19-23(20-18-22)27(29)21-32(25-13-7-3-8-14-25,26-15-9-4-10-16-26)30-28(31)24-11-5-2-6-12-24/h2-21H,29H2,1H3/b27-21-
InChIKeyZJKHULFUGMFKFK-MEFGMAGPSA-N
XLogP5.94
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.50
LogP ≤ 55.94
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

4-methyl-N-(triphenyl-λ5-phosphanylidene)benzamide
CID 13438783
(Z)-3-amino-3-(4-methylphenyl)-1-phenylprop-2-en-1-one
CID 5376861
(E)-3-amino-3-(4-methylphenyl)-1-phenylprop-2-en-1-one
CID 21160961
dimethyl (E)-2-[(Z)-2-amino-1-[benzoylimino(diphenyl)-λ5-phosphanyl]-2-(4-methylphenyl)ethenyl]but-2-enedioate
CID 10438157
benzoic acid;4-methylbenzoic acid
CID 71272637
diphenylmethanone;(4-methylphenyl)-phenylmethanone
CID 69336781
N-[(4-methylphenyl)methylidene]benzamide
CID 4606839
(Z)-3-(diphenylphosphorylamino)-3-(4-methylphenyl)prop-2-enamide
CID 134934649
N-benzoyl-4-methylbenzohydrazide
CID 174274321
ethyl (Z)-2,3-bis(4-methylphenyl)-3-phenylprop-2-enoate
CID 177397823
(Z)-4-amino-2-oxo-4-phenylbut-3-enamide
CID 164569875
ethane;[4-[4-[4-[4-(4-methylphenyl)phenyl]phenyl]phenyl]phenyl]-phenylmethanone
CID 159022602

Frequently Asked Questions

What is the IUPAC name of N-[[(Z)-2-amino-2-(4-methylphenyl)ethenyl]-diphenyl-lambda5-phosphanylidene]benzamide?
The IUPAC name of N-[[(Z)-2-amino-2-(4-methylphenyl)ethenyl]-diphenyl-lambda5-phosphanylidene]benzamide (CID 14322803) is N-[[(Z)-2-amino-2-(4-methylphenyl)ethenyl]-diphenyl-lambda5-phosphanylidene]benzamide.
What is the SMILES notation for N-[[(Z)-2-amino-2-(4-methylphenyl)ethenyl]-diphenyl-lambda5-phosphanylidene]benzamide?
The canonical SMILES for N-[[(Z)-2-amino-2-(4-methylphenyl)ethenyl]-diphenyl-lambda5-phosphanylidene]benzamide is Cc1ccc(/C(N)=C/P(=NC(=O)c2ccccc2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N-[[(Z)-2-amino-2-(4-methylphenyl)ethenyl]-diphenyl-lambda5-phosphanylidene]benzamide?
The InChIKey is ZJKHULFUGMFKFK-MEFGMAGPSA-N. The full InChI is InChI=1S/C28H25N2OP/c1-22-17-19-23(20-18-22)27(29)21-32(25-13-7-3-8-14-25,26-15-9-4-10-16-26)30-28(31)24-11-5-2-6-12-24/h2-21H,29H2,1H3/b27-21-.
What are the key properties of N-[[(Z)-2-amino-2-(4-methylphenyl)ethenyl]-diphenyl-lambda5-phosphanylidene]benzamide?
N-[[(Z)-2-amino-2-(4-methylphenyl)ethenyl]-diphenyl-lambda5-phosphanylidene]benzamide has a molecular weight of 436.50 g/mol, XLogP of 5.94, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(Z)-2-amino-2-(4-methylphenyl)ethenyl]-diphenyl-lambda5-phosphanylidene]benzamide is sourced from PubChem (CID 14322803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).