N-[iodo-tris(N-methylanilino)-lambda5-phosphanyl]-N-methylaniline

C28H32IN4P — CID 2784141

IUPACN-[iodo-tris(N-methylanilino)-lambda5-phosphanyl]-N-methylaniline
SMILESCN(c1ccccc1)P(I)(N(C)c1ccccc1)(N(C)c1ccccc1)N(C)c1ccccc1
InChIInChI=1S/C28H32IN4P/c1-30(25-17-9-5-10-18-25)34(29,31(2)26-19-11-6-12-20-26,32(3)27-21-13-7-14-22-27)33(4)28-23-15-8-16-24-28/h5-24H,1-4H3
InChIKeyQKQBEPLUJULBCL-UHFFFAOYSA-N
MW582.47 g/mol
LogP8.10
Rot. Bonds8

About N-[iodo-tris(N-methylanilino)-lambda5-phosphanyl]-N-methylaniline

N-[iodo-tris(N-methylanilino)-lambda5-phosphanyl]-N-methylaniline (PubChem CID 2784141) has the molecular formula C28H32IN4P and a molecular weight of 582.47 g/mol. Its IUPAC name is N-[iodo-tris(N-methylanilino)-lambda5-phosphanyl]-N-methylaniline.

Molecular Properties

Compound NameN-[iodo-tris(N-methylanilino)-lambda5-phosphanyl]-N-methylaniline
PubChem CID2784141
Molecular FormulaC28H32IN4P
Molecular Weight582.47 g/mol
Exact Mass582.14
IUPAC NameN-[iodo-tris(N-methylanilino)-lambda5-phosphanyl]-N-methylaniline
SMILESCN(c1ccccc1)P(I)(N(C)c1ccccc1)(N(C)c1ccccc1)N(C)c1ccccc1
InChIInChI=1S/C28H32IN4P/c1-30(25-17-9-5-10-18-25)34(29,31(2)26-19-11-6-12-20-26,32(3)27-21-13-7-14-22-27)33(4)28-23-15-8-16-24-28/h5-24H,1-4H3
InChIKeyQKQBEPLUJULBCL-UHFFFAOYSA-N
XLogP8.10
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500582.47
LogP ≤ 58.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethylaniline
CID 70392672
CID 69241188
CID 69241188
N,N-dimethylaniline;mercury
CID 158660084
N,N-dimethylaniline;hydrofluoride
CID 160775229
N,N-dimethylaniline;hydron
CID 174471199
N,N-dimethylaniline;nickel
CID 158294400
ethane;bis(N-methyl-N-phenylaniline)
CID 160716887
N,N-dimethylaniline;osmium(4+)
CID 172845967
N,N-dimethylaniline;methanol
CID 143205399
ethene;N-methyl-N-phenylaniline
CID 144541479
(N-methylanilino)phosphanium
CID 163691673
(N-methylanilino)azanide
CID 163517581

Frequently Asked Questions

What is the IUPAC name of N-[iodo-tris(N-methylanilino)-lambda5-phosphanyl]-N-methylaniline?
The IUPAC name of N-[iodo-tris(N-methylanilino)-lambda5-phosphanyl]-N-methylaniline (CID 2784141) is N-[iodo-tris(N-methylanilino)-lambda5-phosphanyl]-N-methylaniline.
What is the SMILES notation for N-[iodo-tris(N-methylanilino)-lambda5-phosphanyl]-N-methylaniline?
The canonical SMILES for N-[iodo-tris(N-methylanilino)-lambda5-phosphanyl]-N-methylaniline is CN(c1ccccc1)P(I)(N(C)c1ccccc1)(N(C)c1ccccc1)N(C)c1ccccc1.
What is the InChIKey of N-[iodo-tris(N-methylanilino)-lambda5-phosphanyl]-N-methylaniline?
The InChIKey is QKQBEPLUJULBCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32IN4P/c1-30(25-17-9-5-10-18-25)34(29,31(2)26-19-11-6-12-20-26,32(3)27-21-13-7-14-22-27)33(4)28-23-15-8-16-24-28/h5-24H,1-4H3.
What are the key properties of N-[iodo-tris(N-methylanilino)-lambda5-phosphanyl]-N-methylaniline?
N-[iodo-tris(N-methylanilino)-lambda5-phosphanyl]-N-methylaniline has a molecular weight of 582.47 g/mol, XLogP of 8.10, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[iodo-tris(N-methylanilino)-lambda5-phosphanyl]-N-methylaniline is sourced from PubChem (CID 2784141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).