1-[5-methyl-2-[(triphenyl-λ5-phosphanylidene)amino]phenyl]-N-[[5-methyl-2-[(triphenyl-λ5-phosphanylidene)amino]phenyl]methyl]methanamine

C52H47N3P2 — CID 10417758

IUPAC1-[5-methyl-2-[(triphenyl-λ5-phosphanylidene)amino]phenyl]-N-[[5-methyl-2-[(triphenyl-λ5-phosphanylidene)amino]phenyl]methyl]methanamine
SMILESCc1ccc(N=P(c2ccccc2)(c2ccccc2)c2ccccc2)c(CNCc2cc(C)ccc2N=P(c2ccccc2)(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C52H47N3P2/c1-41-33-35-51(54-56(45-21-9-3-10-22-45,46-23-11-4-12-24-46)47-25-13-5-14-26-47)43(37-41)39-53-40-44-38-42(2)34-36-52(44)55-57(48-27-15-6-16-28-48,49-29-17-7-18-30-49)50-31-19-8-20-32-50/h3-38,53H,39-40H2,1-2H3
InChIKeyIDJMDNXMZMGXHP-UHFFFAOYSA-N
MW775.92 g/mol
LogP11.21
Rot. Bonds12

About 1-[5-methyl-2-[(triphenyl-λ5-phosphanylidene)amino]phenyl]-N-[[5-methyl-2-[(triphenyl-λ5-phosphanylidene)amino]phenyl]methyl]methanamine

1-[5-methyl-2-[(triphenyl-λ5-phosphanylidene)amino]phenyl]-N-[[5-methyl-2-[(triphenyl-λ5-phosphanylidene)amino]phenyl]methyl]methanamine (PubChem CID 10417758) has the molecular formula C52H47N3P2 and a molecular weight of 775.92 g/mol. Its IUPAC name is 1-[5-methyl-2-[(triphenyl-λ5-phosphanylidene)amino]phenyl]-N-[[5-methyl-2-[(triphenyl-λ5-phosphanylidene)amino]phenyl]methyl]methanamine.

Molecular Properties

Compound Name1-[5-methyl-2-[(triphenyl-λ5-phosphanylidene)amino]phenyl]-N-[[5-methyl-2-[(triphenyl-λ5-phosphanylidene)amino]phenyl]methyl]methanamine
PubChem CID10417758
Molecular FormulaC52H47N3P2
Molecular Weight775.92 g/mol
Exact Mass775.32
IUPAC Name1-[5-methyl-2-[(triphenyl-λ5-phosphanylidene)amino]phenyl]-N-[[5-methyl-2-[(triphenyl-λ5-phosphanylidene)amino]phenyl]methyl]methanamine
SMILESCc1ccc(N=P(c2ccccc2)(c2ccccc2)c2ccccc2)c(CNCc2cc(C)ccc2N=P(c2ccccc2)(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C52H47N3P2/c1-41-33-35-51(54-56(45-21-9-3-10-22-45,46-23-11-4-12-24-46)47-25-13-5-14-26-47)43(37-41)39-53-40-44-38-42(2)34-36-52(44)55-57(48-27-15-6-16-28-48,49-29-17-7-18-30-49)50-31-19-8-20-32-50/h3-38,53H,39-40H2,1-2H3
InChIKeyIDJMDNXMZMGXHP-UHFFFAOYSA-N
XLogP11.21
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500775.92
LogP ≤ 511.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

O-ethyl [5-methyl-2-[(triphenyl-λ5-phosphanylidene)amino]phenyl]methylsulfanylmethanethioate
CID 101236467
[2-(dimethoxymethyl)-4-methylphenyl]imino-triphenyl-λ5-phosphane
CID 71531095
2-[(benzylamino)methyl]-4-methylaniline
CID 12628937
[2-methoxy-4-[(triphenyl-λ5-phosphanylidene)amino]phenyl]imino-triphenyl-λ5-phosphane
CID 89330602
2-[[(2-chlorophenyl)methylamino]methyl]-4-methylphenol
CID 63323116
1-(2-chloro-4-methylphenyl)-N-[(2-ethylphenyl)methyl]methanamine
CID 106862733
4-methyl-2-[[(2-methyl-2-phenylpropyl)amino]methyl]phenol
CID 63324952
N-[[5-methyl-2-(2-phenylethoxy)phenyl]methyl]propan-1-amine
CID 63486581
N-[(2-methoxy-5-methylphenyl)methyl]-1-(2,4,5-trimethoxyphenyl)methanamine
CID 46823346
1-(4-methylphenyl)-N-[(2-methylphenyl)methyl]methanamine
CID 4724057
benzylimino-tris(4-methylphenyl)-λ5-phosphane
CID 101456500
N-[(2-fluoro-5-methylphenyl)methyl]ethanamine
CID 61033867

Frequently Asked Questions

What is the IUPAC name of 1-[5-methyl-2-[(triphenyl-λ5-phosphanylidene)amino]phenyl]-N-[[5-methyl-2-[(triphenyl-λ5-phosphanylidene)amino]phenyl]methyl]methanamine?
The IUPAC name of 1-[5-methyl-2-[(triphenyl-λ5-phosphanylidene)amino]phenyl]-N-[[5-methyl-2-[(triphenyl-λ5-phosphanylidene)amino]phenyl]methyl]methanamine (CID 10417758) is 1-[5-methyl-2-[(triphenyl-λ5-phosphanylidene)amino]phenyl]-N-[[5-methyl-2-[(triphenyl-λ5-phosphanylidene)amino]phenyl]methyl]methanamine.
What is the SMILES notation for 1-[5-methyl-2-[(triphenyl-λ5-phosphanylidene)amino]phenyl]-N-[[5-methyl-2-[(triphenyl-λ5-phosphanylidene)amino]phenyl]methyl]methanamine?
The canonical SMILES for 1-[5-methyl-2-[(triphenyl-λ5-phosphanylidene)amino]phenyl]-N-[[5-methyl-2-[(triphenyl-λ5-phosphanylidene)amino]phenyl]methyl]methanamine is Cc1ccc(N=P(c2ccccc2)(c2ccccc2)c2ccccc2)c(CNCc2cc(C)ccc2N=P(c2ccccc2)(c2ccccc2)c2ccccc2)c1.
What is the InChIKey of 1-[5-methyl-2-[(triphenyl-λ5-phosphanylidene)amino]phenyl]-N-[[5-methyl-2-[(triphenyl-λ5-phosphanylidene)amino]phenyl]methyl]methanamine?
The InChIKey is IDJMDNXMZMGXHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H47N3P2/c1-41-33-35-51(54-56(45-21-9-3-10-22-45,46-23-11-4-12-24-46)47-25-13-5-14-26-47)43(37-41)39-53-40-44-38-42(2)34-36-52(44)55-57(48-27-15-6-16-28-48,49-29-17-7-18-30-49)50-31-19-8-20-32-50/h3-38,53H,39-40H2,1-2H3.
What are the key properties of 1-[5-methyl-2-[(triphenyl-λ5-phosphanylidene)amino]phenyl]-N-[[5-methyl-2-[(triphenyl-λ5-phosphanylidene)amino]phenyl]methyl]methanamine?
1-[5-methyl-2-[(triphenyl-λ5-phosphanylidene)amino]phenyl]-N-[[5-methyl-2-[(triphenyl-λ5-phosphanylidene)amino]phenyl]methyl]methanamine has a molecular weight of 775.92 g/mol, XLogP of 11.21, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-methyl-2-[(triphenyl-λ5-phosphanylidene)amino]phenyl]-N-[[5-methyl-2-[(triphenyl-λ5-phosphanylidene)amino]phenyl]methyl]methanamine is sourced from PubChem (CID 10417758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).