N,N-bis(diphenylphosphanyl)-2,5-dimethylaniline

C32H29NP2 — CID 102327336

IUPACN,N-bis(diphenylphosphanyl)-2,5-dimethylaniline
SMILESCc1ccc(C)c(N(P(c2ccccc2)c2ccccc2)P(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C32H29NP2/c1-26-23-24-27(2)32(25-26)33(34(28-15-7-3-8-16-28)29-17-9-4-10-18-29)35(30-19-11-5-12-20-30)31-21-13-6-14-22-31/h3-25H,1-2H3
InChIKeyQJSFUZZAEOVTQI-UHFFFAOYSA-N
MW489.54 g/mol
LogP7.21
Rot. Bonds7

About N,N-bis(diphenylphosphanyl)-2,5-dimethylaniline

N,N-bis(diphenylphosphanyl)-2,5-dimethylaniline (PubChem CID 102327336) has the molecular formula C32H29NP2 and a molecular weight of 489.54 g/mol. Its IUPAC name is N,N-bis(diphenylphosphanyl)-2,5-dimethylaniline.

Molecular Properties

Compound NameN,N-bis(diphenylphosphanyl)-2,5-dimethylaniline
PubChem CID102327336
Molecular FormulaC32H29NP2
Molecular Weight489.54 g/mol
Exact Mass489.18
IUPAC NameN,N-bis(diphenylphosphanyl)-2,5-dimethylaniline
SMILESCc1ccc(C)c(N(P(c2ccccc2)c2ccccc2)P(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C32H29NP2/c1-26-23-24-27(2)32(25-26)33(34(28-15-7-3-8-16-28)29-17-9-4-10-18-29)35(30-19-11-5-12-20-30)31-21-13-6-14-22-31/h3-25H,1-2H3
InChIKeyQJSFUZZAEOVTQI-UHFFFAOYSA-N
XLogP7.21
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.54
LogP ≤ 57.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

bis(2,4-dimethylphenyl)-phenylphosphane
CID 12046948
4-[[4-[bis(diphenylphosphanyl)amino]-3-methylphenyl]methyl]-N-diphenylphosphanyl-N,2-dimethylaniline
CID 118581524
N-benzyl-N,2,5-trimethylaniline
CID 15439716
2,5-dimethyl-N-(3-methylphenyl)-N-phenylaniline
CID 58932053
1-N,1-N,4-N,4-N-tetrakis(diphenylphosphanyl)benzene-1,4-diamine
CID 11423026
2,5-dimethyl-N-(2-methylphenyl)-N-propan-2-ylaniline
CID 162714206
N,N-bis(2,5-dimethylphenyl)-2,6-dimethylaniline
CID 164803656
1-chloro-1-(2,5-dimethylphenyl)hydrazine
CID 88866189
10-N,18-N-bis(2,5-dimethylphenyl)-10-N,18-N-diphenyl-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2,4,6,8,10,12(27),13,15,17,19,21,23,25-tridecaene-10,18-diamine
CID 146376358
N'-benzyl-N'-(2,5-dimethylphenyl)ethane-1,2-diamine
CID 39357128
N-(2,5-dimethylphenyl)-N,2,4,6-tetramethylaniline
CID 134561467
N,N-bis(diphenylphosphanyl)-2,3-dihydro-1H-inden-4-amine
CID 118876038

Frequently Asked Questions

What is the IUPAC name of N,N-bis(diphenylphosphanyl)-2,5-dimethylaniline?
The IUPAC name of N,N-bis(diphenylphosphanyl)-2,5-dimethylaniline (CID 102327336) is N,N-bis(diphenylphosphanyl)-2,5-dimethylaniline.
What is the SMILES notation for N,N-bis(diphenylphosphanyl)-2,5-dimethylaniline?
The canonical SMILES for N,N-bis(diphenylphosphanyl)-2,5-dimethylaniline is Cc1ccc(C)c(N(P(c2ccccc2)c2ccccc2)P(c2ccccc2)c2ccccc2)c1.
What is the InChIKey of N,N-bis(diphenylphosphanyl)-2,5-dimethylaniline?
The InChIKey is QJSFUZZAEOVTQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H29NP2/c1-26-23-24-27(2)32(25-26)33(34(28-15-7-3-8-16-28)29-17-9-4-10-18-29)35(30-19-11-5-12-20-30)31-21-13-6-14-22-31/h3-25H,1-2H3.
What are the key properties of N,N-bis(diphenylphosphanyl)-2,5-dimethylaniline?
N,N-bis(diphenylphosphanyl)-2,5-dimethylaniline has a molecular weight of 489.54 g/mol, XLogP of 7.21, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(diphenylphosphanyl)-2,5-dimethylaniline is sourced from PubChem (CID 102327336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).