N-(2-diphenylphosphanylphenyl)-1-phenylmethanimine

C100H80N4P4 — CID 139103390

IUPACN-(2-diphenylphosphanylphenyl)-1-phenylmethanimine
SMILESC(=N/c1ccccc1P(c1ccccc1)c1ccccc1)\c1ccccc1.C(=N/c1ccccc1P(c1ccccc1)c1ccccc1)\c1ccccc1.C(=N/c1ccccc1P(c1ccccc1)c1ccccc1)\c1ccccc1.C(=N/c1ccccc1P(c1ccccc1)c1ccccc1)\c1ccccc1
InChIInChI=1S/4C25H20NP/c4*1-4-12-21(13-5-1)20-26-24-18-10-11-19-25(24)27(22-14-6-2-7-15-22)23-16-8-3-9-17-23/h4*1-20H/b4*26-20+
InChIKeyAZROZOSORLMMCS-HVLIUXDZSA-N
MW1461.66 g/mol
LogP20.78
Rot. Bonds20

About N-(2-diphenylphosphanylphenyl)-1-phenylmethanimine

N-(2-diphenylphosphanylphenyl)-1-phenylmethanimine (PubChem CID 139103390) has the molecular formula C100H80N4P4 and a molecular weight of 1461.66 g/mol. Its IUPAC name is N-(2-diphenylphosphanylphenyl)-1-phenylmethanimine.

Molecular Properties

Compound NameN-(2-diphenylphosphanylphenyl)-1-phenylmethanimine
PubChem CID139103390
Molecular FormulaC100H80N4P4
Molecular Weight1461.66 g/mol
Exact Mass1460.53
IUPAC NameN-(2-diphenylphosphanylphenyl)-1-phenylmethanimine
SMILESC(=N/c1ccccc1P(c1ccccc1)c1ccccc1)\c1ccccc1.C(=N/c1ccccc1P(c1ccccc1)c1ccccc1)\c1ccccc1.C(=N/c1ccccc1P(c1ccccc1)c1ccccc1)\c1ccccc1.C(=N/c1ccccc1P(c1ccccc1)c1ccccc1)\c1ccccc1
InChIInChI=1S/4C25H20NP/c4*1-4-12-21(13-5-1)20-26-24-18-10-11-19-25(24)27(22-14-6-2-7-15-22)23-16-8-3-9-17-23/h4*1-20H/b4*26-20+
InChIKeyAZROZOSORLMMCS-HVLIUXDZSA-N
XLogP20.78
TPSA49.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds20
Heavy Atoms108
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001461.66
LogP ≤ 520.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-diphenylphosphanylphenyl)-1-phenylmethanimine
CID 10995682
acetonitrile;carbanide;N-(2-diphenylphosphanylphenyl)-1-phenylmethanimine;palladium(2+);tetrafluoroborate
CID 10995681
N-(2-diphenylphosphanylphenyl)-1-thiophen-2-ylmethanimine
CID 102246105
5-bromo-2-[(2-diphenylphosphanylphenyl)iminomethyl]phenol
CID 136784137
1-[2-bis(2-methoxyphenyl)phosphanylphenyl]-N-(2-diphenylphosphanylphenyl)methanimine
CID 101383931
4-[[2-[(4-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol
CID 135633900
bis(cyclopenta-1,3-diene);bis(1-cyclopenta-1,3-dien-1-yl-N-(2-diphenylphosphanylphenyl)methanimine);bis(dichloromethane);bis(iron(2+));bis(platinum(2+));tetrachloride
CID 139075997
(2-diphenylphosphanylphenyl)-diphenylphosphane;titanium
CID 174974517
dichloropalladium;1-(2-diphenylphosphanylphenyl)-N-[2-(trifluoromethyl)phenyl]methanimine
CID 139240542
1-phenyl-N-[2-(trifluoromethyl)phenyl]methanimine
CID 15195578
N,1-diphenylmethanimine
CID 10858
(4-chlorophenyl)-(2-diphenylphosphanylphenyl)diazene
CID 101442398

Frequently Asked Questions

What is the IUPAC name of N-(2-diphenylphosphanylphenyl)-1-phenylmethanimine?
The IUPAC name of N-(2-diphenylphosphanylphenyl)-1-phenylmethanimine (CID 139103390) is N-(2-diphenylphosphanylphenyl)-1-phenylmethanimine.
What is the SMILES notation for N-(2-diphenylphosphanylphenyl)-1-phenylmethanimine?
The canonical SMILES for N-(2-diphenylphosphanylphenyl)-1-phenylmethanimine is C(=N/c1ccccc1P(c1ccccc1)c1ccccc1)\c1ccccc1.C(=N/c1ccccc1P(c1ccccc1)c1ccccc1)\c1ccccc1.C(=N/c1ccccc1P(c1ccccc1)c1ccccc1)\c1ccccc1.C(=N/c1ccccc1P(c1ccccc1)c1ccccc1)\c1ccccc1.
What is the InChIKey of N-(2-diphenylphosphanylphenyl)-1-phenylmethanimine?
The InChIKey is AZROZOSORLMMCS-HVLIUXDZSA-N. The full InChI is InChI=1S/4C25H20NP/c4*1-4-12-21(13-5-1)20-26-24-18-10-11-19-25(24)27(22-14-6-2-7-15-22)23-16-8-3-9-17-23/h4*1-20H/b4*26-20+.
What are the key properties of N-(2-diphenylphosphanylphenyl)-1-phenylmethanimine?
N-(2-diphenylphosphanylphenyl)-1-phenylmethanimine has a molecular weight of 1461.66 g/mol, XLogP of 20.78, 20 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-diphenylphosphanylphenyl)-1-phenylmethanimine is sourced from PubChem (CID 139103390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).