benzylimino-tris(4-methylphenyl)-λ5-phosphane

C28H28NP — CID 101456500

IUPACbenzylimino-tris(4-methylphenyl)-λ5-phosphane
SMILESCc1ccc(P(=NCc2ccccc2)(c2ccc(C)cc2)c2ccc(C)cc2)cc1
InChIInChI=1S/C28H28NP/c1-22-9-15-26(16-10-22)30(27-17-11-23(2)12-18-27,28-19-13-24(3)14-20-28)29-21-25-7-5-4-6-8-25/h4-20H,21H2,1-3H3
InChIKeyGQVXWLJQXMTQQN-UHFFFAOYSA-N
MW409.51 g/mol
LogP6.29
Rot. Bonds5

About benzylimino-tris(4-methylphenyl)-λ5-phosphane

benzylimino-tris(4-methylphenyl)-λ5-phosphane (PubChem CID 101456500) has the molecular formula C28H28NP and a molecular weight of 409.51 g/mol. Its IUPAC name is benzylimino-tris(4-methylphenyl)-λ5-phosphane.

Molecular Properties

Compound Namebenzylimino-tris(4-methylphenyl)-λ5-phosphane
PubChem CID101456500
Molecular FormulaC28H28NP
Molecular Weight409.51 g/mol
Exact Mass409.20
IUPAC Namebenzylimino-tris(4-methylphenyl)-λ5-phosphane
SMILESCc1ccc(P(=NCc2ccccc2)(c2ccc(C)cc2)c2ccc(C)cc2)cc1
InChIInChI=1S/C28H28NP/c1-22-9-15-26(16-10-22)30(27-17-11-23(2)12-18-27,28-19-13-24(3)14-20-28)29-21-25-7-5-4-6-8-25/h4-20H,21H2,1-3H3
InChIKeyGQVXWLJQXMTQQN-UHFFFAOYSA-N
XLogP6.29
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.51
LogP ≤ 56.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze benzylimino-tris(4-methylphenyl)-λ5-phosphane 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

1-benzyl-4-methylbenzene;toluene
CID 144690555
(4-methylphenyl)methyl-phenyldiazene
CID 13049562
benzene;bis(1,4-xylene)
CID 159472747
N'-[(4-methylphenyl)methyl]-2-phenylethanimidamide
CID 10586033
3-benzylimino-1-(4-methylphenyl)butan-1-one
CID 7307989
1-ethyl-4-methylcyclodeca-1,3,5,7,9-pentaene
CID 123858491
ethylbenzene;1-ethyl-4-methylbenzene;propane
CID 160625021
4-methyl-N-(triphenyl-λ5-phosphanylidene)benzamide
CID 13438783
1-(4-diphenylphosphorylphenyl)-4-methylbenzene
CID 11233983
benzyl-tris(4-methylphenyl)plumbane
CID 3320758
radon;toluene;1,4-xylene
CID 174747246
1-benzyl-2-methyl-3-[(4-methylphenyl)methyl]guanidine
CID 110953592

Frequently Asked Questions

What is the IUPAC name of benzylimino-tris(4-methylphenyl)-λ5-phosphane?
The IUPAC name of benzylimino-tris(4-methylphenyl)-λ5-phosphane (CID 101456500) is benzylimino-tris(4-methylphenyl)-λ5-phosphane.
What is the SMILES notation for benzylimino-tris(4-methylphenyl)-λ5-phosphane?
The canonical SMILES for benzylimino-tris(4-methylphenyl)-λ5-phosphane is Cc1ccc(P(=NCc2ccccc2)(c2ccc(C)cc2)c2ccc(C)cc2)cc1.
What is the InChIKey of benzylimino-tris(4-methylphenyl)-λ5-phosphane?
The InChIKey is GQVXWLJQXMTQQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28NP/c1-22-9-15-26(16-10-22)30(27-17-11-23(2)12-18-27,28-19-13-24(3)14-20-28)29-21-25-7-5-4-6-8-25/h4-20H,21H2,1-3H3.
What are the key properties of benzylimino-tris(4-methylphenyl)-λ5-phosphane?
benzylimino-tris(4-methylphenyl)-λ5-phosphane has a molecular weight of 409.51 g/mol, XLogP of 6.29, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzylimino-tris(4-methylphenyl)-λ5-phosphane is sourced from PubChem (CID 101456500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).