1-(2-diphenylphosphanylphenyl)-N-(1-phenyldiazenylnaphthalen-2-yl)methanimine

C35H26N3P — CID 101183018

IUPAC1-(2-diphenylphosphanylphenyl)-N-(1-phenyldiazenylnaphthalen-2-yl)methanimine
SMILESC(=N/c1ccc2ccccc2c1/N=N/c1ccccc1)\c1ccccc1P(c1ccccc1)c1ccccc1
InChIInChI=1S/C35H26N3P/c1-4-16-29(17-5-1)37-38-35-32-22-12-10-14-27(32)24-25-33(35)36-26-28-15-11-13-23-34(28)39(30-18-6-2-7-19-30)31-20-8-3-9-21-31/h1-26H/b36-26+,38-37+
InChIKeyGUUNVICEMDTOFL-UYDQEYNYSA-N
MW519.59 g/mol
LogP8.76
Rot. Bonds7

About 1-(2-diphenylphosphanylphenyl)-N-(1-phenyldiazenylnaphthalen-2-yl)methanimine

1-(2-diphenylphosphanylphenyl)-N-(1-phenyldiazenylnaphthalen-2-yl)methanimine (PubChem CID 101183018) has the molecular formula C35H26N3P and a molecular weight of 519.59 g/mol. Its IUPAC name is 1-(2-diphenylphosphanylphenyl)-N-(1-phenyldiazenylnaphthalen-2-yl)methanimine.

Molecular Properties

Compound Name1-(2-diphenylphosphanylphenyl)-N-(1-phenyldiazenylnaphthalen-2-yl)methanimine
PubChem CID101183018
Molecular FormulaC35H26N3P
Molecular Weight519.59 g/mol
Exact Mass519.19
IUPAC Name1-(2-diphenylphosphanylphenyl)-N-(1-phenyldiazenylnaphthalen-2-yl)methanimine
SMILESC(=N/c1ccc2ccccc2c1/N=N/c1ccccc1)\c1ccccc1P(c1ccccc1)c1ccccc1
InChIInChI=1S/C35H26N3P/c1-4-16-29(17-5-1)37-38-35-32-22-12-10-14-27(32)24-25-33(35)36-26-28-15-11-13-23-34(28)39(30-18-6-2-7-19-30)31-20-8-3-9-21-31/h1-26H/b36-26+,38-37+
InChIKeyGUUNVICEMDTOFL-UYDQEYNYSA-N
XLogP8.76
TPSA37.08 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.59
LogP ≤ 58.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze 1-(2-diphenylphosphanylphenyl)-N-(1-phenyldiazenylnaphthalen-2-yl)methanimine 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

phenyl-(1-phenyldiazenylnaphthalen-2-yl)diazene
CID 22616925
3-[[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]iminomethyl]benzene-1,2-diol
CID 135878876
1-[2-bis(2-methoxyphenyl)phosphanylphenyl]-N-(2-diphenylphosphanylphenyl)methanimine
CID 101383931
dichloropalladium;1-(2-diphenylphosphanylphenyl)-N-[2-(trifluoromethyl)phenyl]methanimine
CID 139240542
2-[[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]iminomethyl]-4,6-dimethylphenol
CID 135735822
1-naphthalen-1-yl-N-phenylmethanimine
CID 615538
ethane;1-phenyldiazenylnaphthalen-2-ol
CID 136657953
N-[(2-diphenylphosphanylphenyl)methylideneamino]phthalazin-1-amine
CID 71820462
N-(2-diphenylphosphanylphenyl)-1-phenylmethanimine
CID 10995682
N-(2-diphenylphosphanylphenyl)-1-phenylmethanimine
CID 139103390
1-(2-diphenylphosphanylphenyl)-N-[(2R)-2-[(2-diphenylphosphanylphenyl)methylideneamino]-1,2-diphenylethyl]methanimine
CID 59365608
1-phenyldiazenylnaphthalene-2-carbaldehyde;1-phenyldiazenylnaphthalen-2-ol
CID 159712546

Frequently Asked Questions

What is the IUPAC name of 1-(2-diphenylphosphanylphenyl)-N-(1-phenyldiazenylnaphthalen-2-yl)methanimine?
The IUPAC name of 1-(2-diphenylphosphanylphenyl)-N-(1-phenyldiazenylnaphthalen-2-yl)methanimine (CID 101183018) is 1-(2-diphenylphosphanylphenyl)-N-(1-phenyldiazenylnaphthalen-2-yl)methanimine.
What is the SMILES notation for 1-(2-diphenylphosphanylphenyl)-N-(1-phenyldiazenylnaphthalen-2-yl)methanimine?
The canonical SMILES for 1-(2-diphenylphosphanylphenyl)-N-(1-phenyldiazenylnaphthalen-2-yl)methanimine is C(=N/c1ccc2ccccc2c1/N=N/c1ccccc1)\c1ccccc1P(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-(2-diphenylphosphanylphenyl)-N-(1-phenyldiazenylnaphthalen-2-yl)methanimine?
The InChIKey is GUUNVICEMDTOFL-UYDQEYNYSA-N. The full InChI is InChI=1S/C35H26N3P/c1-4-16-29(17-5-1)37-38-35-32-22-12-10-14-27(32)24-25-33(35)36-26-28-15-11-13-23-34(28)39(30-18-6-2-7-19-30)31-20-8-3-9-21-31/h1-26H/b36-26+,38-37+.
What are the key properties of 1-(2-diphenylphosphanylphenyl)-N-(1-phenyldiazenylnaphthalen-2-yl)methanimine?
1-(2-diphenylphosphanylphenyl)-N-(1-phenyldiazenylnaphthalen-2-yl)methanimine has a molecular weight of 519.59 g/mol, XLogP of 8.76, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-diphenylphosphanylphenyl)-N-(1-phenyldiazenylnaphthalen-2-yl)methanimine is sourced from PubChem (CID 101183018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).