N-dimethoxyphosphanyl-N-[(N-dimethoxyphosphanylanilino)-phenylphosphanyl]aniline

C22H27N2O4P3 — CID 102311541

IUPACN-dimethoxyphosphanyl-N-[(N-dimethoxyphosphanylanilino)-phenylphosphanyl]aniline
SMILESCOP(OC)N(c1ccccc1)P(c1ccccc1)N(c1ccccc1)P(OC)OC
InChIInChI=1S/C22H27N2O4P3/c1-25-30(26-2)23(20-14-8-5-9-15-20)29(22-18-12-7-13-19-22)24(31(27-3)28-4)21-16-10-6-11-17-21/h5-19H,1-4H3
InChIKeyWQDGDZYPPJBCQK-UHFFFAOYSA-N
MW476.39 g/mol
LogP6.68
Rot. Bonds11

About N-dimethoxyphosphanyl-N-[(N-dimethoxyphosphanylanilino)-phenylphosphanyl]aniline

N-dimethoxyphosphanyl-N-[(N-dimethoxyphosphanylanilino)-phenylphosphanyl]aniline (PubChem CID 102311541) has the molecular formula C22H27N2O4P3 and a molecular weight of 476.39 g/mol. Its IUPAC name is N-dimethoxyphosphanyl-N-[(N-dimethoxyphosphanylanilino)-phenylphosphanyl]aniline.

Molecular Properties

Compound NameN-dimethoxyphosphanyl-N-[(N-dimethoxyphosphanylanilino)-phenylphosphanyl]aniline
PubChem CID102311541
Molecular FormulaC22H27N2O4P3
Molecular Weight476.39 g/mol
Exact Mass476.12
IUPAC NameN-dimethoxyphosphanyl-N-[(N-dimethoxyphosphanylanilino)-phenylphosphanyl]aniline
SMILESCOP(OC)N(c1ccccc1)P(c1ccccc1)N(c1ccccc1)P(OC)OC
InChIInChI=1S/C22H27N2O4P3/c1-25-30(26-2)23(20-14-8-5-9-15-20)29(22-18-12-7-13-19-22)24(31(27-3)28-4)21-16-10-6-11-17-21/h5-19H,1-4H3
InChIKeyWQDGDZYPPJBCQK-UHFFFAOYSA-N
XLogP6.68
TPSA43.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.39
LogP ≤ 56.68
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

1-N,1-N,4-N,4-N-tetrakis(diphenylphosphanyl)benzene-1,4-diamine
CID 11423026
bis(dimethylsilyl)-phenylphosphane
CID 173178751
CID 137251454
CID 137251454
N-methyl-N-[(N-methylanilino)-phenylphosphanyl]-N'-phenyl-N'-propan-2-ylmethanediamine
CID 130232152
4-[4-[bis(diphenylphosphanyl)amino]phenoxy]-N,N-bis(diphenylphosphanyl)aniline
CID 118584651
ethane;bis(N-methyl-N-phenylaniline)
CID 160716887
N,N-bis(diphenylphosphanyl)-3,4-dimethoxyaniline
CID 101498808
methoxymethyl(diphenyl)phosphane
CID 819497
N-iodo-N-methoxyaniline
CID 142027982
ethene;N-methyl-N-phenylaniline
CID 144541479
[methyl(phenyl)phosphanyl]boranuide
CID 102383944
[(1S,2S,3R,4R,5R,6R)-2-diphenylphosphanyloxy-3,4,5,6-tetramethoxycyclohexyl]oxy-diphenylphosphane
CID 102574776

Frequently Asked Questions

What is the IUPAC name of N-dimethoxyphosphanyl-N-[(N-dimethoxyphosphanylanilino)-phenylphosphanyl]aniline?
The IUPAC name of N-dimethoxyphosphanyl-N-[(N-dimethoxyphosphanylanilino)-phenylphosphanyl]aniline (CID 102311541) is N-dimethoxyphosphanyl-N-[(N-dimethoxyphosphanylanilino)-phenylphosphanyl]aniline.
What is the SMILES notation for N-dimethoxyphosphanyl-N-[(N-dimethoxyphosphanylanilino)-phenylphosphanyl]aniline?
The canonical SMILES for N-dimethoxyphosphanyl-N-[(N-dimethoxyphosphanylanilino)-phenylphosphanyl]aniline is COP(OC)N(c1ccccc1)P(c1ccccc1)N(c1ccccc1)P(OC)OC.
What is the InChIKey of N-dimethoxyphosphanyl-N-[(N-dimethoxyphosphanylanilino)-phenylphosphanyl]aniline?
The InChIKey is WQDGDZYPPJBCQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N2O4P3/c1-25-30(26-2)23(20-14-8-5-9-15-20)29(22-18-12-7-13-19-22)24(31(27-3)28-4)21-16-10-6-11-17-21/h5-19H,1-4H3.
What are the key properties of N-dimethoxyphosphanyl-N-[(N-dimethoxyphosphanylanilino)-phenylphosphanyl]aniline?
N-dimethoxyphosphanyl-N-[(N-dimethoxyphosphanylanilino)-phenylphosphanyl]aniline has a molecular weight of 476.39 g/mol, XLogP of 6.68, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-dimethoxyphosphanyl-N-[(N-dimethoxyphosphanylanilino)-phenylphosphanyl]aniline is sourced from PubChem (CID 102311541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).