4-bis[4-(dimethylamino)phenyl]phosphoryl-N,N,3-trimethylaniline

C25H32N3OP — CID 143644773

IUPAC4-bis[4-(dimethylamino)phenyl]phosphoryl-N,N,3-trimethylaniline
SMILESCc1cc(N(C)C)ccc1P(=O)(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1
InChIInChI=1S/C25H32N3OP/c1-19-18-22(28(6)7)12-17-25(19)30(29,23-13-8-20(9-14-23)26(2)3)24-15-10-21(11-16-24)27(4)5/h8-18H,1-7H3
InChIKeyNGHRHYNZGAWHGT-UHFFFAOYSA-N
MW421.53 g/mol
LogP3.83
Rot. Bonds6

About 4-bis[4-(dimethylamino)phenyl]phosphoryl-N,N,3-trimethylaniline

4-bis[4-(dimethylamino)phenyl]phosphoryl-N,N,3-trimethylaniline (PubChem CID 143644773) has the molecular formula C25H32N3OP and a molecular weight of 421.53 g/mol. Its IUPAC name is 4-bis[4-(dimethylamino)phenyl]phosphoryl-N,N,3-trimethylaniline.

Molecular Properties

Compound Name4-bis[4-(dimethylamino)phenyl]phosphoryl-N,N,3-trimethylaniline
PubChem CID143644773
Molecular FormulaC25H32N3OP
Molecular Weight421.53 g/mol
Exact Mass421.23
IUPAC Name4-bis[4-(dimethylamino)phenyl]phosphoryl-N,N,3-trimethylaniline
SMILESCc1cc(N(C)C)ccc1P(=O)(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1
InChIInChI=1S/C25H32N3OP/c1-19-18-22(28(6)7)12-17-25(19)30(29,23-13-8-20(9-14-23)26(2)3)24-15-10-21(11-16-24)27(4)5/h8-18H,1-7H3
InChIKeyNGHRHYNZGAWHGT-UHFFFAOYSA-N
XLogP3.83
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.53
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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
N,N,3,4-tetramethylaniline
CID 12595466
3-iodo-N,N,4-trimethylaniline
CID 68650106
4-[4-bis[4-(dimethylamino)phenyl]phosphorylbutyl-(4-methylphenyl)phosphoryl]-N,N-dimethylaniline
CID 10995607
4-[[4-(dimethylamino)phenoxy]-[4-(dimethylamino)phenyl]phosphoryl]oxy-N,N-dimethylaniline
CID 91873134
4-[[4-(dimethylamino)phenyl]-[di(propan-2-yl)amino]phosphoryl]-3-diphenylphosphanyl-N,N-dimethylaniline
CID 101490463
4-[(dimethylhydrazinylidene)methyl]-N,N,3-trimethylaniline
CID 59931546
4-(chloromethyl)-N,N,3-trimethylaniline
CID 62130656
1,2-bis[bis(4-methylphenyl)phosphoryl]benzene
CID 139462616
3-chloro-N,N,4-trimethylaniline
CID 12637287
sodium;[4-(dimethylamino)-2-methylphenyl]-oxido-oxophosphanium;trihydrate
CID 72710645
1-[4-(dimethylamino)-2-methylphenyl]-2,2-dimethylpropan-1-one
CID 23385530

Frequently Asked Questions

What is the IUPAC name of 4-bis[4-(dimethylamino)phenyl]phosphoryl-N,N,3-trimethylaniline?
The IUPAC name of 4-bis[4-(dimethylamino)phenyl]phosphoryl-N,N,3-trimethylaniline (CID 143644773) is 4-bis[4-(dimethylamino)phenyl]phosphoryl-N,N,3-trimethylaniline.
What is the SMILES notation for 4-bis[4-(dimethylamino)phenyl]phosphoryl-N,N,3-trimethylaniline?
The canonical SMILES for 4-bis[4-(dimethylamino)phenyl]phosphoryl-N,N,3-trimethylaniline is Cc1cc(N(C)C)ccc1P(=O)(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1.
What is the InChIKey of 4-bis[4-(dimethylamino)phenyl]phosphoryl-N,N,3-trimethylaniline?
The InChIKey is NGHRHYNZGAWHGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N3OP/c1-19-18-22(28(6)7)12-17-25(19)30(29,23-13-8-20(9-14-23)26(2)3)24-15-10-21(11-16-24)27(4)5/h8-18H,1-7H3.
What are the key properties of 4-bis[4-(dimethylamino)phenyl]phosphoryl-N,N,3-trimethylaniline?
4-bis[4-(dimethylamino)phenyl]phosphoryl-N,N,3-trimethylaniline has a molecular weight of 421.53 g/mol, XLogP of 3.83, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bis[4-(dimethylamino)phenyl]phosphoryl-N,N,3-trimethylaniline is sourced from PubChem (CID 143644773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).