2-[bis[2-(dimethylamino)phenyl]phosphanylmethyl-[2-(dimethylamino)phenyl]phosphanyl]-N,N-dimethylaniline

C33H42N4P2 — CID 11286232

IUPAC2-[bis[2-(dimethylamino)phenyl]phosphanylmethyl-[2-(dimethylamino)phenyl]phosphanyl]-N,N-dimethylaniline
SMILESCN(C)c1ccccc1P(CP(c1ccccc1N(C)C)c1ccccc1N(C)C)c1ccccc1N(C)C
InChIInChI=1S/C33H42N4P2/c1-34(2)26-17-9-13-21-30(26)38(31-22-14-10-18-27(31)35(3)4)25-39(32-23-15-11-19-28(32)36(5)6)33-24-16-12-20-29(33)37(7)8/h9-24H,25H2,1-8H3
InChIKeyUMLMWIWMDRHVID-UHFFFAOYSA-N
MW556.68 g/mol
LogP5.47
Rot. Bonds10

About 2-[bis[2-(dimethylamino)phenyl]phosphanylmethyl-[2-(dimethylamino)phenyl]phosphanyl]-N,N-dimethylaniline

2-[bis[2-(dimethylamino)phenyl]phosphanylmethyl-[2-(dimethylamino)phenyl]phosphanyl]-N,N-dimethylaniline (PubChem CID 11286232) has the molecular formula C33H42N4P2 and a molecular weight of 556.68 g/mol. Its IUPAC name is 2-[bis[2-(dimethylamino)phenyl]phosphanylmethyl-[2-(dimethylamino)phenyl]phosphanyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name2-[bis[2-(dimethylamino)phenyl]phosphanylmethyl-[2-(dimethylamino)phenyl]phosphanyl]-N,N-dimethylaniline
PubChem CID11286232
Molecular FormulaC33H42N4P2
Molecular Weight556.68 g/mol
Exact Mass556.29
IUPAC Name2-[bis[2-(dimethylamino)phenyl]phosphanylmethyl-[2-(dimethylamino)phenyl]phosphanyl]-N,N-dimethylaniline
SMILESCN(C)c1ccccc1P(CP(c1ccccc1N(C)C)c1ccccc1N(C)C)c1ccccc1N(C)C
InChIInChI=1S/C33H42N4P2/c1-34(2)26-17-9-13-21-30(26)38(31-22-14-10-18-27(31)35(3)4)25-39(32-23-15-11-19-28(32)36(5)6)33-24-16-12-20-29(33)37(7)8/h9-24H,25H2,1-8H3
InChIKeyUMLMWIWMDRHVID-UHFFFAOYSA-N
XLogP5.47
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.68
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[bis[2-(dimethylamino)phenyl]phosphanylmethyl-[2-(dimethylamino)phenyl]phosphanyl]-N,N-dimethylaniline?
The IUPAC name of 2-[bis[2-(dimethylamino)phenyl]phosphanylmethyl-[2-(dimethylamino)phenyl]phosphanyl]-N,N-dimethylaniline (CID 11286232) is 2-[bis[2-(dimethylamino)phenyl]phosphanylmethyl-[2-(dimethylamino)phenyl]phosphanyl]-N,N-dimethylaniline.
What is the SMILES notation for 2-[bis[2-(dimethylamino)phenyl]phosphanylmethyl-[2-(dimethylamino)phenyl]phosphanyl]-N,N-dimethylaniline?
The canonical SMILES for 2-[bis[2-(dimethylamino)phenyl]phosphanylmethyl-[2-(dimethylamino)phenyl]phosphanyl]-N,N-dimethylaniline is CN(C)c1ccccc1P(CP(c1ccccc1N(C)C)c1ccccc1N(C)C)c1ccccc1N(C)C.
What is the InChIKey of 2-[bis[2-(dimethylamino)phenyl]phosphanylmethyl-[2-(dimethylamino)phenyl]phosphanyl]-N,N-dimethylaniline?
The InChIKey is UMLMWIWMDRHVID-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H42N4P2/c1-34(2)26-17-9-13-21-30(26)38(31-22-14-10-18-27(31)35(3)4)25-39(32-23-15-11-19-28(32)36(5)6)33-24-16-12-20-29(33)37(7)8/h9-24H,25H2,1-8H3.
What are the key properties of 2-[bis[2-(dimethylamino)phenyl]phosphanylmethyl-[2-(dimethylamino)phenyl]phosphanyl]-N,N-dimethylaniline?
2-[bis[2-(dimethylamino)phenyl]phosphanylmethyl-[2-(dimethylamino)phenyl]phosphanyl]-N,N-dimethylaniline has a molecular weight of 556.68 g/mol, XLogP of 5.47, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis[2-(dimethylamino)phenyl]phosphanylmethyl-[2-(dimethylamino)phenyl]phosphanyl]-N,N-dimethylaniline is sourced from PubChem (CID 11286232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).