4-[[4-(dimethylamino)phenoxy]-[4-(dimethylamino)phenyl]phosphoryl]oxy-N,N-dimethylaniline

C24H30N3O3P — CID 91873134

IUPAC4-[[4-(dimethylamino)phenoxy]-[4-(dimethylamino)phenyl]phosphoryl]oxy-N,N-dimethylaniline
SMILESCN(C)c1ccc(OP(=O)(Oc2ccc(N(C)C)cc2)c2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C24H30N3O3P/c1-25(2)19-7-13-22(14-8-19)29-31(28,24-17-11-21(12-18-24)27(5)6)30-23-15-9-20(10-16-23)26(3)4/h7-18H,1-6H3
InChIKeyLYGBAEDPJPZENF-UHFFFAOYSA-N
MW439.50 g/mol
LogP4.86
Rot. Bonds8

About 4-[[4-(dimethylamino)phenoxy]-[4-(dimethylamino)phenyl]phosphoryl]oxy-N,N-dimethylaniline

4-[[4-(dimethylamino)phenoxy]-[4-(dimethylamino)phenyl]phosphoryl]oxy-N,N-dimethylaniline (PubChem CID 91873134) has the molecular formula C24H30N3O3P and a molecular weight of 439.50 g/mol. Its IUPAC name is 4-[[4-(dimethylamino)phenoxy]-[4-(dimethylamino)phenyl]phosphoryl]oxy-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[[4-(dimethylamino)phenoxy]-[4-(dimethylamino)phenyl]phosphoryl]oxy-N,N-dimethylaniline
PubChem CID91873134
Molecular FormulaC24H30N3O3P
Molecular Weight439.50 g/mol
Exact Mass439.20
IUPAC Name4-[[4-(dimethylamino)phenoxy]-[4-(dimethylamino)phenyl]phosphoryl]oxy-N,N-dimethylaniline
SMILESCN(C)c1ccc(OP(=O)(Oc2ccc(N(C)C)cc2)c2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C24H30N3O3P/c1-25(2)19-7-13-22(14-8-19)29-31(28,24-17-11-21(12-18-24)27(5)6)30-23-15-9-20(10-16-23)26(3)4/h7-18H,1-6H3
InChIKeyLYGBAEDPJPZENF-UHFFFAOYSA-N
XLogP4.86
TPSA45.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.50
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

bis(4-bis[4-(dimethylamino)phenyl]phosphoryl-N,N-dimethylaniline);tetrachlorostannane
CID 6102147
O-[4-(dimethylamino)phenyl]hydroxylamine
CID 54014409
[4-(dimethylamino)phenyl] formate
CID 54158989
[4-(dimethylamino)phenyl] acetate
CID 586356
phenyl-[4-[phenyl-(4-phenyldiazenylphenoxy)phosphoryl]oxyphenyl]diazene
CID 155046277
4-ethoxy-N,N-dimethylaniline
CID 3624890
4-N,4-N-bis(4-methoxyphenyl)-1-N,1-N-dimethylbenzene-1,4-diamine
CID 70476118
4-bis[4-(dimethylamino)phenyl]phosphoryl-N,N,3-trimethylaniline
CID 143644773
4-[4-bis[4-(dimethylamino)phenyl]phosphorylbutyl-(4-methylphenyl)phosphoryl]-N,N-dimethylaniline
CID 10995607
1-diphenoxyphosphoryl-4-ethynylbenzene
CID 141456920
[4-(dimethylamino)phenyl] cyanate
CID 143832425
(S)-[[4-(dimethylamino)phenyl]-propoxyphosphoryl]-(4-methoxyphenyl)methanol
CID 11863087

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(dimethylamino)phenoxy]-[4-(dimethylamino)phenyl]phosphoryl]oxy-N,N-dimethylaniline?
The IUPAC name of 4-[[4-(dimethylamino)phenoxy]-[4-(dimethylamino)phenyl]phosphoryl]oxy-N,N-dimethylaniline (CID 91873134) is 4-[[4-(dimethylamino)phenoxy]-[4-(dimethylamino)phenyl]phosphoryl]oxy-N,N-dimethylaniline.
What is the SMILES notation for 4-[[4-(dimethylamino)phenoxy]-[4-(dimethylamino)phenyl]phosphoryl]oxy-N,N-dimethylaniline?
The canonical SMILES for 4-[[4-(dimethylamino)phenoxy]-[4-(dimethylamino)phenyl]phosphoryl]oxy-N,N-dimethylaniline is CN(C)c1ccc(OP(=O)(Oc2ccc(N(C)C)cc2)c2ccc(N(C)C)cc2)cc1.
What is the InChIKey of 4-[[4-(dimethylamino)phenoxy]-[4-(dimethylamino)phenyl]phosphoryl]oxy-N,N-dimethylaniline?
The InChIKey is LYGBAEDPJPZENF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N3O3P/c1-25(2)19-7-13-22(14-8-19)29-31(28,24-17-11-21(12-18-24)27(5)6)30-23-15-9-20(10-16-23)26(3)4/h7-18H,1-6H3.
What are the key properties of 4-[[4-(dimethylamino)phenoxy]-[4-(dimethylamino)phenyl]phosphoryl]oxy-N,N-dimethylaniline?
4-[[4-(dimethylamino)phenoxy]-[4-(dimethylamino)phenyl]phosphoryl]oxy-N,N-dimethylaniline has a molecular weight of 439.50 g/mol, XLogP of 4.86, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(dimethylamino)phenoxy]-[4-(dimethylamino)phenyl]phosphoryl]oxy-N,N-dimethylaniline is sourced from PubChem (CID 91873134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).